0  B9R0.39  CC(C)C[C@@H](CN)C(=O)O BB31-9825 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.39  CC(C)C[C@H](CN)C(=O)O BB31-1945 [0,0,0,0,0,0|3,0,1]=4
2  B9R0.39  CC(C)C[C@H](CN)C(=O)O BB31-4160 [0,0,0,0,0,0|3,0,1]=4
3  B9R0.39  CN[C@@H](CC(N)=O)C(=O)O BB31-7264 [0,0,0,0,0,0|4,0,0]=4
4  B8R0.15  CCCC(CC)C(=O)O BB31-3760 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.23  CC(=O)C(C)CC(=O)O BB31-6096 [1,0,0,0,0,0|3,0,0]=4
6  B10R0.23  C#CCC(NC(C)=O)C(=O)O BB31-4215 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.18  CC(C)[C@@H](CN)C(=O)O BB31-3788 [0,0,0,0,1,0|2,0,1]=4
8  B8R0.18  CC(C)[C@H](CN)C(=O)O BB31-1792 [0,0,0,0,1,0|2,0,1]=4
9  B7R0.15  CN[C@@H](CO)C(=O)O BB31-9937 [2,0,0,0,0,0|0,1,0]=3
10  B7R0.6  CC(=O)NCC(C)O BB31-7690 [2,0,0,0,0,0|1,0,1]=4
11  B7R0.6  CC(=O)\C=C\C(=O)O BB31-4699 [2,0,0,0,0,0|1,0,1]=4
12  B9R0.42  COC(=O)C[C@@H](C)C(=O)O BB31-5539 [1,1,0,0,0,0|1,0,0]=3
13  B9R0.42  COC(=O)C[C@H](C)C(=O)O BB31-9056 [1,1,0,0,0,0|1,0,0]=3
14  B9R0.79  C[C@H](C(=O)O)[C@@H](C)C(=O)O BB32-3117 [1,1,0,0,0,0|2,0,0]=4
15  B9R1.22  CCC1NC(=O)NC1=O BB31-6009 [1,0,0,1,0,0|2,0,0]=4
16  B9R1.2  O=C1CCC[C@@H](CO)N1 BB31-1849 [1,0,0,1,0,0|1,0,1]=4
17  B9R1.2  O=C1COCC(CO)N1 BB31-9072 [1,0,0,1,0,0|0,1,1]=4
18  B9R1.69  C[C@@H]1NC(=O)CNC1=O BB32-2306 [1,0,0,1,0,0|1,0,0]=3
19  B9R1.152  CC1(C(=O)O)CC(=O)C1 BB31-4490 [1,0,0,1,0,0|1,0,0]=3
20  B9R1.161  O=C(O)[C@H]1C[C@@H]1C(=O)O BB31-2567 [1,0,0,1,0,0|2,0,0]=4
21  B9R1.161  O=C(O)[C@H]1C[C@H]1C(=O)O BB32-3765 [1,0,0,1,0,0|2,0,0]=4
22  B11R1.178  CC(=O)N1CCC[C@H]1C(=O)O BB52-9159 [0,1,0,1,0,0|1,0,0]=3
23  B11R1.21  CN1CCC(C(=O)O)CC1=O BB52-8514 [0,1,0,1,0,0|2,0,0]=4
24  B11R1.870  COC(=O)[C@H]1CC[C@H]1C(=O)O BB32-2122 [0,1,0,1,0,0|2,0,0]=4
25  B11R1.23  COC(=O)C1CCCC(=O)N1 BB31-9180 [0,1,0,1,0,0|1,0,0]=3
26  B7R0.16  CC(C)C(C)C(=O)O BB31-8342 [1,0,0,0,1,0|1,0,1]=4