0  B9R0.7  CC(Br)C(=O)NCC(=O)O S342742 [0,0,0,0,0,0|1,0,2]=3
1  B9R0.7  CC(C)C(=O)NCC(=O)O CDS012058 [0,0,0,0,0,0|1,0,2]=3
2  B9R0.7  CN(C)C(=O)CCC(=O)O PH010983 [0,0,0,0,0,0|3,0,1]=4
3  B9R0.7  CN(C)C(=S)SCC(=O)O S391972 [0,0,0,0,0,0|3,1,0]=4
4  B8R0.9  CCC(=O)CCC(=O)O S574090 [1,0,0,0,0,0|1,0,1]=3
5  B8R0.9  COC(=O)NCC(=O)O CDS020780 [1,0,0,0,0,0|1,0,2]=4
6  B8R0.9  NCC(=O)NCC(=O)O S456829 [1,0,0,0,0,0|1,0,2]=4
7  B8R0.9  O=C(O)CNC(=O)CCl S451770 [1,0,0,0,0,0|1,0,2]=4
8  B8R0.28  CC(C)CCCC(=O)O CDS003381 [1,0,0,0,0,0|2,0,1]=4
9  B8R0.28  CC(C)COCC(=O)O CDS014100 [1,0,0,0,0,0|2,0,1]=4
10  B10R0.93  CC(Br)C(=O)NC(C)C(=O)O S342726 [0,1,0,0,0,0|1,0,2]=4
11  B10R1.211  O=C(O)CNC(=O)C1CC1 CDS013336 [0,0,0,1,0,0|1,0,2]=4
12  B8R0.23  CC(=O)CC(=O)C(C)C CBR01575 [0,0,0,0,1,0|2,0,1]=4
13  B8R0.23  CC(C)[C@@H](N)CC(=O)O CDS005723 [0,0,0,0,1,0|2,0,1]=4
14  B8R0.23  CC(C)[C@H](N)CC(=O)O CDS005722 [0,0,0,0,1,0|2,0,1]=4
15  B8R0.23  CN(C)C(=O)CC(=O)O CDS022231 [0,0,0,0,1,0|2,0,1]=4
16  B10R0.96  CC(C)CC(=O)NCC(=O)O CDS000049 [0,0,0,0,0,1|1,0,2]=4
17  B10R0.96  CC(C)NC(=O)CCC(=O)O R698733 [0,0,0,0,0,1|2,0,1]=4
18  B10R0.98  CC(N)C(=O)NCCC(=O)O S784141 [0,0,0,0,0,1|1,0,2]=4
19  B7R0.4  CCOCCC(=O)O S448745 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.6  O=C(O)CCC(=O)O S427594 [2,0,0,0,0,0|1,1,0]=4
21  B9R0.48  CCOC(=S)SCC(=O)O S390321 [1,1,0,0,0,0|1,1,0]=4
22  B9R0.48  CCSC(=S)NCC(=O)O S500496 [1,1,0,0,0,0|0,1,1]=4
23  B9R0.48  NCCC(=O)NCC(=O)O S451169 [1,1,0,0,0,0|0,0,2]=4
24  B11R1.175  CC(C)C1=NOC(C1)C(=O)O CBR01385 [0,0,0,1,0,1|2,0,0]=4
25  B7R0.2  CCC(N)CC(=O)O CDS006113 [1,0,0,0,1,0|1,0,1]=4
26  B7R0.2  CC[C@H](C)CC(=O)O CDS005352 [1,0,0,0,1,0|1,0,1]=4
27  B7R0.2  COC(=O)CC(=O)O CDS001491 [1,0,0,0,1,0|1,0,1]=4