0  B7R0.2  CNC(C)CC(=O)O 4090195 [1,0,0,0,0,0|1,0,0]=2
1  B7R0.5  CNCC(C)C(=O)O 4088272 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.16  C[C@@H](C(=O)O)N(C)C 4053971 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.16  C[C@H](C(=O)O)N(C)C 4078952 [1,0,0,0,0,0|2,0,0]=3
4  B9R1.41  CN1CC=CC1C(=O)O 4029308 [0,0,0,1,0,0|2,0,1]=4
5  B9R1.41  CN1CCC[C@H]1C(=O)O 4090456 [0,0,0,1,0,0|2,0,0]=3
6  B9R1.41  CN1CSC[C@H]1C(=O)O 4088259 [0,0,0,1,0,0|3,0,0]=4
7  B9R1.41  C[C@H]1OCC[C@H]1C(=O)O 4061662 [0,0,0,1,0,0|2,0,0]=3
8  B9R1.110  CC(C(=O)O)N1CCC1 4045545 [0,0,0,1,0,0|2,0,0]=3
9  B6R0.2  CC(=O)CC(C)N 4022442 [2,0,0,0,0,0|2,0,0]=4
10  B6R0.2  CC(=O)CC(C)N 4089784 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.2  CC(C)CC(=N)N 4089840 [2,0,0,0,0,0|2,0,0]=4
12  B6R0.4  CCCCC(=N)N 4090419 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  CNCCC(=O)O 4088781 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.4  CNCCC(N)=O 4090391 [2,0,0,0,0,0|2,0,0]=4
15  B6R0.3  CN[C@@H](C)C(N)=O 4077652 [2,0,0,0,0,0|1,0,1]=4
16  B6R0.3  CN[C@H](C)C(N)=O 4076581 [2,0,0,0,0,0|1,0,1]=4
17  B8R0.16  CCN(CC)CC(=O)O 4088211 [1,1,0,0,0,0|1,0,0]=3
18  B8R0.23  CC(C)C(N)CC(=O)O 3020223 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.23  CC(C)[C@H](N)CC(=O)O 4106166 [1,1,0,0,0,0|1,0,0]=3
20  B8R0.23  CC(CC(=O)O)N(C)C 4088130 [1,1,0,0,0,0|1,0,0]=3
21  B8R0.3  COC(=O)[C@@H](N)CSC 4090948 [1,1,0,0,0,0|1,0,0]=3
22  B8R1.1  CCC1CCC(=O)N1 4027451 [1,0,0,1,0,0|2,0,0]=4
23  B8R1.1  CCC1CNC(=O)C1 4026756 [1,0,0,1,0,0|1,0,0]=3
24  B8R1.5  NC1CCCNC1=O 4089547 [1,0,0,1,0,0|1,0,0]=3
25  B8R1.23  O=C(O)C1CC(O)C1 4028966 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.23  O=C(O)[C@H]1C[C@@H](O)C1 4045921 [1,0,0,1,0,0|2,0,0]=4
27  B8R1.11  CC[C@H]1CCC[C@H]1N 4015651 [1,0,0,1,0,0|1,0,1]=4
28  B10R1.113  CN1CCNC(C(=O)O)C1 4090798 [0,0,0,1,0,1|1,0,0]=3
29  B10R1.59  CN1C[C@@H](N)C[C@H]1C(=O)O 4036533 [0,1,0,1,0,0|2,0,0]=4
30  B10R1.59  CN1C[C@H](N)C[C@H]1C(=O)O 4036534 [0,1,0,1,0,0|2,0,0]=4
31  B10R1.61  CN1CCCCC1C(=O)O 4089496 [0,1,0,1,0,0|2,0,0]=4
32  B10R1.61  CN1CCNCC1C(=O)O 4089723 [0,1,0,1,0,0|1,0,0]=3
33  B10R1.61  CN1CCOCC1C(=O)O 4402104 [0,1,0,1,0,0|2,0,0]=4
34  B10R1.39  CCN1CCCC1C(=O)O 4034157 [0,1,0,1,0,0|2,0,0]=4
35  B10R1.39  CCN1CCC[C@@H]1C(=O)O 4063390 [0,1,0,1,0,0|2,0,0]=4