0  B7R1.3  NN1CCCCC1 T0533 [1,0,0,0,0,0|2,0,0]=3
1  B7R1.3  O=C1CCCCO1 T4821 [1,0,0,0,0,0|1,0,0]=2
2  B9R1.69  CC1CNC(=O)NC1=O T0532 [0,1,0,0,0,0|2,0,1]=4
3  B7R0.3  COC(=O)CCCN T22364 [0,0,1,0,0,0|2,0,0]=3
4  B7R0.6  CC(=O)CCC(=O)O T5551 [0,0,1,0,0,0|2,0,1]=4
5  B6R0.1  COC(=O)CCN T8097 [1,0,1,0,0,0|2,0,0]=4
6  B6R0.4  CSCCC(=O)O T5285 [1,0,1,0,0,0|2,0,0]=4
7  B6R0.4  NCCCC(=O)O T0508 [1,0,1,0,0,0|2,0,0]=4
8  B6R0.6  CC\C=C/CCO T22295 [1,0,1,0,0,0|1,0,1]=4
9  B8R0.3  O=CC[C@H](O)[C@H](O)CO T4818 [0,1,1,0,0,0|2,0,0]=4
10  B8R0.6  CCCCCC(O)CC TN1267 [0,1,1,0,0,0|0,0,2]=4
11  B8R0.25  CCP(=O)(O)CCCN T22647 [0,1,1,0,0,0|2,0,0]=4
12  B8R0.23  CC(C)C(N)CC(=O)O T5569 [0,1,1,0,0,0|1,0,0]=3
13  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,1,1,0,0,0|1,0,1]=4
14  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,1,1,0,0,0|1,0,0]=3
15  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,1,0,0,0|1,0,0]=3
16  B8R0.23  CC(C)C[C@H](O)C(=O)O T5294 [0,1,1,0,0,0|1,0,0]=3
17  B8R1.4  CC1CCCC(C)N1 T1007 [1,1,0,0,0,0|1,0,1]=4
18  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [1,1,0,0,0,0|1,0,1]=4
19  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [1,1,0,0,0,0|0,0,2]=4
20  B8R1.72  C[N+]1([O-])CCOCC1 T0636 [1,1,0,0,0,0|2,0,0]=4
21  B10R1.13  C=C(C)[C@@H]1CC=C(C)CC1 T8026 [0,2,0,0,0,0|1,0,1]=4
22  B10R1.13  O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,2,0,0,0,0|1,0,1]=4
23  B6R0.2  CC(C)CC(=O)O T5609 [0,0,1,0,1,0|1,0,0]=3
24  B6R0.2  CC(C)CC(N)=O T0361 [0,0,1,0,1,0|1,0,0]=3
25  B6R0.2  CC(O)CC(=O)O T4947 [0,0,1,0,1,0|2,0,0]=4
26  B6R0.2  CN(C)CC(=O)O T4120 [0,0,1,0,1,0|2,0,0]=4
27  B6R0.2  C[C@@H](O)CC(=O)O T5248 [0,0,1,0,1,0|2,0,0]=4
28  B6R0.2  C[C@H](O)CC(=O)O T13979 [0,0,1,0,1,0|2,0,0]=4
29  B6R1.2  O=C1NCCN1 T0630 [1,0,0,0,1,0|2,0,0]=4
30  B8R0.28  CC(C)CCCC(C)N T0043 [0,0,1,0,0,1|1,0,1]=4
31  B8R0.28  CC(C)CCCC(C)N T22389 [0,0,1,0,0,1|1,0,1]=4