0  B5R0.1  C=COC(=O)Cl 101273 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  CCCS(=O)[O-] 035598 [0,0,0,0,0,0|2,0,1]=3
2  B5R0.1  NC(=O)NCO 101312 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.1  NC(=O)\C=C\Cl 180013 [0,0,0,0,0,0|2,0,2]=4
4  B5R0.1  O=C(O)\C=C\Cl 180014 [0,0,0,0,0,0|1,0,2]=3
5  B4R0.1  [2H]OC([2H])=O 102711 [1,0,0,0,0,0|3,0,0]=4
6  B4R0.2  C=CCC=C 102032 [1,0,0,0,0,0|2,0,1]=4
7  B6R0.1  CNC(=O)CCCl 310786 [0,1,0,0,0,0|2,0,0]=3
8  B6R0.3  C=CC(C)C(=O)O 103612 [0,1,0,0,0,0|1,0,1]=3
9  B6R0.3  O=C(O)C(=O)CF 104062 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.4  CCCCS(=O)[O-] 044582 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.4  COCNC(N)=O 101307 [0,1,0,0,0,0|3,0,0]=4
12  B6R0.4  NCCCC(N)=O 373559 [0,1,0,0,0,0|1,0,0]=2
13  B6R0.5  O=P(O)(O)CCCl 104639 [0,1,0,0,0,0|2,0,0]=3
14  B6R1.2  CC1CCCO1 105578 [0,0,0,1,0,0|2,0,1]=4
15  B6R1.2  C[C@H]1CCNC1 034511 [0,0,0,1,0,0|2,0,1]=4
16  B6R1.2  O=C1OCCO1 075946 [0,0,0,1,0,0|2,0,0]=3
17  B3R0.1  C#CCC 009072 [2,0,0,0,0,0|1,0,1]=4
18  B3R0.1  C=CC=O 103755 [2,0,0,0,0,0|0,0,2]=4
19  B3R0.1  O=CCBr 105198 [2,0,0,0,0,0|1,0,0]=3
20  B3R0.2  O=[N+]([O-])O 102497 [2,0,0,0,0,0|2,0,0]=4
21  B5R0.5  C[C@H](N)C(N)=O 094668 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.2  C=CCCCCl 097807 [1,1,0,0,0,0|2,0,0]=4
23  B7R0.2  CNC(=O)CC(C)C 103448 [0,2,0,0,0,0|2,0,0]=4
24  B7R0.3  CNC(=O)CCOC 091206 [0,2,0,0,0,0|2,0,0]=4
25  B7R0.3  COC(=O)CN=C=O 020995 [0,2,0,0,0,0|1,0,1]=4
26  B7R0.3  COCC\C(N)=N\O 370225 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.10  COC(=O)C(Cl)C=O 070635 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.16  CC(C)C(Br)C(=O)Cl 477377 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.16  CC(C)[C@@H](Br)C(=O)O 209858 [0,2,0,0,0,0|1,0,0]=3
30  B7R0.13  CC(C)(CBr)C(=O)Cl 102665 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.13  CC[C@@](C)(N)C(=O)O 048166 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.4  CCCCOC(C)=O 101599 [0,2,0,0,0,0|2,0,0]=4
33  B7R0.4  COCCCC(=O)O 234024 [0,2,0,0,0,0|1,0,0]=3
34  B7R0.8  CNCCS(=O)(=O)O 375127 [0,2,0,0,0,0|1,0,0]=3
35  B5R1.1  C1CCNC1 106070 [1,0,0,1,0,0|1,0,1]=4
36  B5R1.1  C1CCOC1 102404 [1,0,0,1,0,0|1,0,1]=4
37  B7R1.2  CC1COC(=O)O1 102084 [0,1,0,1,0,0|1,0,0]=3
38  B7R1.4  CN1CCCC1=O 105571 [0,1,0,1,0,0|2,0,0]=4
39  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [0,1,0,1,0,0|1,0,0]=3