0  B4R0.2  C=CCSC M28472 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.2  CCCCO M19029 [0,0,0,0,0,0|1,1,1]=3
2  B4R0.2  CCNCC M24671 [0,0,0,0,0,0|1,0,2]=3
3  B4R0.2  COCCO M19726 [0,0,0,0,0,0|2,1,1]=4
4  B4R0.2  CSSSC M21393 [0,0,0,0,0,0|4,0,0]=4
5  B4R0.2  N#CCCN M26531 [0,0,0,0,0,0|3,0,1]=4
6  B4R0.2  NCCCN M19709 [0,0,0,0,0,0|3,0,1]=4
7  B4R0.2  OCCCO M28314 [0,0,0,0,0,0|2,1,1]=4
8  B3R0.1  NCCO M19560 [1,0,0,0,0,0|1,1,1]=4
9  B3R0.1  NCCO M27552 [1,0,0,0,0,0|1,1,1]=4
10  B3R0.1  NCCS M12233 [1,0,0,0,0,0|1,0,2]=4
11  B3R0.1  NCCS M15246 [1,0,0,0,0,0|1,0,2]=4
12  B5R0.1  CC(C)\C=N\O M19919 [0,1,0,0,0,0|2,1,0]=4
13  B5R0.1  CCCC(=O)O M19749 [0,1,0,0,0,0|1,1,1]=4
14  B5R0.1  CCCC(=O)[O-] M12232 [0,1,0,0,0,0|1,1,1]=4
15  B5R0.1  CCOC(N)=O M14805 [0,1,0,0,0,0|1,1,1]=4
16  B5R0.1  CCSC(=N)N M27627 [0,1,0,0,0,0|2,0,1]=4
17  B5R0.1  CONC(C)=S M11551 [0,1,0,0,0,0|1,0,2]=4
18  B5R0.1  C[C@H](O)CCO M23286 [0,1,0,0,0,0|1,1,1]=4
19  B5R0.2  C=CCN=C=S M19532 [0,1,0,0,0,0|0,0,1]=2
20  B5R0.2  CCCSSC M28231 [0,1,0,0,0,0|2,0,1]=4
21  B5R0.2  NCCCCN M19711 [0,1,0,0,0,0|2,0,1]=4
22  B5R0.3  CCC(C)C=O M19674 [0,1,0,0,0,0|1,1,1]=4
23  B5R1.1  C1=COCC1 M10663 [0,0,0,1,0,0|1,1,1]=4
24  B5R1.1  C1CCNC1 M20242 [0,0,0,1,0,0|1,0,2]=4
25  B5R1.3  N#CC1CC1 M14988 [0,0,0,1,0,0|2,0,1]=4
26  B2R0.1  CNC M20016 [2,0,0,0,0,0|0,0,2]=4
27  B2R0.1  CON M22875 [2,0,0,0,0,0|1,0,1]=4
28  B2R0.1  O=N[O-] M19521 [2,0,0,0,0,0|1,1,0]=4
29  B4R0.1  CC(C)CO M20289 [1,1,0,0,0,0|0,1,1]=4
30  B4R0.1  CC(O)CO M20276 [1,1,0,0,0,0|0,1,1]=4
31  B4R0.1  CCC(=O)O M19664 [1,1,0,0,0,0|0,1,1]=4
32  B6R0.6  CCCCN=C=S M24585 [0,2,0,0,0,0|0,0,0]=2
33  B4R1.2  CC1CO1 M24927 [1,0,0,1,0,0|0,1,1]=4
34  B6R1.2  CC1=NCCN1 M27364 [0,1,0,1,0,0|1,0,1]=4
35  B6R1.2  S=C1NCCN1 M27229 [0,1,0,1,0,0|0,0,2]=4