0  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [1,0,0,0,0,0|2,0,0]=3
1  B8R1.4  FC1=CC=CC(F)=N1 HY-W012911 [1,0,0,0,0,0|3,0,0]=4
2  B8R1.5  NC1=C(O)C=NC=C1 HY-W008188 [1,0,0,0,0,0|2,0,0]=3
3  B8R1.5  OC1=NC=CC=C1Br HY-W003045 [1,0,0,0,0,0|2,0,0]=3
4  B10R1.2  CC1=C(Cl)C=CN=C1CCl HY-Z3866 [0,1,0,0,0,0|3,0,0]=4
5  B10R1.2  COC1=CC=CC(O)=C1O HY-W116576 [0,1,0,0,0,0|1,0,0]=2
6  B10R1.22  NC1=CC(Cl)=CC(F)=C1I HY-Z8324 [0,1,0,0,0,0|3,0,0]=4
7  B10R1.119  OC1=C(Cl)C(Cl)=NC=C1Cl HY-W105233 [0,1,0,0,0,0|3,0,0]=4
8  B10R1.245  COC1=C(C)N=CC=C1Cl HY-W059074 [0,1,0,0,0,0|2,0,0]=3
9  B10R1.245  O=CC1=C(Cl)C=CC=C1F HY-W015477 [0,1,0,0,0,0|2,0,1]=4
10  B7R1.3  ClC1=CC=NC=C1 HY-Y0178 [2,0,0,0,0,0|2,0,0]=4
11  B7R1.3  OC1=CC=NC=C1 HY-W007690 [2,0,0,0,0,0|1,0,0]=3
12  B9R0.1  C=C\C(C)=C\CC=C(C)C HY-117215 [0,1,1,0,0,0|1,0,1]=4
13  B9R0.1  C=C\C(C)=C\CC=C(C)C HY-117215A [0,1,1,0,0,0|1,0,1]=4
14  B9R1.2  OCC1=CC=CC(O)=C1 HY-78446 [1,1,0,0,0,0|1,0,0]=3
15  B9R1.34  CC1=CC(O)=CC(=O)O1 HY-Y1634 [1,1,0,0,0,0|2,0,0]=4
16  B9R1.34  CC1=CC(O)=CC(O)=C1 HY-W015715 [1,1,0,0,0,0|1,0,0]=3
17  B9R1.34  O[13C]1=[13CH][13C](O)=[13CH][13C](O)=[13CH]1 HY-W777964 [1,1,0,0,0,0|2,0,0]=4
18  B9R1.69  CC1=CC(N)=NC=C1Br HY-17562 [1,1,0,0,0,0|2,0,0]=4
19  B9R1.69  CC1=CC(O)=C(O)C=C1 HY-W012814R [1,1,0,0,0,0|1,0,0]=3
20  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [1,1,0,0,0,0|0,0,1]=3
21  B11R1.8  COC1=CC(=O)C=C(C)C1=O HY-W473763 [0,2,0,0,0,0|0,0,1]=3
22  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,2,0,0,0,0|2,0,0]=4
23  B11R1.159  CC(N)C1=C(Cl)C(Cl)=CC=C1 HY-107398 [0,2,0,0,0,0|2,0,0]=4
24  B11R1.159  O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,2,0,0,0,0|1,0,1]=4
25  B11R1.267  COC1=C(O)C(C=O)=CC=C1 HY-Y1832 [0,2,0,0,0,0|0,0,1]=3
26  B11R1.156  CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,2,0,0,0,0|1,0,0]=3
27  B11R1.156  NC1=CC=CC(Cl)=C1C(=O)O HY-Y1132 [0,2,0,0,0,0|2,0,0]=4