0  B9R1.35  C1CC(=O)N[C@@H]1C(=O)O 5731 [0,0,0,0,0,0|2,0,2]=4
1  B9R1.35  C1[C@@H](CN[C@@H]1C(=O)O)O 9022 [0,0,0,0,0,0|0,0,0]=0
2  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O H0099 [0,0,0,0,0,0|0,0,0]=0
3  B8R1.7  C1CC(NC1)C(=O)O 9203 [1,0,0,0,0,0|0,0,0]=1
4  B8R1.7  C1CCC(C1)C(=O)O 8636 [1,0,0,0,0,0|1,0,0]=2
5  B8R1.7  C1COCC1C(=O)O 8251 [1,0,0,0,0,0|2,0,0]=3
6  B8R1.7  C1CSC(N1)C(=O)O 9309 [1,0,0,0,0,0|1,0,0]=2
7  B8R1.7  C1C[C@H]([NH2+]C1)C(=O)[O-] 9557 [1,0,0,0,0,0|0,0,2]=3
8  B8R0.23  C([C@@H](C(=O)O)N)C(=O)O 5088 [0,0,1,0,0,0|1,0,1]=3
9  B8R0.23  CC(C)CC(C(=O)O)N 5503 [0,0,1,0,0,0|1,0,0]=2
10  B8R0.23  CC(C)C[C@@H](C(=O)O)N 10688 [0,0,1,0,0,0|1,0,0]=2
11  B8R1.23  C1C(CC1=O)C(=O)O 6732 [0,0,0,0,1,0|0,0,2]=3
12  B10R1.13  CN1CCC(CC1)C(=O)O M0072 [0,0,0,0,0,1|3,0,0]=4
13  B10R1.13  C[NH+]1CCC(CC1)C(=O)O 5019 [0,0,0,0,0,1|3,0,0]=4
14  B7R0.5  C(CN)C(C(=O)O)N 5486 [1,0,1,0,0,0|1,0,0]=3
15  B7R0.5  C(CN)[C@@H](C(=O)O)O 6458 [1,0,1,0,0,0|2,0,0]=4
16  B7R0.5  C(CO)[C@@H](C(=O)O)N 10392 [1,0,1,0,0,0|0,0,0]=2
17  B7R0.6  C(CC(=O)O)C(=O)O 5823 [1,0,1,0,0,0|1,0,1]=4
18  B7R0.6  CC(=O)CCC(=O)O 6824 [1,0,1,0,0,0|0,0,2]=4
19  B7R1.1  C1CCC(C1)CO 8627 [2,0,0,0,0,0|1,0,1]=4
20  B9R0.47  CCCCCC(C)C(=O)O 8193 [0,1,1,0,0,0|2,0,0]=4
21  B9R1.163  C1CCC(C1)(C(=O)O)N 10137 [1,1,0,0,0,0|1,0,0]=3
22  B9R1.82  COC(=O)C1CC(=O)C1 8653 [0,1,0,0,1,0|0,0,2]=4
23  B11R1.727  C1CC(CCC1C(=O)O)(F)F 10096 [0,1,0,0,0,1|2,0,0]=4
24  B9R1.6  C1CC(CNC1)C(=O)O 5653 [0,0,1,1,0,0|2,0,0]=4
25  B9R1.6  C1CCNC(C1)C(=O)O 5668 [0,0,1,1,0,0|1,0,0]=3
26  B9R1.6  C1CCNC(C1)C(=O)O 9852 [0,0,1,1,0,0|1,0,0]=3
27  B9R1.6  C1CNC(CN1)C(=O)O 8992 [0,0,1,1,0,0|1,0,0]=3
28  B7R0.16  C[C@H]([C@@H](C(=O)O)N)O 6845 [0,0,1,0,1,0|0,0,0]=2
29  B7R1.18  C1C(CN1)C(=O)O 10615 [1,0,0,0,1,0|1,0,0]=3
30  B7R1.18  C1CC(C1)C(=O)O 8209 [1,0,0,0,1,0|0,0,0]=2