0  B8R0.5  CCOC(=O)CC(=O)O T4773 [0,0,1,0,0,0|3,0,0]=4
1  B8R0.5  CCOC(=O)CC(=O)[O-] T22328 [0,0,1,0,0,0|3,0,0]=4
2  B8R0.7  NCCCCCC(=O)O T0881 [0,0,1,0,0,0|1,0,1]=3
3  B8R0.19  COC(=O)CC(=O)OC T5695 [0,0,1,0,0,0|3,0,0]=4
4  B10R2.71  O=C1CC2CCC(C1)N2 T1702 [0,0,0,1,0,0|2,0,1]=4
5  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,0,0,0,1,0|2,0,0]=3
6  B7R0.3  COC(=O)CCCN T22364 [1,0,1,0,0,0|1,0,1]=4
7  B7R0.2  COC(=O)CC(C)=O T4851 [1,0,1,0,0,0|2,0,0]=4
8  B7R0.4  NCCCCC(=O)O T5089 [1,0,1,0,0,0|1,0,0]=3
9  B9R0.2  CCCCCCCC(=O)O T3946 [0,1,1,0,0,0|1,0,1]=4
10  B9R0.47  C=CCSC[C@H](N)C(=O)O T2772 [0,1,1,0,0,0|2,0,0]=4
11  B9R0.47  NCCCCC(N)C(=O)O T19290 [0,1,1,0,0,0|1,0,1]=4
12  B9R0.47  NCCCC[C@H](N)C(=O)O T2A2498 [0,1,1,0,0,0|1,0,1]=4
13  B9R0.47  NCCCC[C@H](N)C(=O)O T8071 [0,1,1,0,0,0|1,0,1]=4
14  B9R0.55  CC(=O)NCCCC(=O)O T4728 [0,1,1,0,0,0|1,0,0]=3
15  B9R0.55  N=C(N)NCCCC(=O)O T4927 [0,1,1,0,0,0|2,0,0]=4
16  B9R0.55  O=C(O)CCCCC(=O)O T2228 [0,1,1,0,0,0|0,0,0]=2
17  B9R0.55  O=C(O)CCCCC(=O)O T7146 [0,1,1,0,0,0|0,0,0]=2
18  B9R0.55  O=C(O)C\C=C\CC(=O)O T5246 [0,1,1,0,0,0|0,0,2]=4
19  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,1,0,0,1,0|2,0,0]=4
20  B9R1.6  O=C(O)C1CCCCC1 T5563 [0,0,1,1,0,0|1,0,1]=4
21  B9R1.6  O=C(O)C1CCCCN1 T4819 [0,0,1,1,0,0|1,0,1]=4
22  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [0,0,1,1,0,0|1,0,1]=4
23  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [0,0,1,1,0,0|2,0,0]=4
24  B9R1.6  O=C(O)[C@H]1CCCCN1 T13634 [0,0,1,1,0,0|1,0,1]=4
25  B11R2.67  O=C1CCC2CCC(=O)N12 T16783 [0,0,0,1,0,1|1,0,0]=3
26  B7R0.5  CCCC(=O)C(=O)O T13484 [0,0,1,0,1,0|1,0,0]=3
27  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,0,1,0|0,0,0]=2
28  B7R1.4  C=C1CCOC1=O T5320 [0,0,0,0,2,0|2,0,0]=4