0  B3R0.1  NCCO T22327 [0,0,0,0,0,0|2,1,1]=4
1  B3R0.1  NCCS T1080 [0,0,0,0,0,0|2,0,2]=4
2  B3R0.1  NCCS T6460 [0,0,0,0,0,0|2,0,2]=4
3  B2R0.1  CNC T5309 [1,0,0,0,0,0|0,0,2]=3
4  B2R0.1  CON T21320 [1,0,0,0,0,0|2,0,0]=3
5  B2R0.1  Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4
6  B2R0.1  NC=O T4767 [1,0,0,0,0,0|0,1,2]=4
7  B2R0.1  O=[Si]=O T1397 [1,0,0,0,0,0|1,2,0]=4
8  B2R0.1  O=[Si]=O T34642 [1,0,0,0,0,0|1,2,0]=4
9  B2R0.1  S=[Mo]=S T19986 [1,0,0,0,0,0|2,0,0]=3
10  B2R0.1  [O-]C=O T5300 [1,0,0,0,0,0|1,1,1]=4
11  B4R0.1  CC(=O)C=O T19536 [0,1,0,0,0,0|1,1,1]=4
12  B4R0.1  CC(=O)NO T1592 [0,1,0,0,0,0|2,1,0]=4
13  B4R0.1  CC(N)C=O T29820 [0,1,0,0,0,0|1,1,1]=4
14  B4R0.1  CC(N)CO T27792 [0,1,0,0,0,0|1,1,1]=4
15  B4R0.1  CNC(N)=N T4904 [0,1,0,0,0,0|1,0,2]=4
16  B4R0.1  CNC([S-])=S T20178 [0,1,0,0,0,0|0,0,2]=3
17  B4R0.1  COC(C)=N T24458 [0,1,0,0,0,0|2,0,1]=4
18  B4R0.1  COC(N)=O T2151 [0,1,0,0,0,0|1,1,1]=4
19  B4R0.1  CSC(N)=N T22419 [0,1,0,0,0,0|2,0,1]=4
20  B4R0.1  C[C@H](O)CO T12810 [0,1,0,0,0,0|1,1,1]=4
21  B4R0.1  N(C(N)=N)C T21215 [0,1,0,0,0,0|1,0,2]=4
22  B4R0.2  CCNCC T31448 [0,1,0,0,0,0|1,0,2]=4
23  B4R0.2  CCNCC T9038 [0,1,0,0,0,0|1,0,2]=4
24  B4R0.2  CNCCO TN2779 [0,1,0,0,0,0|0,1,2]=4
25  B4R0.2  CSCC=C T5579 [0,1,0,0,0,0|2,0,1]=4
26  B4R0.2  CSSSC T8034 [0,1,0,0,0,0|2,0,1]=4
27  B4R0.2  NCCC#N T13475 [0,1,0,0,0,0|2,0,1]=4
28  B4R0.2  OCCCO T40585 [0,1,0,0,0,0|1,1,1]=4
29  B4R1.2  CC1OC1 T19524 [0,0,0,1,0,0|1,1,1]=4
30  B1R0.1  NO T11587 [2,0,0,0,0,0|0,1,1]=4
31  B1R0.1  NO T8894 [2,0,0,0,0,0|0,1,1]=4
32  B3R0.2  CC(N)=S T35367 [1,1,0,0,0,0|0,0,1]=3
33  B3R0.2  CC([O-])=O T23377 [1,1,0,0,0,0|0,1,1]=4
34  B3R0.2  CC([O-])=O T35375 [1,1,0,0,0,0|0,1,1]=4
35  B3R0.2  CC([O-])=O T8129 [1,1,0,0,0,0|0,1,1]=4
36  B3R0.2  CC([O-])C T19372 [1,1,0,0,0,0|0,1,1]=4
37  B3R0.2  CC([S-])=O T22402 [1,1,0,0,0,0|0,0,2]=4
38  B3R0.2  CN(C)C T4827 [1,1,0,0,0,0|0,0,2]=4
39  B3R0.2  NC(N)=N T0415 [1,1,0,0,0,0|1,0,1]=4
40  B5R0.3  CNC(=S)NC T40615 [0,2,0,0,0,0|0,0,2]=4