0  B6R0.5  NCCP(=O)(O)O OR323272 [0,0,0,0,0,0|2,0,1]=3
1  B5R0.1  CCCC(C)O OR460068 [1,0,0,0,0,0|3,0,0]=4
2  B5R0.1  CCC[C@@H](C)O OR304039 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.1  CCC[C@H](C)O OR304040 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.1  C[C@@H](O)CCN OR304064 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  C[C@H](O)CCN OR304065 [1,0,0,0,0,0|3,0,0]=4
6  B5R0.1  C[C@H](O)CCO OR315271 [1,0,0,0,0,0|2,1,0]=4
7  B7R0.9  CS(=O)(=O)CC(N)=O OR470513 [0,1,0,0,0,0|1,1,1]=4
8  B4R0.1  CCC(=O)F PC3875 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.2  OCCCF PC1281 [2,0,0,0,0,0|2,0,0]=4
10  B4R0.2  OCCCO OR0974 [2,0,0,0,0,0|1,1,0]=4
11  B4R0.3  O=S(=O)([O-])F PC6267T [2,0,0,0,0,0|1,0,1]=4
12  B6R0.3  NC(CF)C(=O)O PC3379 [1,1,0,0,0,0|2,0,0]=4
13  B6R0.3  NCC(F)C(=O)O PC3387E [1,1,0,0,0,0|2,0,0]=4
14  B6R0.3  NC[C@H](N)C(=O)O OR5495 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.4  CCNCC(=O)O OR322207 [1,1,0,0,0,0|2,0,0]=4
16  B6R0.4  COCCC(=O)O OR315601 [1,1,0,0,0,0|1,1,0]=4
17  B6R0.7  O=S(=O)(Cl)C(F)F PC53298 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.21  COCCCS(=O)(=O)O OR470148 [0,2,0,0,0,0|0,1,0]=3
19  B8R0.21  CS(=O)(=O)OCCCF PC9175 [0,2,0,0,0,0|2,0,0]=4
20  B8R0.21  N#CCCCS(=O)(=O)[O-] OR470147 [0,2,0,0,0,0|1,0,1]=4
21  B8R0.29  CS(=O)(=O)OCC(F)F PC49275 [0,2,0,0,0,0|2,0,0]=4
22  B8R0.33  O=S(=O)(Cl)CC(F)(F)F PC7304 [0,2,0,0,0,0|2,0,0]=4
23  B8R0.33  O=S(=O)(F)CC(F)(F)Cl PC4110 [0,2,0,0,0,0|2,0,0]=4
24  B8R0.33  O=S(=O)(O)CC(F)(F)F PC49665 [0,2,0,0,0,0|1,0,0]=3
25  B8R0.12  CN(C)S(=O)(=O)CCN OR310074 [0,2,0,0,0,0|2,0,0]=4
26  B8R1.51  O=C1CCS(=O)(=O)C1 OR302453 [0,1,0,1,0,0|1,1,0]=4
27  B8R1.56  O=S(=O)(Cl)NC1CC1 OR471205 [0,1,0,1,0,0|2,0,0]=4
28  B8R1.72  O=S1(=O)CCCCO1 OR350023 [0,1,0,1,0,0|1,0,0]=3