0  B7R0.4  COCCCC(=O)O 234024 [0,0,0,0,0,0|1,0,3]=4
1  B8R0.28  NC(=O)N\N=C\C(=O)O 180088 [0,1,0,0,0,0|3,0,0]=4
2  B8R1.4  C[N+]1=CC(I)=CC=C1 189774 [0,0,0,1,0,0|3,0,0]=4
3  B8R1.4  C[N+]1=CC=CC(N)=C1 181312 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.4  [2H]C1=CC(Br)=CC=C1 043268 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.7  O=C(O)C1C=CCO1 040022 [0,0,0,1,0,0|1,0,2]=4
6  B5R0.1  C=COC(=O)Cl 101273 [2,0,0,0,0,0|2,0,0]=4
7  B5R0.1  NC(=O)\C=C\Cl 180013 [2,0,0,0,0,0|2,0,0]=4
8  B5R0.1  O=C(O)\C=C\Cl 180014 [2,0,0,0,0,0|1,0,0]=3
9  B7R1.2  CC1=CC=C([Mg+])S1 399696 [1,0,0,1,0,0|1,1,0]=4
10  B9R1.13  O=C(O)CC1=CNC=N1 012254 [0,1,0,1,0,0|1,0,1]=4
11  B9R1.34  CC1=CC(C)=[O+]C(C)=C1 181073 [0,1,0,1,0,0|1,0,1]=4
12  B9R1.34  CC1=CC(Cl)=CC(I)=C1 070851 [0,1,0,1,0,0|2,0,0]=4
13  B9R1.2  C[N+]1=CC(CO)=CC=C1 181608 [0,1,0,1,0,0|2,0,0]=4
14  B9R1.3  CC1=C(I)C(Br)=CC=C1 038624 [0,1,0,1,0,0|2,0,0]=4
15  B9R1.3  CC1=CC=CC(S)=C1Br 061615 [0,1,0,1,0,0|1,1,0]=4
16  B9R1.3  CN1C=CC=C(O)C1=S 180130 [0,1,0,1,0,0|1,1,0]=4
17  B9R1.3  OC1=CC=CC(I)=C1Cl 319868 [0,1,0,1,0,0|2,0,0]=4
18  B9R1.11  N\C(=N/O)C1=CC=CN1 097985 [0,1,0,1,0,0|2,0,0]=4
19  B9R1.11  O=C(CCl)C1=CC=CS1 015347 [0,1,0,1,0,0|2,0,0]=4
20  B9R1.69  CC1=C(S)C=CC(Br)=C1 037981 [0,1,0,1,0,0|2,0,0]=4
21  B9R1.69  CC1=C(S)C=CC(F)=C1 023130 [0,1,0,1,0,0|2,0,0]=4
22  B9R1.69  CC1=CC(Cl)=C(S)C=C1 070834 [0,1,0,1,0,0|2,0,0]=4
23  B9R1.69  CC1=CC(S)=C(Br)C=C1 037984 [0,1,0,1,0,0|1,1,0]=4
24  B9R1.69  CC1=CC(S)=C(F)C=C1 037942 [0,1,0,1,0,0|1,1,0]=4
25  B9R1.69  CC1=CC=C(C)C(N)=N1 032657 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.69  CC1=[N+](C)C=C(O)C=C1 181609 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.69  OC1=CC=C(I)C(F)=C1 226296 [0,1,0,1,0,0|2,0,0]=4