0  B8R0.4  CCCCCCCCC DD9 [1,0,0,0,0,0|1,0,1]=3
1  B8R0.4  CCCCCCCCO OC9 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.4  CCOCCOCCO AE3 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.6  C(CCN)CC(=O)NO 5XA [1,0,0,0,0,0|3,0,0]=4
4  B10R0.2  CCOC(=O)C[C@@H](CC#N)O 1H1 [0,1,0,0,0,0|1,0,1]=3
5  B10R0.3  COCC(=O)CCCC(O)O M1T [0,1,0,0,0,0|3,0,0]=4
6  B10R0.6  CCCCCC(=O)CC(=O)O OOA [0,1,0,0,0,0|2,0,1]=4
7  B10R0.91  CCCCC[C@@H](CCCO)O HND [0,1,0,0,0,0|1,0,2]=4
8  B7R0.1  CCCCCCCC OCT [2,0,0,0,0,0|0,0,1]=3
9  B7R0.1  CCCCCCCO HE4 [2,0,0,0,0,0|1,0,1]=4
10  B7R0.3  COC(=O)CCCN GVE [2,0,0,0,0,0|1,0,0]=3
11  B7R0.7  CCOP(=O)OCC DEP [2,0,0,0,0,0|2,0,0]=4
12  B7R0.4  C(CCO)CC(=O)O SHO [2,0,0,0,0,0|1,0,0]=3
13  B7R0.4  C(CC[NH3+])CC(=O)O DAV [2,0,0,0,0,0|1,0,0]=3
14  B7R0.4  C(COCC(=O)O)O VKC [2,0,0,0,0,0|2,0,0]=4
15  B7R0.4  C(CSCC(=O)O)N ESD [2,0,0,0,0,0|2,0,0]=4
16  B7R0.4  CCCCCC(=O)C HTX [2,0,0,0,0,0|0,0,0]=2
17  B7R0.4  CCCCCC(=O)O 6NA [2,0,0,0,0,0|0,0,0]=2
18  B7R0.4  CCCCOC(=O)C 8JZ [2,0,0,0,0,0|1,0,0]=3
19  B9R0.66  CCCN[P@](=O)(O)OCC TC5 [1,1,0,0,0,0|2,0,0]=4
20  B9R0.45  CCCCCCCCCC D10 [1,1,0,0,0,0|1,0,1]=4
21  B9R0.45  CCCCCCCCCO F09 [1,1,0,0,0,0|1,0,1]=4
22  B9R0.45  CCOCCOCCOC ME2 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.47  CCCCNC(=O)[C@H](C)N UM2 [1,1,0,0,0,0|1,0,0]=3
24  B11R0.304  CCCCCC[P@](=O)(O)OCC HEE [0,2,0,0,0,0|1,0,0]=3
25  B9R1.75  CCOC(=O)C[C@H]1CO1 IXW [1,0,0,1,0,0|1,0,0]=3
26  B9R1.3  CC1C(=O)CCCC1=O 70V [1,0,0,1,0,0|1,0,1]=4
27  B9R1.11  CNC(=O)[C@@H]1CCCN1 9PR [1,0,0,1,0,0|2,0,0]=4
28  B9R1.11  COC(=O)[C@@H]1CCCN1 PLJ [1,0,0,1,0,0|1,0,0]=3
29  B9R1.11  COC(=O)[C@H]1CCCN1 PDW [1,0,0,1,0,0|1,0,0]=3
30  B11R1.27  CCCCC[C@@H]1CC[C@H](O1)O HNB [0,1,0,1,0,0|1,0,1]=4
31  B11R1.27  CCCCC[C@H]1CC[C@@H](O1)O 2LE [0,1,0,1,0,0|1,0,1]=4