0  B9R0.2  CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|2,0,0]=2
1  B9R0.2  CCCCCCCC(=O)O T3946 [0,0,0,0,0,0|2,0,0]=2
2  B9R0.2  CCCCC\C=C\C(=O)O T5261 [0,0,0,0,0,0|2,0,1]=3
3  B8R0.4  CCCCCCCCO T10024 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.7  CC(=O)NCCCCN T7508 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.7  NCCCCCC(=O)O T0881 [1,0,0,0,0,0|2,0,0]=3
6  B10R0.3  CC(C)=CCCC(C)CCO T3240 [0,1,0,0,0,0|3,0,0]=4
7  B10R0.3  CC(C)=CCC[C@@H](C)CCO T8266 [0,1,0,0,0,0|3,0,0]=4
8  B10R0.4  CCCCCCCCC(=O)O T3947 [0,1,0,0,0,0|2,0,0]=3
9  B10R0.4  NCCCCCCCC(=O)O T8102 [0,1,0,0,0,0|2,0,0]=3
10  B10R0.75  CCCCCCC(O)C(=O)O T7481 [0,1,0,0,0,0|2,0,0]=3
11  B7R0.4  CCCCCC(C)N T0359 [2,0,0,0,0,0|1,0,1]=4
12  B7R0.4  NCCCCC(=O)O T5089 [2,0,0,0,0,0|2,0,0]=4
13  B9R0.47  NCCCCC(N)C(=O)O T19290 [1,1,0,0,0,0|2,0,0]=4
14  B9R0.47  NCCCC[C@H](N)C(=O)O T2A2498 [1,1,0,0,0,0|2,0,0]=4
15  B9R0.47  NCCCC[C@H](N)C(=O)O T8071 [1,1,0,0,0,0|2,0,0]=4
16  B11R0.30  CC(=O)NCCCCCC(=O)O T0436 [0,2,0,0,0,0|1,0,1]=4
17  B11R0.148  CCCCCCCCCC(=O)O T3379 [0,2,0,0,0,0|2,0,0]=4
18  B11R0.148  CCCCCCCCCC(=O)[O-] T21240 [0,2,0,0,0,0|2,0,0]=4
19  B11R0.148  CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|1,0,0]=3
20  B11R0.148  CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|0,0,0]=2
21  B11R0.148  CCCCCCC\C=C/C(=O)O TQ0251 [0,2,0,0,0,0|2,0,0]=4
22  B11R0.148  CCCCCCC\C=C\C(=O)O T7332 [0,2,0,0,0,0|2,0,0]=4
23  B11R0.176  O=C(O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|2,0,0]=4
24  B11R0.164  CCCCC(CC)CCC(=O)O T7456 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.6  O=C(O)C1CCCCC1 T5563 [1,0,0,1,0,0|1,0,0]=3
26  B9R1.6  O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|2,0,0]=4
27  B9R1.6  O=C(O)C1CCNCC1 T22348 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|2,0,0]=4
29  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [1,0,0,1,0,0|2,0,0]=4
30  B9R1.6  O=C(O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|2,0,0]=4
31  B11R2.432  CN1C2CCC1CC(=O)C2 Fr13711 [0,0,0,2,0,0|2,0,0]=4