0  B7R1.1  NCC1=CSC=N1 358537 [0,0,0,0,0,0|3,0,0]=3
1  B7R1.1  OCN1C=NC=N1 180008 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.1  BrCC1=CN=C(Br)S1 230460 [0,1,0,0,0,0|2,1,0]=4
3  B8R1.1  CC1=CSC(CN)=N1 031058 [0,1,0,0,0,0|2,1,0]=4
4  B8R1.1  CN1C=CC(CN)=N1 030481 [0,1,0,0,0,0|3,0,0]=4
5  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [0,1,0,0,0,0|0,1,0]=2
6  B5R0.1  C=COC(=O)Cl 101273 [1,0,1,0,0,0|2,0,0]=4
7  B5R0.1  O=C(O)\C=C\Cl 180014 [1,0,1,0,0,0|2,0,0]=4
8  B5R0.2  CC\C=C\CBr 104983 [1,0,1,0,0,0|1,0,1]=4
9  B5R1.1  C1=CN[NH+]=C1 180087 [2,0,0,0,0,0|2,0,0]=4
10  B7R1.2  CC1=CC=C([Mg+])S1 399696 [1,1,0,0,0,0|0,1,0]=3
11  B7R1.2  CC1=CN(C)C=N1 075144 [1,1,0,0,0,0|2,0,0]=4
12  B9R1.2  CCC1=CC(C)=CN=C1 180046 [0,1,0,0,0,1|1,0,0]=3
13  B9R1.2  C[N+]1=CC(CO)=CC=C1 181608 [0,1,0,0,0,1|2,0,0]=4
14  B9R1.6  CC(C)[N+]1=CC=CC=C1 184885 [0,1,0,0,0,1|2,0,0]=4
15  B9R1.8  CCC[N+]1=CC=CC=C1 243010 [0,1,0,0,0,1|2,0,0]=4
16  B9R1.8  CCOC1=CC=CN=C1 180053 [0,1,0,0,0,1|1,0,0]=3
17  B9R1.8  CNCC1=NC=CC=N1 076808 [0,1,0,0,0,1|1,0,0]=3
18  B9R1.15  CCC1=C(F)C=CC=C1 037698 [0,1,0,0,0,1|1,0,0]=3
19  B9R1.15  NCC1=CC=CC=C1Cl 209763 [0,1,0,0,0,1|2,0,0]=4
20  B9R1.7  CCCC1=NC=C(Br)N1 312919 [0,2,0,0,0,0|2,0,0]=4
21  B9R1.35  CC(C)C1=NOC(N)=C1 042341 [0,2,0,0,0,0|2,0,0]=4
22  B9R1.11  CC(CO)N1C=CC=N1 038543 [0,2,0,0,0,0|2,0,0]=4
23  B9R1.11  CCC(O)C1=CC=CO1 105062 [0,2,0,0,0,0|0,0,0]=2
24  B9R1.11  O=C(CCl)C1=CC=CS1 015347 [0,2,0,0,0,0|0,1,1]=4
25  B9R1.33  CN1C=CN=C1CCN 311105 [0,2,0,0,0,0|2,0,0]=4