0  B7R0.9  CC(C)CC(C)(C)O S679178 [0,0,0,0,0,0|4,0,0]=4
1  B7R0.9  CC(C)CS(=O)(=O)[S-] S64026 [0,0,0,0,0,0|2,1,1]=4
2  B7R0.9  CC(C)NS(=O)(=O)C PH007925 [0,0,0,0,0,0|3,0,1]=4
3  B7R0.9  CC(C)NS(=O)(=O)Cl CDS007305 [0,0,0,0,0,0|3,0,1]=4
4  B7R0.9  CC(C)NS(=O)(=O)O PH009579 [0,0,0,0,0,0|2,0,1]=3
5  B6R0.2  CC(=CB(O)O)C CDS007838 [1,0,0,0,0,0|2,0,1]=4
6  B6R0.2  CC(=O)NC(C)C S378992 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.2  CC(C)CC(=O)[O-] S693154 [1,0,0,0,0,0|2,0,1]=4
8  B6R0.2  CC(C)OC(=S)N PH008713 [1,0,0,0,0,0|2,1,0]=4
9  B6R0.2  CC(Cl)CC(=O)O S419621 [1,0,0,0,0,0|3,0,0]=4
10  B8R0.33  O=P(O)(O)OP(=O)(O)O S596167 [0,1,0,0,0,0|3,0,0]=4
11  B8R1.51  CC1COC(O1)(C)C T332623 [0,0,0,1,0,0|3,0,0]=4
12  B6R0.7  CC(N)P(=O)(O)O R425923 [0,0,0,0,1,0|1,0,0]=2
13  B8R0.29  CC(C)CCS(=O)(=O)O PH016300 [0,0,0,0,0,1|2,0,1]=4
14  B5R0.1  C(=O)NC(C)C S378380 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.1  CC(C)C=NO S388378 [2,0,0,0,0,0|1,1,0]=4
16  B5R0.4  CNP(=S)(O)O PH013342 [2,0,0,0,0,0|1,1,0]=4
17  B7R0.2  CC(C)OC(=O)CS S593931 [1,1,0,0,0,0|1,1,0]=4
18  B7R0.2  CC(C)OC(=O)NF PH009513 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.2  CCC(=O)OC(C)C CDS000574 [1,1,0,0,0,0|2,0,0]=4
20  B7R0.2  CC[C@H](C)CC(=O)O CDS005352 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.2  COC(=O)NC(C)C PH006940 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.14  CCC(N)P(=O)(O)O R426547 [1,1,0,0,0,0|1,0,0]=3
23  B9R0.77  CC(C)(N)COS(=O)(=O)O S547816 [0,1,0,0,0,1|1,0,1]=4
24  B9R0.52  NCC(CN)OS(=O)(=O)O R464236 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.2  CC1COC(=O)C1 PH007953 [1,0,0,1,0,0|2,0,0]=4
26  B7R1.2  CC1COC(=O)N1 CBR01603 [1,0,0,1,0,0|2,0,0]=4
27  B7R1.2  CC1COS(=O)O1 S409928 [1,0,0,1,0,0|1,0,0]=3
28  B7R1.2  C[C@H]1COC(=O)N1 ANV00127 [1,0,0,1,0,0|2,0,0]=4
29  B7R1.20  O=C(O)CC1CC1 CDS000888 [1,0,0,1,0,0|2,0,0]=4
30  B7R0.6  CC(C)/C=C/C(=O)O CDS003369 [1,0,0,0,0,1|2,0,0]=4
31  B7R0.6  CC(C)COC(=O)N S362840 [1,0,0,0,0,1|2,0,0]=4
32  B7R0.6  CC(C)SCC(=O)O OTV000315 [1,0,0,0,0,1|1,1,0]=4