0  B8R1.3  ClC1=NC=C(Br)C=N1 HY-76897 [0,0,0,0,0,0|4,0,0]=4
1  B8R1.3  FC1=CN=C(Br)C=C1 HY-32748 [0,0,0,0,0,0|3,0,0]=3
2  B8R1.3  NC1=NC=C(F)C=C1 HY-Y0107 [0,0,0,0,0,0|3,0,0]=3
3  B7R1.3  ClC1=CC=NC=C1 HY-Y0178 [1,0,0,0,0,0|2,0,0]=3
4  B7R1.3  OC1=CC=NC=C1 HY-W007690 [1,0,0,0,0,0|1,0,0]=2
5  B9R1.1  OCC1=CC=C(O)C=C1 HY-Y0892R [0,1,0,0,0,0|0,0,0]=1
6  B9R1.69  CC1=CC(N)=NC=C1Br HY-17562 [0,1,0,0,0,0|3,0,0]=4
7  B9R1.69  CC1=CC(O)=C(O)C=C1 HY-W012814R [0,1,0,0,0,0|1,0,0]=2
8  B7R0.6  O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,0,1,0,0,0|2,0,0]=3
9  B6R0.4  O=C(O)\C=C\CO HY-100982 [1,0,1,0,0,0|1,0,1]=4
10  B8R1.2  ClCC1=CC=CC=N1 HY-W007502 [1,1,0,0,0,0|2,0,0]=4
11  B8R1.2  OCC1=NC=CC=N1 HY-78975 [1,1,0,0,0,0|2,0,0]=4
12  B8R1.2  OCC1=NC=NC=C1 HY-W017825 [1,1,0,0,0,0|2,0,0]=4
13  B8R1.4  CC1=CC(Br)=NC=C1 HY-W007579 [1,1,0,0,0,0|2,0,0]=4
14  B8R1.4  FC1=CC=CC(F)=N1 HY-W012911 [1,1,0,0,0,0|2,0,0]=4
15  B8R1.5  NC1=C(O)C=NC=C1 HY-W008188 [1,1,0,0,0,0|1,0,0]=3
16  B8R1.5  OC1=NC=CC=C1Br HY-W003045 [1,1,0,0,0,0|1,0,0]=3
17  B10R1.1  O=CCC1=CC=C(O)C=C1 HY-W614925 [0,2,0,0,0,0|0,0,1]=3
18  B10R1.1  [N-]=[N+]=NC1=CC=C(O)C=C1 HY-W178441 [0,2,0,0,0,0|1,0,0]=3
19  B10R1.13  O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,2,0,0,0,0|1,0,0]=3
20  B10R1.13  O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,2,0,0,0,0|1,0,0]=3
21  B10R1.13  O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,2,0,0,0,0|0,0,0]=2
22  B10R1.13  O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,2,0,0,0,0|0,0,0]=2
23  B10R1.176  CCC1=CC=C(O)C(O)=C1 HY-W265757 [0,2,0,0,0,0|1,0,0]=3
24  B10R1.176  COC1=CC=C(O)C(N)=C1 HY-W001213 [0,2,0,0,0,0|0,0,0]=2
25  B10R1.22  NC1=CC(Cl)=CC(F)=C1I HY-Z8324 [0,2,0,0,0,0|2,0,0]=4
26  B10R1.30  COC1=C(Cl)C=CC(Br)=C1 HY-W012416 [0,2,0,0,0,0|2,0,0]=4
27  B10R1.30  COC1=C(O)C=CC(O)=C1 HY-W013675 [0,2,0,0,0,0|0,0,0]=2
28  B10R1.30  OCC1=CC(O)=CC=C1O HY-W248907 [0,2,0,0,0,0|0,0,0]=2