0  B4R0.2  CSSSC T8034 [0,0,0,0,0,0|2,0,0]=2
1  B3R0.1  NCCO T22327 [1,0,0,0,0,0|2,0,0]=3
2  B3R0.1  NCCS T1080 [1,0,0,0,0,0|2,0,0]=3
3  B3R0.1  NCCS T6460 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  CC(C)=CCO T4747 [0,1,0,0,0,0|2,0,1]=4
5  B5R0.1  CC(C)\C=N\O T4930 [0,1,0,0,0,0|3,0,0]=4
6  B5R0.1  CCCC(=O)[O-] T1393 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  CCOC(N)=O T0051 [0,1,0,0,0,0|1,1,1]=4
8  B5R0.1  CCSC(=N)N T22761 [0,1,0,0,0,0|1,0,1]=3
9  B5R0.1  C[C@@H](O)CCO T19538 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.2  NCCCCN T22213 [0,1,0,0,0,0|2,0,0]=3
11  B5R0.3  CCC(C)C=O T5090 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.3  OCC(O)CO T4776 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.3  OCC(S)CS T0781 [0,1,0,0,0,0|3,0,0]=4
14  B5R1.3  ClCC1CO1 T6344 [0,0,0,1,0,0|3,0,0]=4
15  B5R1.3  ClCC1CO1 T6666 [0,0,0,1,0,0|3,0,0]=4
16  B5R1.3  N#CC1CC1 T0536 [0,0,0,1,0,0|2,0,1]=4
17  B2R0.1  CNC T5309 [2,0,0,0,0,0|1,0,0]=3
18  B2R0.1  CON T21320 [2,0,0,0,0,0|1,1,0]=4
19  B4R0.1  CC(O)CO T5619 [1,1,0,0,0,0|1,0,0]=3
20  B4R0.1  CSC(=N)N T22419 [1,1,0,0,0,0|1,0,1]=4
21  B4R0.1  C\N=[N+](\C)[O-] T13565 [1,1,0,0,0,0|2,0,0]=4
22  B6R0.1  COC(=O)CCN T8097 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.2  CC(C)SC(=N)N T23300 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.4  N=C(N)SCCN T7543 [0,2,0,0,0,0|1,0,1]=4
25  B6R0.6  CC\C=C/CCO T22295 [0,2,0,0,0,0|1,0,0]=3
26  B6R0.6  COCCCCO T7022 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.6  ClCCNCCCl T0565 [0,2,0,0,0,0|1,0,0]=3
28  B6R0.6  NCCCCCN T4895 [0,2,0,0,0,0|1,0,0]=3