0  B6R0.4  CC(C)CCCBr 113000 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.4  CCCCC(C)=O 098350 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.4  O=CNCC(=O)O 242940 [0,0,0,0,0,0|2,0,1]=3
3  B5R0.1  CCOC(=S)Cl 470560 [1,0,0,0,0,0|2,1,0]=4
4  B5R0.1  CCOC(N)=S 105176 [1,0,0,0,0,0|2,1,0]=4
5  B5R0.1  [2H]C(=O)OCC 105259 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.2  CCOCC#N 104806 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.2  CSCCC#N 371092 [1,0,0,0,0,0|2,0,1]=4
8  B5R0.2  N#CCCC=O 101160 [1,0,0,0,0,0|1,0,1]=3
9  B7R0.2  C=CC(C)CC(=O)O 229282 [0,1,0,0,0,0|0,0,2]=3
10  B7R0.4  CNCCCC(=O)O 242011 [0,1,0,0,0,0|0,0,0]=1
11  B7R0.4  O=[N+]([O-])OCCCBr 105835 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.5  C=CCC(F)C(C)=O 049763 [0,1,0,0,0,0|1,0,2]=4
13  B7R0.5  CCCC(N)C(C)C 214316 [0,1,0,0,0,0|2,0,1]=4
14  B7R0.5  NC(=O)C(Br)CCBr 105247 [0,1,0,0,0,0|2,0,0]=3
15  B7R0.6  CN(C)CCC(N)=O 043225 [0,1,0,0,0,0|2,0,0]=3
16  B7R0.8  CCCCS(=O)(=O)F 070503 [0,1,0,0,0,0|1,0,1]=3
17  B7R0.8  CCCNS([NH-])(=O)=O 095840 [0,1,0,0,0,0|2,0,1]=4
18  B7R1.20  NC(=S)NC1CC1 208666 [0,0,0,1,0,0|2,1,0]=4
19  B4R0.1  [2H]C(=O)OC 105254 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.2  CCN=C=O 386377 [2,0,0,0,0,0|1,0,1]=4
21  B4R0.2  COCC=O 105128 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.2  CSCCBr 472152 [2,0,0,0,0,0|2,0,0]=4
23  B6R0.1  CCOC(=O)OC 075947 [1,1,0,0,0,0|1,0,0]=3
24  B6R0.3  CCC(C)S(=O)[O-] 070719 [1,1,0,0,0,0|1,0,1]=4
25  B6R0.3  CCN(Cl)C(=O)O 105234 [1,1,0,0,0,0|1,0,0]=3
26  B6R0.3  COC(C)C(=O)O 219524 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.24  CCC(C)CS(=O)(=O)Cl 069686 [0,2,0,0,0,0|1,0,1]=4
28  B8R0.1  CC\C=C\C(=O)OCC 105274 [0,2,0,0,0,0|0,0,2]=4
29  B8R0.7  O=[N+]([O-])OCCCCO 105836 [0,2,0,0,0,0|1,0,1]=4
30  B8R0.29  CC(C)CCS(=O)(=O)Cl 037865 [0,2,0,0,0,0|1,0,1]=4
31  B6R1.6  ON=C1CCC1 069003 [1,0,0,1,0,0|1,0,1]=4
32  B8R1.4  C[C@@H]1CCCC(=O)O1 329497 [0,1,0,1,0,0|0,0,0]=2
33  B8R1.3  O=C1CCS(=O)CC1 094783 [0,1,0,1,0,0|2,0,0]=4