0  B11R1.91  O=[13C](O)\[13CH]=[13CH]\C1=CC=CC=C1 HY-N0610AS2 [0,0,0,0,0,0|0,0,2]=2
1  B12R1.21  O=[13C](O)\[13CH]=[13CH]\C1=CC=C(O)C=C1 HY-N0351S [0,1,0,0,0,0|0,0,2]=3
2  B12R1.43  N[C@@H](CC1=CC=CC=C1)[13C](=O)O HY-N0215S2 [0,1,0,0,0,0|0,0,0]=1
3  B12R1.43  N[C@@H](C[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1)C(=O)O HY-N0215S8 [0,1,0,0,0,0|0,0,0]=1
4  B12R1.226  CC1=CC=CC(\C=C\C(=O)O)=C1 HY-78087 [0,1,0,0,0,0|0,0,2]=3
5  B11R1.17  COCCC1=CC=CC=C1O HY-W097539 [1,1,0,0,0,0|2,0,0]=4
6  B11R1.20  CC(=O)N=C1C=CC(=O)C=C1 HY-W017464 [0,1,0,0,1,0|2,0,0]=4
7  B11R1.35  N[13C@@H]([13CH2][13C]1=[13CH]N=[13CH]N1)[13C](=O)O HY-W014423S2 [0,1,0,0,1,0|2,0,0]=4
8  B11R1.35  N[C@@H](CC1=CN=[13CH]N1)C(=O)O HY-W014423S [0,1,0,0,1,0|2,0,0]=4
9  B11R1.35  N[C@H](CC1=CN=CN1)C(=O)O HY-W012572 [0,1,0,0,1,0|2,0,0]=4
10  B13R1.133  NC(CC1=CC=C(I)C=C1)C(=O)O HY-W009284 [0,2,0,0,0,0|0,0,0]=2
11  B13R1.133  N[C@@H](CC1=CC=C(O)C=C1)C(=O)O HY-109520 [0,2,0,0,0,0|0,0,0]=2
12  B13R1.133  N[C@@H](CC1=C[13CH]=C(O)[13CH]=C1)C(=O)O HY-N0473S6 [0,2,0,0,0,0|0,0,0]=2
13  B13R1.133  N[C@@H](C[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)C(=O)O HY-N0473S2 [0,2,0,0,0,0|0,0,0]=2
14  B13R1.133  [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)O HY-W012485 [0,2,0,0,0,0|0,0,0]=2
15  B13R1.164  O=C(O)CO[13C]1=[13C](Cl)[13CH]=[13C](Cl)[13CH]=[13CH]1 HY-18572S [0,2,0,0,0,0|1,0,0]=3
16  B13R1.511  O=[13C](O)\[13CH]=[13CH]\C1=CC(O)=C(O)C=C1 HY-N0172S [0,2,0,0,0,0|0,0,2]=4
17  B13R1.202  [C@@H](N)(CC1=CC=CC=C1Cl)C(=O)O HY-W012486 [0,2,0,0,0,0|0,0,0]=2
18  B13R1.893  CC(=O)OCC1=CC(F)=CC=C1Br HY-43488 [0,2,0,0,0,0|2,0,0]=4
19  B13R1.643  N#CC1=CC(NCC(=O)O)=CC=C1 HY-Z1906 [0,2,0,0,0,0|1,0,0]=3
20  B11R2.1  O=C1NS[13C]2=[13CH][13CH]=[13CH][13CH]=[13C]12 HY-W017401S [1,0,0,1,0,0|2,0,0]=4
21  B11R2.4  N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-17447AG [1,0,0,1,0,0|1,0,1]=4
22  B11R2.10  O=C1C=C2C=COC=C2O1 HY-W187279 [0,0,0,1,1,0|1,0,1]=4
23  B13R2.155  O=C1CCC2=C(C=C(Cl)C=C2)C1 HY-30055 [0,1,0,1,0,0|1,0,0]=3
24  B9R1.6  O=C(O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-N0216S1 [0,0,0,0,2,0|0,0,0]=2
25  B9R1.6  O=[13C](O)C1=CC=CC=C1 HY-N0216S2 [0,0,0,0,2,0|0,0,0]=2
26  B9R1.6  O=[13C](O)[13C]1=[13CH][13CH]=[13CH]N=[13CH]1 HY-B0143S3 [0,0,0,0,2,0|1,0,0]=3