0  B3R0.1  CCON CS-0017502 [0,0,0,0,0,0|3,0,0]=3
1  B3R0.1  CNOC CS-D1361 [0,0,0,0,0,0|2,0,1]=3
2  B3R0.1  NCCBr CS-W008659 [0,0,0,0,0,0|3,0,1]=4
3  B2R0.1  CNO CS-W007348 [1,0,0,0,0,0|0,1,1]=3
4  B2R0.1  CSC CS-0015151 [1,0,0,0,0,0|1,0,1]=3
5  B2R0.1  I[Ni]I CS-W001144 [1,0,0,0,0,0|3,0,0]=4
6  B2R0.1  N=CN CS-W007673 [1,0,0,0,0,0|1,0,1]=3
7  B2R0.1  O[Pd]O CS-0017903 [1,0,0,0,0,0|2,1,0]=4
8  B4R0.1  C#C[C@@H](C)O CS-0094046 [0,1,0,0,0,0|2,0,1]=4
9  B4R0.1  CC(=N)NO CS-W008635 [0,1,0,0,0,0|2,1,0]=4
10  B4R0.1  CC(=O)CN CS-W004850 [0,1,0,0,0,0|2,0,1]=4
11  B4R0.1  CC(=O)CO CS-0017823 [0,1,0,0,0,0|1,1,1]=4
12  B4R0.1  CC(C)ON CS-W008733 [0,1,0,0,0,0|3,0,0]=4
13  B4R0.1  CC(N)CF CS-0107816 [0,1,0,0,0,0|2,0,1]=4
14  B4R0.1  CCC(=N)N CS-W019290 [0,1,0,0,0,0|2,0,1]=4
15  B4R0.1  CCS(=O)[O-] CS-0020098 [0,1,0,0,0,0|2,1,0]=4
16  B4R0.1  CNN(C)C CS-M2145 [0,1,0,0,0,0|2,0,1]=4
17  B4R0.1  C[C@@H](O)CO CS-W020032 [0,1,0,0,0,0|1,1,1]=4
18  B4R0.1  C[C@H](N)CO CS-B1303 [0,1,0,0,0,0|1,1,1]=4
19  B4R0.1  C[C@H](O)CN CS-W019029 [0,1,0,0,0,0|2,0,1]=4
20  B4R0.1  C[C@H](O)CO CS-0011520 [0,1,0,0,0,0|1,1,1]=4
21  B4R0.1  ON=C(Br)Br CS-W008748 [0,1,0,0,0,0|2,0,1]=4
22  B4R0.1  [C@@H](C)(N)CN CS-W008537 [0,1,0,0,0,0|2,0,1]=4
23  B4R0.1  [C@H](C)(O)CCl CS-W005784 [0,1,0,0,0,0|2,0,1]=4
24  B4R0.2  C#CCCN CS-0059198 [0,1,0,0,0,0|2,0,1]=4
25  B4R0.2  CC#CCO CS-B1382 [0,1,0,0,0,0|1,1,1]=4
26  B4R0.2  CNCC#N CS-W002073 [0,1,0,0,0,0|1,0,2]=4
27  B4R0.2  CNCCBr CS-0042068 [0,1,0,0,0,0|1,0,2]=4
28  B4R0.2  CSCCN CS-0063136 [0,1,0,0,0,0|2,0,1]=4
29  B4R0.2  N#CCCN CS-D1507 [0,1,0,0,0,0|2,0,1]=4
30  B4R0.2  NCCON CS-M2746 [0,1,0,0,0,0|3,0,0]=4
31  B4R0.2  NNCCO CS-W007663 [0,1,0,0,0,0|3,0,0]=4
32  B4R0.2  NOCCO CS-W011361 [0,1,0,0,0,0|3,0,0]=4
33  B4R0.2  OCCCBr CS-W007337 [0,1,0,0,0,0|1,1,1]=4
34  B4R0.2  OCCCO CS-W018490 [0,1,0,0,0,0|1,1,1]=4
35  B4R1.1  C1CNC1 CS-W011344 [0,0,0,1,0,0|1,0,2]=4
36  B1R0.1  NN CS-W019806 [2,0,0,0,0,0|1,0,1]=4
37  B3R0.2  CC(=O)[O-] CS-0084981 [1,1,0,0,0,0|0,1,1]=4
38  B3R0.2  CC(N)=S CS-W018499 [1,1,0,0,0,0|0,0,1]=3
39  B3R0.2  CS(=O)[O-] CS-0019422 [1,1,0,0,0,0|1,1,0]=4
40  B5R0.1  CCOC(=S)[S-] CS-W020193 [0,2,0,0,0,0|1,0,1]=4