0  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [0,0,0,0,0,0|4,0,0]=4
1  B3R0.1  [2H]C[*]O HY-D2582 [1,0,0,0,0,0|2,0,1]=4
2  B3R0.1  [2H][*][*]C HY-D1742 [1,0,0,0,0,0|3,0,0]=4
3  B3R0.2  CC(=O)O HY-P0060A [1,0,0,0,0,0|1,0,1]=3
4  B3R0.2  CS(C)=O HY-Y0320GL [1,0,0,0,0,0|1,0,0]=2
5  B5R0.1  CC(F)CCN HY-W049770 [0,1,0,0,0,0|2,0,1]=4
6  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [0,1,0,0,0,0|1,0,0]=2
7  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.5  O=[N+]([O-])C(Cl)Br HY-133636 [0,1,0,0,0,0|3,0,0]=4
9  B2R0.1  C[*]S HY-164763 [2,0,0,0,0,0|1,1,0]=4
10  B2R0.1  N[13CH]=O HY-Y0842S [2,0,0,0,0,0|1,0,0]=3
11  B2R0.1  O=C=O HY-W782399 [2,0,0,0,0,0|1,0,1]=4
12  B2R0.1  [*]OC HY-164202 [2,0,0,0,0,0|2,0,0]=4
13  B2R0.1  [3H][*]C HY-P991180 [2,0,0,0,0,0|2,0,0]=4
14  B4R0.2  N#CCCN HY-Y1750 [1,1,0,0,0,0|1,0,1]=4
15  B4R0.3  C[15N+](C)(C)[O-] HY-W722562 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.3  NC(CS)C(=O)O HY-W012850 [0,2,0,0,0,0|1,0,0]=3
17  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,2,0,0,0,0|1,0,0]=3
18  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,2,0,0,0,0|1,0,0]=3
20  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [0,2,0,0,0,0|1,0,0]=3
21  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [0,2,0,0,0,0|1,0,0]=3
22  B6R0.3  [13CH3]C(=O)C(=O)O[Na] HY-W015913S3 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.3  [13CH3][13C@H](O)[13C](=O)O[Na] HY-Y0479AS [0,2,0,0,0,0|1,0,0]=3
24  B6R0.3  [13CH3][13C](=O)[13C](=O)O[Na] HY-W015913S [0,2,0,0,0,0|1,0,1]=4
25  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [0,2,0,0,0,0|1,0,0]=3
27  B6R0.7  NC(=O)C(Cl)(Br)Br HY-133664 [0,2,0,0,0,0|2,0,0]=4