0  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [1,0,0,0,0,0|2,0,1]=4
1  B4R0.1  O=[N+]([O-])CCl HY-133631 [1,0,0,0,0,0|3,0,0]=4
2  B4R0.2  N#CCCN HY-Y1750 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.3  NC(CS)C(=O)O HY-W012850 [0,1,0,0,0,0|2,0,0]=3
4  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [0,1,0,0,0,0|2,0,0]=3
9  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,1,0,0,0,0|2,0,0]=3
10  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [0,1,0,0,0,0|2,0,0]=3
11  B6R1.8  CC1OC1CO HY-W310318 [0,0,0,1,0,0|1,0,2]=4
12  B3R0.2  CC(=O)O HY-P0060A [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CS(C)=O HY-Y0320GL [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  CC(F)CCN HY-W049770 [1,1,0,0,0,0|1,0,0]=3
15  B5R0.1  C[15NH]CC(=O)O HY-101037S [1,1,0,0,0,0|1,0,1]=4
16  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [1,1,0,0,0,0|1,0,1]=4
17  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [1,1,0,0,0,0|1,0,0]=3
18  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [1,1,0,0,0,0|1,0,0]=3
19  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,2,0,0,0,0|2,0,0]=4
20  B7R0.5  C#CC[C@H](N)C(=O)O HY-W006064 [0,2,0,0,0,0|1,0,1]=4
21  B7R0.5  C=CCC(N)C(=O)O HY-W023493 [0,2,0,0,0,0|1,0,1]=4
22  B7R0.10  O=C(O[Na])[C@@H](O)CO HY-113377A [0,2,0,0,0,0|2,0,0]=4
23  B7R0.10  O=C[C@@H](O)[C@H](O)[13CH2]O HY-W012864S2 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.13  CC[C@@](C)(N)C(=O)O HY-W008544 [0,2,0,0,0,0|0,0,0]=2
25  B7R0.13  [2H]C(N)(CS)C(=O)O HY-W012850S1 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.16  CC(C)[C@H](O)C(=O)O HY-30217 [0,2,0,0,0,0|1,0,0]=3
27  B7R0.16  [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,2,0,0,0,0|1,0,0]=3
28  B7R1.18  O=C(O)C1CCN1 HY-75308 [0,1,0,1,0,0|1,0,0]=3