0  B6R0.2  CC(C)=CC(=O)O BBP04714 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.2  CC(C)CC(N)=O T0361 [0,0,0,0,0,0|2,0,2]=4
2  B6R0.2  CC(O)CC(=O)O T4947 [0,0,0,0,0,0|3,0,1]=4
3  B5R0.1  CCCC(=O)O T3943 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.2  COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|2,0,0]=3
5  B7R0.9  CC(=O)CC(C)(C)N BBP01274 [0,1,0,0,0,0|1,0,2]=4
6  B7R1.2  O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|2,0,1]=4
7  B5R0.5  CC(=O)C(=O)O T4804 [0,0,0,0,1,0|2,0,0]=3
8  B5R0.5  CC(=O)C(C)=O T4774 [0,0,0,0,1,0|1,0,0]=2
9  B5R0.5  CC(C)C(=O)O T4769 [0,0,0,0,1,0|1,0,2]=4
10  B5R0.5  C[C@@H](N)C(=O)O T4811 [0,0,0,0,1,0|2,0,1]=4
11  B5R0.5  C[C@H](N)C(=O)O TJO2729 [0,0,0,0,1,0|2,0,1]=4
12  B5R0.5  C[C@H](O)C(=O)O T4845 [0,0,0,0,1,0|2,0,1]=4
13  B5R0.5  O=C(O)C(=O)O T2O2680 [0,0,0,0,1,0|3,0,0]=4
14  B5R0.5  O=C(O)C(=O)O T5064 [0,0,0,0,1,0|3,0,0]=4
15  B7R0.6  CC(=O)NCC(=O)O T4822 [0,0,0,0,0,1|3,0,0]=4
16  B4R0.1  CCC(=O)O T4908 [2,0,0,0,0,0|1,0,1]=4
17  B4R0.1  O=CC(=O)O T4843 [2,0,0,0,0,0|2,0,0]=4
18  B6R0.3  C\C=C(\C)C(=O)O T3328 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.9  COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,1|2,0,0]=4
20  B6R1.2  O=C1CCCC1 T4800 [1,0,0,1,0,0|1,0,1]=4
21  B8R1.3  Cc1cnc(C)cn1 T4801 [0,0,0,1,0,1|2,0,0]=4
22  B8R1.1  CC1=CC=C(C=O)O1 TCP2934 [0,1,0,1,0,0|0,0,1]=3
23  B8R1.4  O=C1CCNC(=O)N1 T4886 [0,1,0,1,0,0|2,0,0]=4
24  B8R1.18  CN1CC(=O)N=C1N T0496 [0,1,0,1,0,0|2,0,0]=4