0  B4R0.2  N#CCCN HY-Y1750 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.3  NC(CS)C(=O)O HY-W012850 [0,1,0,0,0,0|1,1,1]=4
2  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,1,0,0,0,0|1,0,1]=3
3  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [0,1,0,0,0,0|1,1,1]=4
4  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,1,0,0,0,0|1,0,1]=3
5  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [0,1,0,0,0,0|1,1,1]=4
6  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [0,1,0,0,0,0|1,1,1]=4
7  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,1,0,0,0,0|1,0,1]=3
8  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [0,1,0,0,0,0|1,1,1]=4
9  B6R1.8  CC1OC1CO HY-W310318 [0,0,0,1,0,0|1,0,0]=2
10  B3R0.1  [2H]C[*]O HY-D2582 [2,0,0,0,0,0|2,0,0]=4
11  B3R0.2  CC(=O)O HY-P0060A [2,0,0,0,0,0|0,0,2]=4
12  B3R0.2  CS(C)=O HY-Y0320GL [2,0,0,0,0,0|1,0,1]=4
13  B5R0.1  CC(F)CCN HY-W049770 [1,1,0,0,0,0|2,0,0]=4
14  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [1,1,0,0,0,0|0,0,1]=3
15  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [1,1,0,0,0,0|1,0,1]=4
16  B5R0.5  OC(O)C(Cl)Cl HY-W154117 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,2,0,0,0,0|1,0,0]=3
18  B7R0.7  OCCC(O)CCO HY-W358956 [0,2,0,0,0,0|0,0,0]=2
19  B7R0.10  O=C(O[Na])[C@@H](O)CO HY-113377A [0,2,0,0,0,0|0,0,1]=3
20  B7R0.10  O=C[C@@H](O)[C@H](O)[13CH2]O HY-W012864S2 [0,2,0,0,0,0|0,0,0]=2
21  B7R0.16  CC(C)[C@H](O)C(=O)O HY-30217 [0,2,0,0,0,0|1,0,1]=4