0  B7R1.1  NCC1=CSC=N1 358537 [0,0,0,0,0,0|3,0,1]=4
1  B6R1.2  O=C1OCCO1 075946 [1,0,0,0,0,0|1,0,2]=4
2  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [0,1,0,0,0,0|1,1,1]=4
3  B8R1.7  NC(=S)N1C=CC=N1 098165 [0,1,0,0,0,0|2,1,0]=4
4  B8R1.7  O=C(O)C1C=CCO1 040022 [0,1,0,0,0,0|0,0,2]=3
5  B8R1.7  O=[N+]([O-])C1=CNC=C1 161200 [0,1,0,0,0,0|3,0,0]=4
6  B8R1.2  C=C[N+]1=CC=CC=C1 180799 [0,0,0,0,0,1|3,0,0]=4
7  B8R1.2  O=CC1=CCCOC1 036040 [0,0,0,0,0,1|0,0,2]=3
8  B5R0.1  C=COC(=O)Cl 101273 [1,0,1,0,0,0|1,0,0]=3
9  B5R0.1  NC(=O)\C=C\Cl 180013 [1,0,1,0,0,0|2,0,0]=4
10  B5R0.1  O=C(O)\C=C\Cl 180014 [1,0,1,0,0,0|1,0,0]=3
11  B5R1.1  C1=CN[NH+]=C1 180087 [2,0,0,0,0,0|2,0,0]=4
12  B7R1.2  CC1=CC=C([Mg+])S1 399696 [1,1,0,0,0,0|0,1,1]=4
13  B9R1.6  O=C([O-])C1CCC=CO1 243092 [0,1,0,0,0,1|0,0,2]=4
14  B9R1.8  O=C=NC1=CC=CN=C1 022077 [0,1,0,0,0,1|1,0,1]=4
15  B9R1.11  CCC(O)C1=CC=CO1 105062 [0,2,0,0,0,0|0,0,2]=4
16  B9R1.11  N\C(=N/O)C1=CC=CN1 097985 [0,2,0,0,0,0|1,0,1]=4
17  B9R1.11  O=C(CCl)C1=CC=CS1 015347 [0,2,0,0,0,0|0,1,0]=3
18  B9R1.13  O=C(O)CC1=CNC=N1 012254 [0,2,0,0,0,0|2,0,0]=4