0  B8R0.23  CC(=O)CC(C(=O)O)N A2Z00050345 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.2  CCC(CC(=O)O)N A2Z00050458 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.6  CN(C)CCC(=O)O A2Z00094718 [1,0,0,0,0,0|3,0,0]=4
3  B9R0.39  C(C(CN)C(=O)O)C(=O)O A2Z00096527 [0,1,0,0,0,0|1,0,0]=2
4  B9R0.42  CC(=O)C(CC(=O)OC)Br A2Z00094754 [0,1,0,0,0,0|3,0,0]=4
5  B9R0.42  CCC(=O)CC(C(=O)O)N A2Z00096363 [0,1,0,0,0,0|1,0,0]=2
6  B9R0.42  COC(=O)CC(C(=O)O)N A2Z00070351 [0,1,0,0,0,0|1,0,0]=2
7  B9R0.79  CC(C(C(=O)O)O)C(=O)O A2Z00049599 [0,1,0,0,0,0|2,0,0]=3
8  B9R1.35  C1C(=NNC1=O)C(=O)O A2Z00050178 [0,0,0,1,0,0|0,0,2]=3
9  B9R1.35  C1C(CNC1=O)C(=O)N A2Z00050382 [0,0,0,1,0,0|2,0,0]=3
10  B9R1.35  C1C(NNC1=O)C(=O)O A2Z00050207 [0,0,0,1,0,0|0,0,0]=1
11  B9R1.35  c1([nH]nc(n1)N)C(=O)O A2Z00096282 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.35  c1c([nH][nH]c1=O)C(=O)O A2Z00050177 [0,0,0,1,0,0|0,0,2]=3
13  B9R1.161  C1[C@@H]([C@H]1C(=O)O)C(=O)O A2Z00096513 [0,0,0,1,0,0|2,0,0]=3
14  B9R0.7  CC(CNC(=O)N)C(=O)O A2Z00049561 [0,0,0,0,0,1|1,0,0]=2
15  B9R0.53  C(C(=O)O)N(CC(=O)O)N A2Z00049600 [0,0,0,0,0,1|2,0,0]=3
16  B6R0.2  C(C(=O)N)[N+](=O)[O-] A2Z00096710 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.4  C(CC(=O)N)CCl A2Z00070345 [2,0,0,0,0,0|1,0,1]=4
18  B6R0.3  C(C(C(=O)N)N)O A2Z00085566 [2,0,0,0,0,0|1,0,1]=4
19  B6R0.3  C(C(C(=O)O)N)O A2Z00096658 [2,0,0,0,0,0|0,0,1]=3
20  B8R0.16  C(C(CN)CO)C(=O)O A2Z00050494 [1,1,0,0,0,0|1,0,1]=4
21  B8R0.8  CC(C(=O)O)OCCN A2Z00070299 [1,1,0,0,0,0|1,0,1]=4
22  B8R0.8  CSCCC(C(=O)O)N A2Z00093547 [1,1,0,0,0,0|0,1,1]=4
23  B8R0.9  C(CC(=O)O)C(=O)CN A2Z00096158 [1,1,0,0,0,0|0,0,0]=2
24  B8R0.9  CCC(=O)NCC(=O)O A2Z00046377 [1,1,0,0,0,0|2,0,0]=4
25  B8R0.29  CS(=O)(=O)CCC(=O)O A2Z00048020 [1,1,0,0,0,0|2,0,0]=4
26  B10R0.119  CC(CC(=O)O)(CN)C(=O)O A2Z00096528 [0,2,0,0,0,0|1,0,0]=3
27  B8R1.1  C1C(CNC1=O)CO A2Z00050383 [1,0,0,1,0,0|1,0,1]=4
28  B8R1.7  C1CNCC1C(=O)O A2Z00096244 [1,0,0,1,0,0|1,0,1]=4
29  B10R1.13  C1CC(=O)NN=C1C(=O)O A2Z00083466 [0,0,0,1,0,1|0,0,2]=4
30  B10R1.470  CC1(CC(=O)NC1)C(=O)O A2Z00096322 [0,0,0,1,0,1|2,0,0]=4
31  B10R1.113  C1C(CNNC1=O)C(=O)O A2Z00096532 [0,1,0,1,0,0|0,0,0]=2
32  B8R0.28  CC(=O)NCCC(=O)O A2Z00046392 [1,0,0,0,0,1|1,0,0]=3
33  B10R0.98  C(CC(C(=O)O)N)CC(=O)O A2Z00096299 [0,0,0,0,0,2|1,0,0]=3