0  B7R0.7  CCOC(=O)CNN B020270 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  C#CC(=O)OCC B051748 [1,0,0,0,0,0|0,0,2]=3
2  B8R1.8  CCCC1=CC=CS1 B046363 [0,0,0,1,0,0|1,1,1]=4
3  B8R1.11  CCN1N=CC=C1Br B060135 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.11  CCN1N=CC=C1C B006759 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.11  CCN1N=CC=C1F B051209 [0,0,0,1,0,0|3,0,0]=4
6  B8R1.11  CCN1N=CC=C1I B051207 [0,0,0,1,0,0|3,0,0]=4
7  B8R1.11  CCN1N=CC=C1N B024267 [0,0,0,1,0,0|3,0,0]=4
8  B8R1.18  CC1=CC(Br)=NN1C B050946 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.18  CC1=CC(Cl)=NN1C B058980 [0,0,0,1,0,0|3,0,0]=4
10  B8R1.18  CC1=CC(I)=NN1C B050965 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.18  CC1=CC(N)=NN1C B020972 [0,0,0,1,0,0|3,0,0]=4
12  B8R1.18  CC1=CC(N)=NN1C B039190 [0,0,0,1,0,0|3,0,0]=4
13  B8R1.18  CC1=CC(N)=NN1C B047156 [0,0,0,1,0,0|3,0,0]=4
14  B5R0.3  CCC(=O)NN B015434 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.3  CNCCC(=O)NC B039605 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.5  CCOC(=O)C(F)F B020251 [1,1,0,0,0,0|1,0,1]=4
17  B9R0.34  CCOC(=O)CC(C)NC B039572 [0,2,0,0,0,0|0,0,2]=4
18  B7R1.2  CC1=NOC(N)=C1 B030049 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.22  CCN1N=C(Br)C=C1C B050947 [0,1,0,1,0,0|2,0,0]=4
20  B9R1.22  CCN1N=C(C)C=C1C B035685 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.22  CCN1N=C(C)C=C1F B052401 [0,1,0,1,0,0|2,0,0]=4
22  B9R1.22  CCN1N=C(C)C=C1N B022223 [0,1,0,1,0,0|2,0,0]=4
23  B9R1.22  CCN1N=C(I)C=C1C B050966 [0,1,0,1,0,0|2,0,0]=4
24  B9R1.22  CCN1N=C(N)C=C1C B020974 [0,1,0,1,0,0|2,0,0]=4
25  B9R1.34  CC1=CC(O)=CC(=O)O1 B048736 [0,1,0,1,0,0|0,0,2]=4
26  B9R1.38  C=C1OC(=O)OC1(C)C B048515 [0,1,0,1,0,0|1,0,1]=4
27  B9R1.14  CCN1N=CC=C1C=O B007399 [0,1,0,1,0,0|2,0,0]=4
28  B9R1.23  CC1=CC(C=O)=NN1C B015981 [0,1,0,1,0,0|2,0,0]=4