0  B6R0.4  CCCCS(=O)[O-] 044582 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.4  COCNC(N)=O 101307 [0,0,0,0,0,0|3,0,0]=3
2  B6R0.4  NCCCC(N)=O 373559 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.1  CCCS(=O)[O-] 035598 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.1  NC(=O)NCO 101312 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.2  C=CCCCCl 097807 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.3  CCCCC(N)CC 214311 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.3  CNC(=O)CCOC 091206 [0,1,0,0,0,0|2,0,0]=3
8  B7R0.4  CCCCN[N+](=O)[O-] 180041 [0,1,0,0,0,0|3,0,0]=4
9  B7R0.4  CCCCOC(C)=O 101599 [0,1,0,0,0,0|0,1,0]=2
10  B7R0.4  COCCCC(=O)O 234024 [0,1,0,0,0,0|2,0,0]=3
11  B7R1.2  CC1COC(=O)O1 102084 [0,0,0,1,0,0|1,1,0]=3
12  B7R1.3  C[C@@H]1CCCCN1 044539 [0,0,0,1,0,0|2,0,1]=4
13  B7R1.12  O=C(O)[C@H]1C[C@@H]1F 037362 [0,0,0,1,0,0|3,0,0]=4
14  B7R1.20  N=C(N)NC1CC1 311609 [0,0,0,1,0,0|3,0,0]=4
15  B4R0.2  CC[Zn]CC 105051 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.1  CNC(=O)CCCl 310786 [1,1,0,0,0,0|1,0,0]=3
17  B6R0.6  C=CCCCNC 104140 [1,1,0,0,0,0|1,0,1]=4
18  B6R0.6  CCOCCNC 104271 [1,1,0,0,0,0|0,1,1]=4
19  B8R0.1  CCNC(=O)CCOC 091207 [0,2,0,0,0,0|2,0,0]=4
20  B8R0.12  CCCC(F)(F)C(=O)O 035962 [0,2,0,0,0,0|2,0,0]=4
21  B8R0.29  CC(C)(N)CNC(N)=O 036571 [0,2,0,0,0,0|2,0,0]=4
22  B6R1.2  CC1CCCO1 105578 [1,0,0,1,0,0|0,0,2]=4
23  B6R1.2  O=C1OCCO1 075946 [1,0,0,1,0,0|1,1,0]=4
24  B6R1.1  C1=NCCCC1 403930 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.2  O=CC1=CCCOC1 036040 [0,1,0,1,0,0|2,0,0]=4
26  B8R1.38  CNC(=O)C1CCC1 215318 [0,1,0,1,0,0|1,0,0]=3
27  B8R1.7  O=C(Cl)N1CCCC1 099986 [0,1,0,1,0,0|2,0,0]=4