0  B6R1.2  C[C@H]1CCNC1 034511 [0,0,0,0,0,0|1,0,3]=4
1  B6R1.2  OC1=NN=CS1 313117 [0,0,0,0,0,0|4,0,0]=4
2  B5R1.1  C1=CN[NH+]=C1 180087 [1,0,0,0,0,0|0,0,1]=2
3  B7R1.1  NCC1=CSC=N1 358537 [0,1,0,0,0,0|3,0,0]=4
4  B7R1.1  OCN1C=NC=N1 180008 [0,1,0,0,0,0|3,0,0]=4
5  B7R1.2  CC1=CC=C([Mg+])S1 399696 [0,1,0,0,0,0|3,0,0]=4
6  B7R1.2  CC1=CN(C)C=N1 075144 [0,1,0,0,0,0|2,0,0]=3
7  B7R1.4  CC1=NN=CN1N 044059 [0,1,0,0,0,0|2,0,1]=4
8  B7R1.4  CN1C=NN=C1N 324197 [0,1,0,0,0,0|1,0,1]=3
9  B7R1.4  NC1=NNC=C1Cl 030482 [0,1,0,0,0,0|1,0,0]=2
10  B7R1.3  BrC1=NC=NC=C1 080310 [0,0,0,0,0,1|2,0,0]=3
11  B4R0.2  C=CCC=C 102032 [1,0,1,0,0,0|2,0,0]=4
12  B8R1.3  BrC1=CN=C(I)C=N1 038569 [0,1,0,0,0,1|2,0,0]=4
13  B8R1.3  CC1=CC=[N+](C)C=C1 180824 [0,1,0,0,0,1|1,0,1]=4
14  B8R1.3  CC1=CN=C(O)C=N1 077046 [0,1,0,0,0,1|1,0,0]=3
15  B8R1.3  CC1=NC=C(O)C=N1 077095 [0,1,0,0,0,1|1,0,1]=4
16  B8R1.4  C[N+]1=CC(Cl)=NC=C1 181726 [0,1,0,0,0,1|2,0,0]=4
17  B8R1.4  NC1=CC(=O)NN=C1 208636 [0,1,0,0,0,1|1,0,0]=3
18  B8R1.4  NC1=NC(Br)=CN=C1 076762 [0,1,0,0,0,1|2,0,0]=4
19  B8R1.5  CC1=NNC=NC1=S 188932 [0,1,0,0,0,1|1,0,0]=3
20  B8R1.5  CN1C=CC=NC1=S 099218 [0,1,0,0,0,1|2,0,0]=4
21  B8R1.5  OC1=C(Cl)C=NN=C1 324534 [0,1,0,0,0,1|1,0,1]=4
22  B8R1.1  BrCC1=CN=C(Br)S1 230460 [0,2,0,0,0,0|2,0,0]=4
23  B8R1.1  CN1C=CC(CN)=N1 030481 [0,2,0,0,0,0|2,0,0]=4
24  B8R1.7  O=[N+]([O-])C1=CNC=C1 161200 [0,2,0,0,0,0|2,0,0]=4
25  B8R1.18  CC1=CC(=O)NN1C 180024 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.50  CC1=NNC(C)=C1N 030286 [0,2,0,0,0,0|1,0,0]=3