0  B8R0.7  C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,1]=3
1  B8R0.7  C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,1]=3
2  B8R0.7  C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.7  C(COCCN)C(=O)O S1872 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.1  C(CSSCCO)N S0683 [1,0,0,0,0,0|3,0,0]=4
5  B7R0.1  COCCOCCN S0639 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.4  CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,0]=2
7  B7R0.4  CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,0]=2
8  B9R0.2  CC(=O)NCCCCCN S6187 [0,1,0,0,0,0|1,0,2]=4
9  B9R0.2  CCCCCC=CC(=O)O S6162 [0,1,0,0,0,0|1,0,2]=4
10  B9R0.2  CCCCCCCC(=O)O S6296 [0,1,0,0,0,0|1,0,1]=3
11  B9R0.47  C(CCN)CC(C(=O)O)N S3953 [0,1,0,0,0,0|2,0,1]=4
12  B9R0.47  C(CCN)CC(C(=O)O)N S5630 [0,1,0,0,0,0|2,0,1]=4
13  B9R0.47  CCCCCC(C)C(=O)O S6099 [0,1,0,0,0,0|1,0,1]=3
14  B9R1.6  C1CCC(CC1)C(=O)O S6279 [0,0,0,1,0,0|1,0,1]=3
15  B9R1.6  C1CCNC(C1)C(=O)O S6302 [0,0,0,1,0,0|2,0,1]=4
16  B9R1.6  C1CCNC(C1)C(=O)O S6322 [0,0,0,1,0,0|2,0,1]=4
17  B9R1.6  C1CNCCC1C(=O)O S5612 [0,0,0,1,0,0|2,0,1]=4
18  B6R0.6  C(CCN)CCN S6357 [2,0,0,0,0,0|2,0,0]=4
19  B6R0.6  C(COCCBr)O S1686 [2,0,0,0,0,0|2,0,0]=4
20  B6R0.6  CCC=CCCO S6059 [2,0,0,0,0,0|0,0,2]=4
21  B8R0.8  CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.28  CC(C)CCCC(C)N S6477 [1,1,0,0,0,0|1,0,0]=3
23  B10R0.4  C(CCCC(=O)O)CCCN S6082 [0,2,0,0,0,0|1,0,1]=4
24  B10R0.4  CCCCCCCCC(=O)O S4949 [0,2,0,0,0,0|1,0,1]=4
25  B10R0.75  CCCCCCC(C(=O)O)O S5436 [0,2,0,0,0,0|0,0,1]=3
26  B10R0.78  CCCCC(C)CCC(=O)O S6029 [0,2,0,0,0,0|1,0,1]=4
27  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [1,0,0,1,0,0|2,0,0]=4
28  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [1,0,0,1,0,0|2,0,0]=4
29  B8R1.5  C1CCC(C(C1)[NH-])[NH-] S1224 [1,0,0,1,0,0|2,0,0]=4
30  B8R1.1  CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|1,0,1]=4
31  B8R1.4  CC1CCCC(N1)C S4992 [1,0,0,1,0,0|1,0,0]=3
32  B10R1.13  C1CC(CCC1C(=O)O)O S6069 [0,1,0,1,0,0|1,0,1]=4
33  B10R1.18  C1CCC(CC1)CC(=O)O S6022 [0,1,0,1,0,0|1,0,1]=4
34  B10R1.15  COC(=O)C1CCCCC1 S6299 [0,1,0,1,0,0|0,0,2]=4
35  B10R2.71  C1CC2CC(CC1N2)O S4897 [0,0,0,2,0,0|1,0,0]=3