0  B8R1.7  CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,0,0|0,0,0]=1
1  B8R1.7  O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,0,0|1,0,0]=2
2  B8R1.7  O=C(O)C1=NN=CN1 HY-107870 [1,0,0,0,0,0|3,0,0]=4
3  B8R1.7  O=[N+]([O-])C1=NC=CN1 HY-N0195 [1,0,0,0,0,0|3,0,0]=4
4  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [0,0,0,0,0,1|1,0,0]=2
5  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [0,0,0,0,0,1|2,0,0]=3
6  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,0,0,0,0,1|2,0,0]=3
7  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [0,0,0,0,0,1|3,0,0]=4
8  B10R1.64  CN1C=NC=C1CC(=O)O HY-113274A [0,0,0,0,0,1|2,0,0]=3
9  B10R1.113  CN1C=CCC(C(N)=O)=C1 HY-124313 [0,0,0,0,0,1|1,0,1]=3
10  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368A [0,0,0,0,0,1|1,0,2]=4
11  B10R1.113  CN1CCC=C(C(=O)O)C1 HY-N2368B [0,0,0,0,0,1|1,0,2]=4
12  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,0,0,0,0,1|1,0,1]=3
13  B10R1.113  C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,0,0,0,0,1|1,0,1]=3
14  B10R1.113  O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,0,0,0,0,1|3,0,0]=4
15  B7R1.1  O=CC1=CC=CN1 HY-77817 [2,0,0,0,0,0|0,0,0]=2
16  B7R1.1  O=CC1=COC=C1 HY-76224 [2,0,0,0,0,0|2,0,0]=4
17  B9R1.22  CN1C=C(Br)C=C1C#N HY-43863 [1,1,0,0,0,0|1,0,1]=4
18  B9R1.33  CN1C=NC=C1CCN HY-113412A [1,1,0,0,0,0|1,0,1]=4
19  B11R1.53  CCC1=CC=CC=C1C(N)=O HY-W412047 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.53  CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,1,0,0,0,1|2,0,0]=4
21  B11R1.156  CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,1,0,0,0,1|2,0,0]=4
22  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,1|2,0,0]=4
23  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,0,1,1,0,0|1,0,1]=4
24  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,0,1,1,0,0|1,0,1]=4
25  B11R2.1  O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,0,1|2,0,0]=4
26  B11R1.86  CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,0,0,0,0,2|2,0,0]=4