0  B11R1.53  CCC1=CC=CC=C1C(N)=O HY-W412047 [0,0,0,0,0,0|3,0,0]=3
1  B11R1.53  CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,0,0,0,0,0|4,0,0]=4
2  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [1,0,0,0,0,0|3,0,0]=4
5  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [1,0,0,0,0,0|3,0,0]=4
6  B12R1.77  COC(=O)C1=CC=CC=C1OC HY-Z0453 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.261  O=C(O)C1=C(C(=O)O)N=CC=N1 HY-W017105 [0,1,0,0,0,0|2,0,1]=4
8  B12R2.1081  N[C@@H]1CCCC2=CC=CN=C21 HY-77708 [0,0,0,1,0,0|2,0,1]=4
9  B12R1.75  CSC1=CC=CC=C1NC(C)=O HY-18594 [0,0,0,0,0,1|3,0,0]=4
10  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [2,0,0,0,0,0|2,0,0]=4
11  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [2,0,0,0,0,0|2,0,0]=4
12  B9R1.6  NC(=O)C1=NC=CN=C1 HY-B0271R [2,0,0,0,0,0|1,0,0]=3
13  B9R1.6  NC(=S)C1=NC=CN=C1 HY-W129661 [2,0,0,0,0,0|1,1,0]=4
14  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [2,0,0,0,0,0|2,0,0]=4
15  B13R2.5179  O=C1CCCC2=CC(Cl)=CC=C12 HY-W004311 [0,1,0,1,0,0|2,0,0]=4