0  B7R1.3  NN1CCCCC1 T0533 [0,0,0,0,0,0|1,0,0]=1
1  B7R1.3  O=C1CCCCO1 T4821 [0,0,0,0,0,0|2,0,1]=3
2  B8R1.3  OC1COC(O)CO1 T4748 [0,1,0,0,0,0|3,0,0]=4
3  B8R1.4  CC1CCCC(C)N1 T1007 [0,1,0,0,0,0|2,0,0]=3
4  B8R1.4  C[C@@H]1CCN=C(N)S1 T22569 [0,1,0,0,0,0|2,0,1]=4
5  B8R1.5  N[C@@H]1CCCC[C@H]1N T0164 [0,1,0,0,0,0|0,0,0]=1
6  B8R1.5  O[C@@H]1CCCC[C@H]1O T4763 [0,1,0,0,0,0|1,0,0]=2
7  B8R1.72  C[N+]1([O-])CCOCC1 T0636 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.6  CC\C=C/CCO T22295 [0,0,1,0,0,0|1,0,2]=4
9  B6R0.6  COCCCCO T7022 [0,0,1,0,0,0|2,0,0]=3
10  B6R0.6  ClCCNCCCl T0565 [0,0,1,0,0,0|3,0,0]=4
11  B6R0.6  NCCCCCN T4895 [0,0,1,0,0,0|1,0,0]=2
12  B5R0.1  C[C@@H](O)CCO T19538 [1,0,1,0,0,0|2,0,0]=4
13  B5R0.2  NCCCCN T22213 [1,0,1,0,0,0|1,0,0]=3
14  B7R0.2  CC(C)C[C@H](N)CO T5652 [0,1,1,0,0,0|1,0,0]=3
15  B7R0.5  CCCC(N)C(=O)O T11054 [0,1,1,0,0,0|1,0,1]=4
16  B7R0.5  CCC[C@H](N)C(=O)O T4788 [0,1,1,0,0,0|1,0,1]=4
17  B7R0.4  CCCCCC(C)N T0359 [0,1,1,0,0,0|0,0,0]=2
18  B7R0.1  NCCCNCCS TQ0133 [0,1,1,0,0,0|1,0,0]=3
19  B7R1.4  NC1CCSC1=O T5968 [0,1,0,0,1,0|1,0,1]=4
20  B7R1.4  N[C@H]1CCSC1=O T19393 [0,1,0,0,1,0|1,0,1]=4
21  B9R1.6  O=C(O)C1CCCCC1 T5563 [0,2,0,0,0,0|1,0,0]=3
22  B9R1.6  O=C(O)C1CCCCN1 T4819 [0,2,0,0,0,0|2,0,0]=4
23  B9R1.6  O=C(O)C1CCNCC1 T22348 [0,2,0,0,0,0|2,0,0]=4
24  B9R1.6  O=C(O)[C@@H]1CCCCN1 T4762 [0,2,0,0,0,0|2,0,0]=4
25  B9R1.6  O=C(O)[C@@H]1CCCNC1 T22482 [0,2,0,0,0,0|2,0,0]=4
26  B9R1.6  O=C(O)[C@H]1CCCCN1 T13634 [0,2,0,0,0,0|2,0,0]=4