0  B10R1.10  CCNC1=CC(=O)CCC1 13498 [0,0,0,0,0,0|2,0,1]=3
1  B10R1.10  CCOC1=CC(=O)CCC1 19990 [0,0,0,0,0,0|2,0,1]=3
2  B10R1.10  CCOC1CSCC(=O)N1 13347 [0,0,0,0,0,0|3,0,0]=3
3  B9R1.2  CNC1=CC(=O)CCC1 13308 [1,0,0,0,0,0|2,0,1]=4
4  B9R0.2  CCCCCC\C=C(\C)I 102863 [0,0,1,0,0,0|2,0,1]=4
5  B9R0.2  O=C(O)CCCCCCBr 102846 [0,0,1,0,0,0|1,0,0]=2
6  B9R1.7  [NH2+](C)C[C@H]1CCC(=O)O1 21997 [0,0,0,0,1,0|1,0,0]=2
7  B8R0.4  CCCCCCCCF 102297 [1,0,1,0,0,0|1,0,1]=4
8  B8R0.4  CCC\C=C\CCCC 102651 [1,0,1,0,0,0|1,0,0]=3
9  B8R0.7  CCCC\C=C\C(=O)O 16793 [1,0,1,0,0,0|0,0,2]=4
10  B8R1.4  CC1=CC(=O)CCC1 19984 [2,0,0,0,0,0|1,0,1]=4
11  B10R0.55  O=C(O)CCCCC(F)CBr 102155 [0,1,1,0,0,0|1,0,0]=3
12  B10R0.97  C=C(F)CCCCCC(=O)O 102314 [0,1,1,0,0,0|0,0,2]=4
13  B10R0.91  CCCC\C=C(\Br)CCCC 102630 [0,1,1,0,0,0|2,0,0]=4
14  B10R1.14  CNC(=O)[C@H]1CCC(=O)O1 22000 [0,1,0,0,1,0|1,0,1]=4
15  B10R1.54  [NH+](C)(C)C[C@H]1CCC(=O)O1 21996 [0,1,0,0,1,0|1,0,0]=3
16  B12R2.24  O=C1CCN2CCCCC2C1 15270 [0,1,0,1,0,0|2,0,0]=4
17  B8R1.1  O=C1CC[C@H](CBr)N1 22002 [1,0,0,0,1,0|2,0,0]=4
18  B8R1.1  O=C1CC[C@H](CBr)O1 21988 [1,0,0,0,1,0|1,0,0]=3
19  B8R1.1  [NH3+]C[C@H]1CCC(=O)O1 21998 [1,0,0,0,1,0|1,0,0]=3
20  B8R1.11  CCC1=CCCC1=O 16118 [1,0,0,0,1,0|0,0,2]=4
21  B8R1.11  CCC1CC=CC1=O 16117 [1,0,0,0,1,0|0,0,2]=4