0  B7R0.9  CC(O)CC(C)(C)C BB31-5872 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.2  CC(C)C[N+](=O)[O-] BB32-3569 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.5  CC(C)(C)CCN BB31-4614 [1,0,0,0,0,0|2,0,1]=4
3  B6R0.5  CC(C)(C)\C=N\O BB32-2942 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.24  COC(=O)CC(C)(C)O BB32-3552 [0,1,0,0,0,0|2,0,0]=3
5  B8R0.27  CC(C)(C)[C@@H](O)C(=O)O BB31-7670 [0,1,0,0,0,0|1,0,0]=2
6  B8R0.27  CC(C)(C)[C@H](O)C(=O)O BB31-5424 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.27  CC(C)(O)[C@H](N)C(=O)O BB31-5147 [0,1,0,0,0,0|2,0,0]=3
8  B8R1.51  CC1(C)CCC(=O)O1 BB31-8004 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.51  CC1(C)COC(=O)C1 BB31-2397 [0,0,0,1,0,0|1,0,0]=2
10  B8R1.77  O=C(O)[C@@H]1CC1(F)F BB31-4050 [0,0,0,1,0,0|3,0,0]=4
11  B8R1.77  O=C(O)[C@H]1CC1(F)F BB31-3198 [0,0,0,1,0,0|3,0,0]=4
12  B5R0.1  COCC(N)=O BB31-3207 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.1  O=C(O)CCF BB32-2513 [2,0,0,0,0,0|2,0,0]=4
14  B7R0.2  CCC(N)CC(=O)O BB31-5235 [1,1,0,0,0,0|2,0,0]=4
15  B7R0.2  CC[C@H](N)CC(=O)O BB31-2771 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.16  CC(C)C(C)C(=O)O BB31-8342 [1,1,0,0,0,0|1,0,0]=3
17  B7R0.11  CC(C)(CO)CCO BB31-8012 [1,1,0,0,0,0|1,0,1]=4
18  B7R0.13  CC(=O)C(C)(C)CO BB32-0806 [0,1,0,0,1,0|2,0,0]=4
19  B7R0.13  CC(C)(CN)C(=O)O BB31-3976 [0,1,0,0,1,0|1,0,0]=3
20  B7R0.13  CC(C)(CN)C(=O)O BB31-5761 [0,1,0,0,1,0|1,0,0]=3
21  B7R0.13  C[C@@](N)(CO)C(=O)O BB31-6838 [0,1,0,0,1,0|2,0,0]=4
22  B9R0.10  CC(C)(C)[C@H](N)CC(=O)O BB31-5066 [0,1,0,0,0,1|1,0,0]=3
23  B9R0.21  CCC(=O)CNC(C)(C)C BB54-2744 [0,1,0,0,0,1|2,0,0]=4
24  B9R0.57  CC(C)(C)C[C@@H](N)C(=O)O BB31-4655 [0,1,0,0,0,1|1,0,0]=3
25  B9R0.44  CC(C)(C)OC(=O)CCO BB31-6301 [0,2,0,0,0,0|2,0,0]=4
26  B9R0.44  CC(C)(C)OC(=O)CON BB32-3298 [0,2,0,0,0,0|2,0,0]=4
27  B9R0.58  CCCC(C)(O)CC(=O)O BB31-4704 [0,2,0,0,0,0|2,0,0]=4
28  B7R1.2  O=C1CC(O)CO1 BB31-5337 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.12  C[C@@H]1C[C@H]1C(=O)O BB32-3490 [1,0,0,1,0,0|1,0,0]=3
30  B7R1.12  C[C@H]1C[C@@H]1C(=O)O BB32-0696 [1,0,0,1,0,0|1,0,0]=3
31  B7R1.12  O=C(O)[C@@H]1C[C@H]1F BB31-3334 [1,0,0,1,0,0|2,0,0]=4
32  B7R1.16  CC1(C)CC(=O)N1 BB32-2836 [1,0,0,1,0,0|2,0,0]=4
33  B7R1.19  CC1(C(N)=O)CC1 BB31-3052 [0,0,0,1,1,0|2,0,0]=4
34  B7R1.19  O=C(O)C1(Br)CC1 BB31-8489 [0,0,0,1,1,0|2,0,0]=4
35  B9R1.164  C[C@]1(O)C[C@@H](C(=O)O)C1 BB31-2410 [0,0,0,1,0,1|2,0,0]=4
36  B9R2.143  O=C(O)C1CC12CC2 BB32-0327 [0,0,0,2,0,0|1,0,0]=3
37  B7R0.6  CC(N)CCC(=O)O BB31-2419 [1,0,0,0,0,1|2,0,0]=4