0  B9R1.6  C=C(F)C1=CC=CC=C1 CS-0454967 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.6  CC(O)C1=CN=CN=C1 CS-0054425 [0,0,0,0,0,0|2,0,2]=4
2  B9R1.6  C[C@H](N)C1=CC=CC=C1 CS-0434925 [0,0,0,0,0,0|2,0,1]=3
3  B9R1.6  O=C([O-])C1=CC=CC=C1 CS-0902642 [0,0,0,0,0,0|2,0,0]=2
4  B8R1.2  NCC1=CN=CN=C1 CS-W022426 [1,0,0,0,0,0|1,0,1]=3
5  B8R1.2  O=CC1=CC=NN=C1 CS-W023111 [1,0,0,0,0,0|1,0,0]=2
6  B10R1.15  OCC(O)C1=CN=CC=C1 CS-0269321 [0,1,0,0,0,0|1,0,2]=4
7  B10R1.28  CS(=N)(=O)C1=CC=CN=C1 CS-0628376 [0,1,0,0,0,0|1,0,1]=3
8  B10R1.113  CC(N)C1=CC(F)=CN=C1 CS-0233082 [0,1,0,0,0,0|1,0,1]=3
9  B10R1.113  C[C@H](N)C1=CC(I)=CC=C1 CS-1198131 [0,1,0,0,0,0|2,0,1]=4
10  B10R1.113  NC(=O)C1=CC(F)=NC=C1 CS-0375697 [0,1,0,0,0,0|2,0,0]=3
11  B8R1.7  CC(=O)C1=NSC=C1 CS-0567763 [0,0,0,0,1,0|2,0,0]=3
12  B8R1.7  C[C@@H](N)C1=COC=C1 CS-0648698 [0,0,0,0,1,0|2,0,1]=4
13  B8R1.7  C[C@H](N)C1=CSC=C1 CS-0266725 [0,0,0,0,1,0|2,0,1]=4
14  B9R1.11  COC(=O)C1=CN=CN1 CS-0043864 [0,1,0,0,1,0|2,0,0]=4
15  B9R1.35  NC(=O)C1=NC(Br)=CS1 CS-0635875 [0,1,0,0,1,0|1,0,0]=3
16  B9R1.35  O=C(O)C1=CN=C(Br)O1 CS-0132105 [0,1,0,0,1,0|2,0,0]=4
17  B9R1.35  O=C(O)C1=NNC(F)=C1 CS-0184807 [0,1,0,0,1,0|2,0,0]=4
18  B11R1.20  O=C(O)CC1=CNC(=O)C=C1 CS-0694636 [0,1,0,0,0,1|1,0,1]=4
19  B11R1.36  O=C(O)[C@@H](O)C1=CC=CC=C1 CS-0229548 [0,1,0,0,0,1|2,0,0]=4
20  B11R1.21  CC(=O)C1=CN(C)C(=O)C=C1 CS-0686839 [0,2,0,0,0,0|1,0,1]=4
21  B11R1.21  CC1=CN=C(C(N)=O)C=C1Br CS-0783336 [0,2,0,0,0,0|2,0,0]=4
22  B11R1.22  COC(=O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 CS-0640731 [0,2,0,0,0,0|2,0,0]=4
23  B11R1.166  CC(=O)C1=C(Cl)N=C(C)C=C1 CS-0666087 [0,2,0,0,0,0|1,0,0]=3
24  B11R1.166  NC(=O)C1=C(Br)C=C(Br)C=N1 CS-0733898 [0,2,0,0,0,0|2,0,0]=4
25  B11R1.166  NC1=CN=C(C(=O)O)C(Cl)=N1 CS-0533806 [0,2,0,0,0,0|2,0,0]=4
26  B11R1.156  CC1=C([N+](=O)[O-])C(N)=NC=C1 CS-D1521 [0,2,0,0,0,0|2,0,0]=4
27  B11R1.159  CC1=C(Cl)C=NC=C1[N+](=O)[O-] CS-0521794 [0,2,0,0,0,0|2,0,0]=4
28  B11R1.159  CC1=C(N)C([N+](=O)[O-])=CN=C1 CS-W005654 [0,2,0,0,0,0|2,0,0]=4
29  B11R1.167  CN1C=CC(=O)C(C(N)=O)=C1 CS-0062330 [0,2,0,0,0,0|0,0,1]=3
30  B11R1.167  O=C([O-])C1=C(F)C=CC(Cl)=C1 CS-0445802 [0,2,0,0,0,0|2,0,0]=4
31  B9R1.69  O=C1NC(Cl)=CC=C1Cl CS-0310714 [0,0,1,1,0,0|2,0,0]=4
32  B11R2.10  BrC1=CC2=C(C=NC=C2)N1 CS-WAA0095 [0,0,0,1,0,1|2,0,0]=4
33  B11R2.10  O=C1C=C2C=COC=C2O1 CS-0248310 [0,0,0,1,0,1|2,0,0]=4
34  B11R1.91  CC(=O)\C=C/C1=CC=CC=C1 CS-0906300 [0,0,0,0,0,2|2,0,0]=4
35  B11R1.91  O=C(O)\C=C\C1=CN=NC=C1 CS-0459919 [0,0,0,0,0,2|2,0,0]=4