0  B8R0.23  CC(CC(=O)O)N(C)C 4027634 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.23  CC(CN(C)C)C(=O)O 4028170 [0,0,0,0,0,0|4,0,0]=4
2  B8R0.23  CN(CC(=O)O)C(N)=O 4029414 [0,0,0,0,0,0|3,0,0]=3
3  B7R0.2  CNC(C)CC(=O)O 4035495 [1,0,0,0,0,0|3,0,0]=4
4  B7R0.5  CNCC(C)C(=O)O 4043069 [1,0,0,0,0,0|3,0,0]=4
5  B9R0.11  CC(=O)NC(C)(C)C(=O)O 4043820 [0,1,0,0,0,0|3,0,0]=4
6  B9R0.42  CCC(=O)NC(C)C(=O)O 4026814 [0,1,0,0,0,0|3,0,0]=4
7  B9R1.35  CC1=NOC(C(=O)O)C1 4401685 [0,0,0,1,0,0|2,0,0]=3
8  B9R1.35  O=C(O)C1=CC(O)=NO1 4010290 [0,0,0,1,0,0|1,0,2]=4
9  B9R1.35  O=C1CC(C(=O)O)CN1 4002892 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.35  O=C1NCC(C(=O)O)N1 4029000 [0,0,0,1,0,0|3,0,0]=4
11  B9R1.35  O=C1N[C@H](C(=O)O)CO1 4045606 [0,0,0,1,0,0|2,0,0]=3
12  B9R0.53  CC(=O)NC(C)CC(=O)O 4027009 [0,0,0,0,0,1|2,0,0]=3
13  B6R0.2  NC(=O)CC(=O)O 4027194 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.4  CNCCC(=O)O 4036102 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.16  COC(CC(=O)O)OC 4049868 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.34  C=CC(C)(C)CC(=O)O 4032003 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.8  C=CCSC(C)C(=O)O 4026797 [1,1,0,0,0,0|2,0,0]=4
18  B8R0.9  CCC(=O)NCC(=O)O 4027002 [1,1,0,0,0,0|2,0,0]=4
19  B8R0.9  CCS(=O)CCC(=O)O 4027513 [1,1,0,0,0,0|2,0,0]=4
20  B8R0.29  CS(=O)(=O)CCC(=O)O 4043244 [1,1,0,0,0,0|1,0,1]=4
21  B8R1.23  O=C(O)[C@H]1C[C@H](O)C1 4079353 [1,0,0,1,0,0|1,0,1]=4
22  B8R1.23  O=C1CC(C(=O)O)C1 4036673 [1,0,0,1,0,0|1,0,0]=3
23  B10R1.13  O=C1CCC(C(=O)O)CN1 4015789 [0,0,0,1,0,1|2,0,0]=4
24  B10R1.13  O=C1CNC(C(=O)O)CN1 4110533 [0,0,0,1,0,1|2,0,0]=4
25  B10R1.54  O=C(O)C[C@@H]1CCC(=O)N1 4080838 [0,0,0,1,0,1|2,0,0]=4
26  B10R1.54  O=C(O)C[C@H]1CCC(=O)N1 4079802 [0,0,0,1,0,1|2,0,0]=4
27  B10R1.64  O=C(O)CN1CCOC1=O 4002138 [0,1,0,1,0,0|2,0,0]=4
28  B10R1.194  CC1C(=O)OCC1C(=O)O 9071077 [0,1,0,1,0,0|1,0,0]=3
29  B10R1.31  CCC1=NOC(C(=O)O)C1 4016122 [0,1,0,1,0,0|2,0,0]=4
30  B8R0.28  NC(=O)CCCC(=O)O 4027348 [1,0,0,0,0,1|1,0,0]=3
31  B8R0.28  NC(=O)COCC(=O)O 4026979 [1,0,0,0,0,1|1,0,0]=3
32  B8R0.28  NC(=O)CSCC(=O)O 4029864 [1,0,0,0,0,1|1,0,0]=3