0  B3R0.1  NCCO T22327 [1,0,0,0,0,0|1,1,0]=3
1  B3R0.1  NCCS T1080 [1,0,0,0,0,0|1,0,0]=2
2  B3R0.1  NCCS T6460 [1,0,0,0,0,0|1,0,0]=2
3  B5R0.1  CCCC(=O)[O-] T1393 [0,1,0,0,0,0|1,1,1]=4
4  B5R0.1  C[C@@H](O)CCO T19538 [0,1,0,0,0,0|0,2,0]=3
5  B5R0.1  NCCC(=O)O T0627 [0,1,0,0,0,0|1,1,1]=4
6  B5R0.1  NCCS(=O)O T5225 [0,1,0,0,0,0|2,1,0]=4
7  B5R0.2  NCCCCN T22213 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.3  CCC(C)C=O T5090 [0,1,0,0,0,0|1,1,1]=4
9  B5R0.3  O=CC(O)CO T4918 [0,1,0,0,0,0|0,2,1]=4
10  B5R0.3  OCC(O)CO T4776 [0,1,0,0,0,0|0,2,0]=3
11  B5R0.3  OCC(S)CS T0781 [0,1,0,0,0,0|0,1,0]=2
12  B5R1.3  ClCC1CO1 T6344 [0,0,0,1,0,0|1,1,0]=3
13  B5R1.3  ClCC1CO1 T6666 [0,0,0,1,0,0|1,1,0]=3
14  B5R1.3  N#CC1CC1 T0536 [0,0,0,1,0,0|2,0,1]=4
15  B2R0.1  CNC T5309 [2,0,0,0,0,0|1,0,0]=3
16  B2R0.1  CON T21320 [2,0,0,0,0,0|2,0,0]=4
17  B4R0.1  CC(O)CO T5619 [1,1,0,0,0,0|0,1,0]=3
18  B4R0.1  O=C([O-])CS T8530 [1,1,0,0,0,0|0,1,1]=4
19  B6R0.3  NC(CS)C(=O)O T8141 [0,2,0,0,0,0|0,1,1]=4
20  B6R0.3  N[C@@H](CS)C(=O)O T2O2721 [0,2,0,0,0,0|0,1,1]=4
21  B6R0.4  CSCCC(=O)O T5285 [0,2,0,0,0,0|0,1,1]=4
22  B6R0.4  NCCCC(=O)O T0508 [0,2,0,0,0,0|1,1,0]=4
23  B6R0.5  O=S(=O)([O-])CCS T1414 [0,2,0,0,0,0|1,1,0]=4
24  B6R0.6  CC\C=C/CCO T22295 [0,2,0,0,0,0|1,1,0]=4
25  B6R0.6  COCCCCO T7022 [0,2,0,0,0,0|0,2,0]=4
26  B6R0.6  ClCCNCCCl T0565 [0,2,0,0,0,0|2,0,0]=4
27  B6R0.6  NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4