0  B10R0.91  CCCCNC(=O)OCCO D93331 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.5  CCOC(=O)CCCC#N 84960 [1,0,0,0,0,0|1,0,2]=4
2  B9R0.5  CCOC(=O)CCCC=O N10598 [1,0,0,0,0,0|1,0,2]=4
3  B9R0.5  CCOC(=O)CCCCN 23836 [1,0,0,0,0,0|1,0,1]=3
4  B11R0.46  CCCCOC(=O)CCC(=O)O S10462 [0,1,0,0,0,0|3,0,0]=4
5  B11R0.140  CCCCOC(=O)OCCCC C75547 [0,1,0,0,0,0|1,0,2]=4
6  B11R1.28  CCCCCC1=CC=CN=C1 O11045 [0,0,0,1,0,0|3,0,0]=4
7  B11R1.28  CCCCCC1=NC=CC=C1 D70816 [0,0,0,1,0,0|2,0,1]=4
8  B8R0.1  CCCC(=O)OCCO D81566 [2,0,0,0,0,0|1,0,1]=4
9  B8R0.1  CCOC(=O)CCCO C91677 [2,0,0,0,0,0|1,0,1]=4
10  B8R0.4  C=CCCCCCCI W11175 [2,0,0,0,0,0|1,0,1]=4
11  B8R0.6  CCCCCC(=O)CBr C73149 [2,0,0,0,0,0|1,0,0]=3
12  B8R0.6  COC(=O)COCCO D84694 [2,0,0,0,0,0|2,0,0]=4
13  B10R0.1  CCCCNCC(=O)OCC AB3730 [1,1,0,0,0,0|0,0,1]=3
14  B10R0.3  C=C(C)CCCC(=O)OCC C75004 [1,1,0,0,0,0|0,0,2]=4
15  B10R0.83  CCCCCC(=O)[C@@H](C)CC D84197 [1,1,0,0,0,0|0,0,2]=4
16  B10R0.78  CCCCC(=O)NCC(=O)O 81427 [1,1,0,0,0,0|2,0,0]=4
17  B10R0.4  C=CCCCCCC[C@H](C)O W11241 [1,1,0,0,0,0|1,0,1]=4
18  B12R0.648  NCCCC[C@H](N)C(=O)OCCN D93080 [0,2,0,0,0,0|1,0,1]=4
19  B12R0.233  CCCCCC(=O)CCCC(=O)O Y13481 [0,2,0,0,0,0|1,0,1]=4
20  B10R1.11  CCOC(=O)[C@H]1CCNC1 AC2254 [1,0,0,1,0,0|1,0,1]=4
21  B10R1.11  N#CCC(=O)C1CCCC1 84149 [1,0,0,1,0,0|1,0,1]=4
22  B10R1.25  CC[C@H]1CNC(=O)CC1=O 27452 [1,0,0,1,0,0|2,0,0]=4
23  B10R1.78  O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,0,2]=4
24  B10R1.78  O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,1]=4
25  B10R1.135  CCOC(=O)C1CC1CO F13437 [1,0,0,1,0,0|1,0,1]=4
26  B10R1.135  CCOC(=O)[C@H]1C[C@H]1CO F50050 [1,0,0,1,0,0|1,0,1]=4
27  B10R1.137  CCOC(=O)CC1CNC1 D80644 [1,0,0,1,0,0|1,0,1]=4
28  B10R1.137  CCOC(=O)CC1COC1 82536 [1,0,0,1,0,0|1,0,1]=4
29  B12R1.925  C=CCOC(=O)N[C@H]1CC[C@@H]1N P17943 [0,1,0,1,0,0|1,0,0]=3