0  B5R0.1  CC(O)CCO D10695 [0,0,0,0,0,0|2,1,1]=4
1  B5R0.1  CC(O)C[197Hg]O D04940 [0,0,0,0,0,0|3,1,0]=4
2  B5R0.1  CN(C)CCO D07777 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.1  CN(C)CCS D03376 [0,0,0,0,0,0|2,0,2]=4
4  B4R0.1  CC(O)CO D00078 [1,0,0,0,0,0|1,1,1]=4
5  B4R0.1  [*]CC([*])C D05545 [1,0,0,0,0,0|2,0,1]=4
6  B4R0.2  CCCCO D03200 [1,0,0,0,0,0|1,1,1]=4
7  B4R0.2  CCOCC D01772 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.2  CC(=O)CC(C)C D04989 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.2  CC(C)CC(N)=O D04637 [0,1,0,0,0,0|1,1,1]=4
10  B6R0.2  CC(C)NC(C)C D01816 [0,1,0,0,0,0|1,0,2]=4
11  B6R0.2  CC(C)[NH2+]C(C)C D07842 [0,1,0,0,0,0|1,0,2]=4
12  B3R0.1  CCCC D03186 [2,0,0,0,0,0|1,0,1]=4
13  B3R0.2  CC(C)=O D02311 [2,0,0,0,0,0|0,1,1]=4
14  B3R0.2  CC(C)C D04623 [2,0,0,0,0,0|0,0,1]=3
15  B3R0.2  CC(C)N D04609 [2,0,0,0,0,0|0,0,1]=3
16  B3R0.2  CC(C)O D00137 [2,0,0,0,0,0|0,1,0]=3
17  B3R0.2  CS(C)=O D01043 [2,0,0,0,0,0|1,1,0]=4
18  B5R0.4  CCC(C)(C)O D02931 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.2  C=CCN=C=S D02818 [1,1,0,0,0,0|0,0,1]=3