0  B4R0.2  BrCCCBr CS-W020641 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.2  NCCCBr CS-W008585 [0,0,0,0,0,0|3,0,1]=4
2  B4R0.2  NCCCCl CS-0015792 [0,0,0,0,0,0|3,0,1]=4
3  B4R0.2  NCCCO CS-W020089 [0,0,0,0,0,0|2,1,1]=4
4  B3R0.1  CCCN CS-0079898 [1,0,0,0,0,0|1,0,1]=3
5  B3R0.1  N#CCI CS-W016050 [1,0,0,0,0,0|2,0,1]=4
6  B3R0.1  N#CCN CS-W013739 [1,0,0,0,0,0|2,0,1]=4
7  B3R0.1  NCCCl CS-W013617 [1,0,0,0,0,0|2,0,1]=4
8  B3R0.1  NCCF CS-W007788 [1,0,0,0,0,0|2,0,1]=4
9  B5R0.1  CC(N)CC#N CS-W020282 [0,1,0,0,0,0|2,0,1]=4
10  B5R0.1  CC(N)CCO CS-W004841 [0,1,0,0,0,0|1,1,1]=4
11  B5R0.1  CCOC(C)=N CS-W008601 [0,1,0,0,0,0|2,0,1]=4
12  B5R0.1  COC[C@@H](C)O CS-0019059 [0,1,0,0,0,0|3,0,0]=4
13  B5R0.2  BrCCCCBr CS-W020631 [0,1,0,0,0,0|2,0,1]=4
14  B5R0.2  C#CCCCCl CS-W009550 [0,1,0,0,0,0|2,0,1]=4
15  B5R0.2  C=CCCCO CS-W011355 [0,1,0,0,0,0|2,0,1]=4
16  B5R0.2  COCCC#N CS-0030563 [0,1,0,0,0,0|2,0,1]=4
17  B5R0.2  ICCCCI CS-W004871 [0,1,0,0,0,0|2,0,1]=4
18  B5R0.2  N#CCCCCl CS-D1161 [0,1,0,0,0,0|2,0,1]=4
19  B5R0.3  CC[C@@H](N)CO CS-W020734 [0,1,0,0,0,0|1,1,1]=4
20  B5R0.3  CC[C@H](N)CO CS-W013745 [0,1,0,0,0,0|1,1,1]=4
21  B5R1.1  C1CSCN1 CS-0006687 [0,0,0,1,0,0|0,0,3]=4
22  B5R1.2  CC1CNC1 CS-W019342 [0,0,0,1,0,0|3,0,0]=4
23  B5R1.3  N#CC1CC1 CS-D1406 [0,0,0,1,0,0|2,0,1]=4
24  B2R0.1  CON CS-W020192 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  CC(N)CO CS-W018531 [1,1,0,0,0,0|0,1,1]=4
26  B4R0.1  CC(O)CBr CS-0063182 [1,1,0,0,0,0|1,0,1]=4
27  B4R0.1  CCC(=N)O CS-W016688 [1,1,0,0,0,0|0,1,1]=4
28  B4R0.1  CC[C@H](C)N CS-0084847 [1,1,0,0,0,0|1,0,1]=4
29  B6R1.2  NC1=NCCC1 CS-B0123 [0,1,0,1,0,0|1,0,1]=4