0  B10R0.79  CCOC(CN(C)C)OCC D47214 [0,0,0,0,0,0|1,0,0]=1
1  B9R0.17  CCOC(CCN)OCC A43954 [1,0,0,0,0,0|1,0,0]=2
2  B9R0.17  CCOC(CCO)OCC D43950 [1,0,0,0,0,0|1,0,0]=2
3  B11R0.352  CCOP(=O)(CC(C)=O)OCC D16367 [0,1,0,0,0,0|2,0,1]=4
4  B11R1.80  CC1=NC(CC(C)C)SC1C B50558 [0,0,0,1,0,0|1,1,1]=4
5  B9R0.15  C=C(Cl)C(OCC)OCC C3696 [0,0,0,0,1,0|1,0,2]=4
6  B9R0.15  CCOC(OCC)C(Br)Br D3669 [0,0,0,0,1,0|2,0,0]=3
7  B9R0.15  CCOC(OCC)[C@H](C)Br B5672 [0,0,0,0,1,0|1,0,0]=2
8  B8R0.16  COC(CC(C)=O)OC D39203 [2,0,0,0,0,0|1,0,1]=4
9  B8R0.22  C#CC(OCC)OCC D43803 [2,0,0,0,0,0|0,0,2]=4
10  B8R0.22  CCOC(C#N)OCC D41500 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.22  CCOC(CBr)OCC B8051 [2,0,0,0,0,0|1,0,0]=3
12  B8R0.22  CCOC(CI)OCC D1378 [2,0,0,0,0,0|1,0,0]=3
13  B8R0.22  CCOC(CN)OCC D41622 [2,0,0,0,0,0|1,0,0]=3
14  B8R0.22  CCOC(CO)OCC D37875 [2,0,0,0,0,0|1,0,0]=3
15  B10R0.73  CCOC(OCC)C(=N)OC M43935 [1,1,0,0,0,0|1,0,1]=4
16  B10R0.90  CCOC(CCCCl)OCC C47187 [1,1,0,0,0,0|0,0,0]=2
17  B10R0.90  CCOC(CCCN)OCC D15827 [1,1,0,0,0,0|0,0,0]=2
18  B10R0.90  CCOC(CN=[N+]=[N-])OCC A8447 [1,1,0,0,0,0|2,0,0]=4
19  B10R0.107  CCOP(=S)(OCC)OCC T7090 [1,1,0,0,0,0|2,0,0]=4
20  B12R0.22  CCOC(=O)CC(OCC)OCC E8163 [0,2,0,0,0,0|1,0,1]=4
21  B12R0.162  CCOC(CC(CO)CO)OCC D64376 [0,2,0,0,0,0|0,0,0]=2
22  B10R1.10  CCN[C@H]1CCCN(C)C1 E11173 [1,0,0,1,0,0|2,0,0]=4
23  B10R1.18  CC(C)C[C@H]1CCCNC1 B69831 [1,0,0,1,0,0|2,0,0]=4
24  B10R1.18  CN(C)C[C@H]1CNCCO1 D43945 [1,0,0,1,0,0|2,0,0]=4
25  B10R1.18  C[C@H](N)CC1CCCCC1 C52214 [1,0,0,1,0,0|2,0,0]=4
26  B10R1.262  CCOC1CC(N)C1(C)C E15187 [0,0,0,1,1,0|2,0,0]=4
27  B12R1.4566  CCOP(=O)(OCC)N1C[C@@H]1C D31898 [0,1,0,1,0,0|2,0,0]=4
28  B12R1.4566  CCOP(=O)(OCC)N1C[C@@H]1C D6074 [0,1,0,1,0,0|2,0,0]=4