0  B9R1.22  CC1=C(C#N)SC(Cl)=C1 7H37-5-04 [0,0,0,0,0,0|3,0,1]=4
1  B9R1.22  CC1=CC(C)=C(CN)N1 3H30-1-JM [0,0,0,0,0,0|3,0,1]=4
2  B9R1.22  CC1=NC(C)=C(CN)S1 7H70-1-52 [0,0,0,0,0,0|1,0,1]=2
3  B9R1.22  CC1=NC(C=O)=C(Br)S1 8H15-9-02 [0,0,0,0,0,0|4,0,0]=4
4  B9R1.22  CC1=NC(CN)=C(C)O1 4H56-1-4U [0,0,0,0,0,0|3,0,1]=4
5  B8R1.1  CC1=CC=C(C=O)N1 4H15-1-7U [1,0,0,0,0,0|3,0,0]=4
6  B8R1.1  CC1=CN=C(C=O)S1 8H70-1-Y8 [1,0,0,0,0,0|3,0,0]=4
7  B8R1.1  CC1=NC=C(CO)O1 4H01-1-5U [1,0,0,0,0,0|1,1,1]=4
8  B8R1.1  CC1=NSC(C=O)=C1 8H15-1-0J [1,0,0,0,0,0|3,0,0]=4
9  B8R1.1  O=CC1=CC=C(O)S1 6H15-1-0H [1,0,0,0,0,0|3,0,0]=4
10  B8R1.11  CC1=C(C=O)NC=C1 4H15-1-BV [1,0,0,0,0,0|3,0,0]=4
11  B8R1.11  CC1=C(C=O)SN=C1 8H15-1-0G [1,0,0,0,0,0|3,0,0]=4
12  B8R1.11  O=CC1=C(Br)C=CS1 6H15-9-X4 [1,0,0,0,0,0|3,0,0]=4
13  B8R1.18  CC1=C(C)SC(Cl)=N1 7H70-5-0W [1,0,0,0,0,0|1,0,1]=3
14  B8R1.18  CC1=CC(I)=C(C)S1 5H66-H-06 [1,0,0,0,0,0|2,0,1]=4
15  B8R1.18  CC1=NN(C)C=C1Cl 3H32-5-UL [1,0,0,0,0,0|3,0,0]=4
16  B8R1.18  CC1=NN(C)C=C1O 4H01-1-DT [1,0,0,0,0,0|3,0,0]=4
17  B10R1.34  CC1=C(Br)C(C)=C(C=O)N1 4H15-9-07 [0,1,0,0,0,0|3,0,0]=4
18  B10R1.59  CC1=C(C(=O)O)SC(Br)=N1 8H70-9-03 [0,1,0,0,0,0|2,0,0]=3
19  B10R1.130  CC1=NC(C)=C(CCN)S1 7H70-1-51 [0,1,0,0,0,0|0,0,2]=3
20  B10R1.25  CC1=NC(C)=C(C=O)C=N1 4H15-1-37 [0,0,0,0,0,1|2,0,0]=3
21  B10R1.30  CC1=CC(C=O)=C(Br)C=N1 4H15-9-0Y [0,0,0,0,0,1|3,0,0]=4
22  B10R1.30  CC1=CN=C(N)C(C=O)=C1 4H30-1-1Z [0,0,0,0,0,1|3,0,0]=4
23  B9R1.33  CC1=C(CCCl)SC=N1 7H70-5-1T [1,1,0,0,0,0|0,0,2]=4
24  B11R1.166  CC1=CC=C(C(=O)Cl)C(C)=N1 4H16-5-65 [0,1,0,0,0,1|2,0,0]=4
25  B11R1.279  COC1=CC=C(C=O)C(C)=N1 4H15-1-6X [0,1,0,0,0,1|2,0,0]=4
26  B9R1.34  CC1=CC(N)=NC(C)=N1 3H30-1-0U [0,0,1,1,0,0|2,0,0]=4
27  B9R1.34  CC1=NC(C)=NC(Br)=C1 3H32-9-74 [0,0,1,1,0,0|2,0,0]=4
28  B11R2.10  NC1=NC2=CC=NC=C2S1 7H30-1-58 [0,1,0,1,0,0|1,0,1]=4