0  B5R0.1  CC(O)CCO D10695 [0,0,1,0,0,0|1,1,0]=3
1  B5R0.1  CC(O)C[197Hg]O D04940 [0,0,1,0,0,0|2,1,0]=4
2  B5R0.1  CCCC(=O)[O-] D08998 [0,0,1,0,0,0|1,1,1]=4
3  B5R0.1  CCOC(C)=O D02319 [0,0,1,0,0,0|1,1,1]=4
4  B5R0.1  CN(C)CCO D07777 [0,0,1,0,0,0|3,0,0]=4
5  B5R0.1  CN(C)CCS D03376 [0,0,1,0,0,0|3,0,0]=4
6  B5R0.3  OCC(O)CO D00028 [0,0,1,0,0,0|2,1,0]=4
7  B5R0.3  OCC(O)CS D05075 [0,0,1,0,0,0|2,1,0]=4
8  B5R0.3  OCC(S)CS D00167 [0,0,1,0,0,0|2,0,0]=3
9  B5R1.2  O=C1CCO1 D05630 [0,0,0,0,1,0|1,1,1]=4
10  B4R0.1  CC(O)CO D00078 [1,0,1,0,0,0|1,1,0]=4
11  B4R0.1  [*]CC([*])C D05545 [1,0,1,0,0,0|2,0,0]=4
12  B4R0.2  CCCCO D03200 [1,0,1,0,0,0|0,1,0]=3
13  B4R0.2  CCOCC D01772 [1,0,1,0,0,0|1,0,0]=3
14  B4R0.2  COCCO D05554 [1,0,1,0,0,0|1,1,0]=4
15  B6R0.2  CC(=O)CC(C)C D04989 [0,1,1,0,0,0|0,1,1]=4
16  B6R0.2  CC(C)NC(C)C D01816 [0,1,1,0,0,0|2,0,0]=4
17  B6R0.2  CC(C)[NH2+]C(C)C D07842 [0,1,1,0,0,0|2,0,0]=4
18  B6R0.6  OCCNCCO D02337 [0,1,1,0,0,0|1,1,0]=4
19  B8R1.5  N[C@@H]1CCCC[C@H]1N D01790 [0,1,0,0,0,1|1,0,0]=3
20  B8R1.5  N[C@@H]1CCCC[C@H]1N D03723 [0,1,0,0,0,1|1,0,0]=3
21  B8R1.5  N[C@@H]1CCCC[C@H]1N D05272 [0,1,0,0,0,1|1,0,0]=3
22  B8R1.7  O=C(O)[C@@H]1CCCN1 D00035 [0,2,0,0,0,0|1,1,0]=4
23  B6R1.1  C1CNCCN1 D00807 [0,0,1,1,0,0|2,0,0]=4
24  B6R1.1  C1CNCCN1 D01393 [0,0,1,1,0,0|2,0,0]=4
25  B6R1.1  C1CNCCN1 D08381 [0,0,1,1,0,0|2,0,0]=4
26  B6R1.1  C1CNCCN1 D09653 [0,0,1,1,0,0|2,0,0]=4
27  B4R1.2  CC1CO1 D01941 [0,0,0,0,2,0|2,0,0]=4
28  B4R1.2  CC1CO1 D09803 [0,0,0,0,2,0|2,0,0]=4
29  B4R1.2  CC1CO1 D10680 [0,0,0,0,2,0|2,0,0]=4
30  B8R1.22  O=C1CCCCCO1 D05540 [0,0,0,0,0,2|0,1,1]=4