0  B12R1.43  N[C@@H](CC1=CC=CC=C1)[13C](=O)O HY-N0215S2 [0,0,0,0,0,0|0,0,0]=0
1  B12R1.43  N[C@@H](C[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)C(=O)O HY-N0215S8 [0,0,0,0,0,0|0,0,0]=0
2  B11R1.91  O=[13C](O)\[13CH]=[13CH]\C1=CC=CC=C1 HY-N0610AS2 [1,0,0,0,0,0|0,0,2]=3
3  B13R1.133  NC(CC1=CC=C(I)C=C1)C(=O)O HY-W009284 [0,1,0,0,0,0|0,0,0]=1
4  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O HY-109520 [0,1,0,0,0,0|0,0,0]=1
5  B13R1.133  N[C@@H](CC1=C[13CH]=C(O)[13CH]=C1)C(=O)O HY-N0473S6 [0,1,0,0,0,0|0,0,0]=1
6  B13R1.133  N[C@@H](C[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)C(=O)O HY-N0473S2 [0,1,0,0,0,0|0,0,0]=1
7  B13R1.133  [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O HY-W012485 [0,1,0,0,0,0|0,0,0]=1
8  B13R1.202  [C@@H](N)(CC1=CC=CC=C1Cl)C(=O)O HY-W012486 [0,1,0,0,0,0|0,0,0]=1
9  B11R1.35  N[13C@@H]([13CH2][13C]1=[13CH]N=[13CH]N1)[13C](=O)O HY-W014423S2 [0,0,0,0,1,0|2,0,0]=3
10  B11R1.35  N[C@@H](CC1=CN=[13CH]N1)C(=O)O HY-W014423S [0,0,0,0,1,0|2,0,0]=3
11  B11R1.35  N[C@H](CC1=CN=CN1)C(=O)O HY-W012572 [0,0,0,0,1,0|2,0,0]=3
12  B12R1.21  O=[13C](O)\[13CH]=[13CH]\C1=CC=C(O)C=C1 HY-N0351S [1,1,0,0,0,0|0,0,2]=4
13  B12R1.226  CC1=CC=CC(\C=C\C(=O)O)=C1 HY-78087 [1,1,0,0,0,0|0,0,2]=4
14  B12R1.20  O=C(O)C(=O)C1=CC=C(O)C=C1 HY-W104819 [0,1,0,0,1,0|1,0,1]=4
15  B12R1.20  O=C(O)C(O)C1=CC=C(O)C=C1 HY-113027 [0,1,0,0,1,0|1,0,0]=3
16  B12R1.225  C[C@H](C(=O)O)C1=CC(Br)=CC=C1 HY-W442377 [0,1,0,0,1,0|1,0,0]=3
17  B14R1.134  COC(=O)[C@@H](N)CC1=CC=C(I)C=C1 HY-W091734 [0,2,0,0,0,0|0,0,0]=2
18  B14R1.686  NC(CC1=CC(F)=C(O)C=C1)C(=O)O HY-W009794 [0,2,0,0,0,0|0,0,0]=2
19  B14R1.686  N[C@@H](C[13C]1=[13CH][13C](Cl)=[13C](O)[13CH]=[13CH]1)C(=O)O HY-W041171S [0,2,0,0,0,0|0,0,0]=2
20  B14R1.686  N[C@@H](C[13C]1=[13CH][13C](O)=[13C](O)[13CH]=[13CH]1)C(=O)O HY-N0304S1 [0,2,0,0,0,0|0,0,0]=2
21  B14R1.6049  CC1=CC(Cl)=CC=C1OC(C)C(=O)O HY-118126 [0,2,0,0,0,0|2,0,0]=4