0  B9R1.69  CC1=CC(C)=NC=C1N HY-W004883 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.69  CC1=NC=C(F)C=C1N HY-23946 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.3  N[13C]1=[13CH][13CH]=[13C](I)[13CH]=[13CH]1 HY-I0210S [1,0,0,0,0,0|2,0,0]=3
3  B8R1.4  NC1=CC=CC(F)=N1 HY-W003162 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.5  N[13C]1=[13C](Cl)[13CH]=[13CH][13CH]=[13CH]1 HY-W104010S [1,0,0,0,0,0|2,0,0]=3
5  B10R1.30  CC1=CC=C(O)C(CN)=C1 HY-139373 [0,1,0,0,0,0|2,0,0]=3
6  B10R1.30  O=CC1=CC(O)=CC=C1O HY-N1673 [0,1,0,0,0,0|2,0,1]=4
7  B10R1.119  NC1=CC=C(Br)C(Br)=C1F HY-Z5174 [0,1,0,0,0,0|3,0,0]=4
8  B8R1.18  CC1=CC(=O)NC1=O HY-W023557 [0,0,0,0,1,0|2,0,1]=4
9  B8R1.50  CC1=C(O)C(=O)SC1 HY-Z7429 [0,0,0,0,1,0|2,0,1]=4
10  B7R0.4  [13CH](=C/C=C/C)[13C](=O)O HY-W747751 [1,0,1,0,0,0|1,0,0]=3
11  B11R1.464  CC1=CC(O)=C(C=O)C(O)=C1 HY-W184893 [0,2,0,0,0,0|0,0,1]=3
12  B11R1.464  COC1=C(Cl)C=C(I)C=C1Cl HY-24340 [0,2,0,0,0,0|2,0,0]=4
13  B11R1.279  COC1=CC=C(C=O)C(O)=C1 HY-N0445 [0,2,0,0,0,0|0,0,1]=3
14  B11R1.167  NC1=CC(C(=O)O)=C(O)C=C1 HY-15027 [0,2,0,0,0,0|2,0,0]=4
15  B11R1.167  N[13C]1=[13CH][13C](C(=O)O)=[13C](O)[13CH]=[13CH]1 HY-143704S [0,2,0,0,0,0|2,0,0]=4
16  B11R1.280  CO[13C]1=[13CH][13C](C=O)=[13CH][13CH]=[13C]1O HY-N0098S2 [0,2,0,0,0,0|1,0,1]=4
17  B11R1.21  CC(C)C1=CC=C(O)C(O)=C1 HY-139430 [0,2,0,0,0,0|1,0,0]=3
18  B11R1.192  [15NH2][13CH2]CC1=CC=C(O)C(O)=C1 HY-B0451AS6 [0,2,0,0,0,0|1,0,0]=3
19  B11R2.36  OC1=CC=C2CCOC2=C1 HY-Z0528 [0,1,0,1,0,0|1,0,0]=3