0  B8R0.7  CC#CCCCC(=O)O 2521-1-09 [1,0,0,0,0,0|1,0,2]=4
1  B8R0.7  NOCCCCC(=O)O 4121-9-01 [1,0,0,0,0,0|2,0,0]=3
2  B10R1.54  CN1CCC(CC(=O)O)C1 4H21-5-2L [0,0,0,1,0,0|3,0,0]=4
3  B10R1.54  O=C(O)C[C@@H]1CCC(=O)N1 4H48-1-SN [0,0,0,1,0,0|1,0,0]=2
4  B10R1.82  O=C(O)CCC1CC(=O)C1 2229-1-0R [0,0,0,1,0,0|1,0,0]=2
5  B10R1.113  N[C@@H]1CCC[C@@H](C(=O)O)C1 4258-5-15 [0,0,0,1,0,0|2,0,1]=4
6  B10R1.113  O=C1CCCC(C(=O)O)C1 2229-1-X0 [0,0,0,1,0,0|1,0,0]=2
7  B10R1.113  [C@H]1(N)CCC[C@H](C(=O)O)C1 4257-5-11 [0,0,0,1,0,0|2,0,1]=4
8  B10R1.128  CC1(C)CCCC1C(=O)O 2221-1-13 [0,0,0,1,0,0|2,0,1]=4
9  B10R1.361  CC(=O)N1CCC1C(=O)O 4H58-1-145 [0,0,0,1,0,0|2,0,0]=3
10  B7R0.4  O=C(O)CCCCO 2120-1-00 [2,0,0,0,0,0|0,0,0]=2
11  B9R0.47  C#CCCC[C@@H](N)C(=O)O 4557-1-R0 [1,1,0,0,0,0|1,0,1]=4
12  B9R0.47  C#CCCC[C@H](N)C(=O)O 4557-1-S0 [1,1,0,0,0,0|1,0,1]=4
13  B9R0.47  C=CCCC[C@H](N)C(=O)O 4357-1-S2 [1,1,0,0,0,0|1,0,0]=3
14  B9R1.2  O=C1CCCC(CO)C1 2220-1-01 [1,0,0,1,0,0|1,0,1]=4
15  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O 4257-5-00 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.41  O=C(O)[C@@H]1NCC[C@@H]1O 4H58-3-1H [1,0,0,1,0,0|1,0,1]=4
17  B9R1.35  O=C1CCC(C(=O)Cl)N1 4H48-5-DJ [0,0,0,1,1,0|2,0,0]=4
18  B9R1.35  O=C1CC[C@@H](C(=O)O)C1 2229-1-R2 [0,0,0,1,1,0|1,0,0]=3
19  B9R1.35  O=C1CC[C@H](C(=O)O)C1 2229-1-S2 [0,0,0,1,1,0|1,0,0]=3
20  B9R1.53  O=C(O)CC1CC(=O)C1 2229-1-0N [0,0,0,1,1,0|1,0,0]=3