0  B16R0.1188  CCCCCCCCCCCCCS(=O)(=O)[O-] D91129 [0,0,0,0,0,0|1,0,1]=2
1  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)O D70166 [0,0,0,0,0,0|0,0,0]=0
2  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)[O-] D78069 [0,0,0,0,0,0|0,0,1]=1
3  B15R0.164  CCCCCCCCCCCCCC(=O)Cl D97669 [1,0,0,0,0,0|3,0,0]=4
4  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] D95384 [1,0,0,0,0,0|2,0,1]=4
5  B15R0.164  CCCCCCCCCCCCCC(C)=O D92066 [1,0,0,0,0,0|3,0,0]=4
6  B15R0.164  CCCCCCCCCCCCOC(=O)Cl 35718 [1,0,0,0,0,0|2,0,0]=3
7  B15R0.252  CCCCCCCCCCCCP(=O)(O)O D90334 [1,0,0,0,0,0|1,0,1]=3
8  B15R0.252  CCCCCCCCCCCCS(=O)(=O)Cl F20459 [1,0,0,0,0,0|1,0,0]=2
9  B15R0.252  CCCCCCCCCCCCS(=O)(=O)[O-] 28696 [1,0,0,0,0,0|0,0,1]=2
10  B15R0.252  CCCCCCCCCCCOS(=O)(=O)[O-] D93200 [1,0,0,0,0,0|0,0,1]=2
11  B15R0.252  O=P(O)(O)CCCCCCCCCCCO D86953 [1,0,0,0,0,0|2,0,1]=4
12  B14R0.392  CCCCCCCCCCCCCC=O H10276 [2,0,0,0,0,0|2,0,0]=4
13  B14R0.392  CCCCCCCCCCCCCCO D77653 [2,0,0,0,0,0|2,0,0]=4
14  B14R0.392  CCCCCCCCCCCCOC=O D93435 [2,0,0,0,0,0|1,0,0]=3
15  B14R0.394  CCCCCCCCCCCCB(O)O H11393 [2,0,0,0,0,0|1,0,1]=4
16  B14R0.394  CCCCCCCCCCCCC(=O)O H10745 [2,0,0,0,0,0|1,0,0]=3
17  B14R0.394  CCCCCCCCCCCC[S@](C)=O D70250 [2,0,0,0,0,0|1,0,1]=4
18  B14R0.394  O=C(O)CCCCCCCCCCCBr F13219 [2,0,0,0,0,0|2,0,0]=4
19  B14R0.394  O=C(O)CCCCCCCCCCCO O10368 [2,0,0,0,0,0|2,0,0]=4
20  B14R0.88  CCCCCCCCCCCP(=O)(O)O T72552 [2,0,0,0,0,0|1,0,1]=4
21  B14R0.88  CCCCCCCCCCCS(=O)(=O)[O-] F17202 [2,0,0,0,0,0|0,0,1]=3
22  B14R0.88  CCCCCCCCCCOS(=O)(=O)[O-] D78385 [2,0,0,0,0,0|0,0,1]=3
23  B16R0.221  C=CC(=O)OCCCCCCCCCCCC F20309 [1,1,0,0,0,0|2,0,0]=4
24  B16R0.221  CCCCCCCCCCCCCC(=O)OC H10750 [1,1,0,0,0,0|2,0,0]=4
25  B16R0.274  CCCCCCCCCCCCCCC(=O)O H10804 [1,1,0,0,0,0|2,0,0]=4
26  B16R0.274  CCCCCCCCCCCCCOC(C)=O D88438 [1,1,0,0,0,0|2,0,0]=4
27  B16R0.274  O=C(O)CCCCCCCCCCCCCS D70092 [1,1,0,0,0,0|2,0,0]=4
28  B16R1.27  CCCCCCCCC[C@H]1CCCC(=O)O1 D92454 [1,0,0,1,0,0|2,0,0]=4