0  B9R0.39  O=C(O)[C@@H](NC(C)=O)CS M10016257P [0,0,0,0,0,0|0,0,0]=0
1  B8R0.23  C=C(NC(C)=O)C(O)=O M10074141P [1,0,0,0,0,0|0,0,2]=3
2  B8R0.23  O=C(O)C(S)CC(O)=O M10000758P [1,0,0,0,0,0|2,0,0]=3
3  B8R0.23  O=C(O)[C@@H](N)CS(C)=O M10096739P [1,0,0,0,0,0|3,0,0]=4
4  B8R0.23  O=C([O-])CC(N)C(O)=O M10023113P [1,0,0,0,0,0|3,0,0]=4
5  B10R0.54  O=C(OC)C(NC(C)=O)CCl M10156473P [0,1,0,0,0,0|1,0,0]=2
6  B10R1.113  O=C(C1CC(NCC1)=O)O M10185359P [0,0,0,1,0,0|3,0,0]=4
7  B8R0.18  O=C(C)C(CC)C([O-])=O M10207310P [0,0,0,0,1,0|1,0,1]=3
8  B7R0.5  CCCC(C)C(O)=O M10209692P [2,0,0,0,0,0|1,0,1]=4
9  B7R0.6  CC(CCC([O-])=O)=O M10183682P [2,0,0,0,0,0|1,0,1]=4
10  B7R0.6  O=C(C)CCC([O-])=O M10015062P [2,0,0,0,0,0|1,0,1]=4
11  B9R0.11  CC(C)(OC(C)=O)C(Br)=O M10243419P [1,1,0,0,0,0|2,0,0]=4
12  B9R0.79  O=C(O)[C@@H](S)[C@@H](S)C(O)=O M11185553P [1,1,0,0,0,0|2,0,0]=4
13  B11R0.115  CC[C@H](C)[C@H](NC(C)=O)C(O)=O M10050836P [0,2,0,0,0,0|1,0,0]=3
14  B11R0.115  O=C(OC)[C@@H](NC(C)=O)C(Cl)O M10511485P [0,2,0,0,0,0|0,1,0]=3
15  B11R0.160  CSCC[C@H](C(O)=O)NC(C)=O M10031971P [0,2,0,0,0,0|0,0,0]=2
16  B11R0.108  CC(C)[C@H](NC(OC)=O)C(O)=O M10457108P [0,2,0,0,0,0|1,0,0]=3
17  B9R1.6  O=C(C1NCCNC1)O M10047414P [1,0,0,1,0,0|1,0,1]=4
18  B9R1.6  O=C(C1NCCSC1)O M10168222P [1,0,0,1,0,0|0,0,1]=3
19  B9R1.6  O=C([C@@H]1NCCNC1)O M10723219P [1,0,0,1,0,0|1,0,1]=4
20  B9R1.35  O=C(C1CC(CC1)=O)O M10002671P [1,0,0,1,0,0|2,0,0]=4
21  B9R1.35  O=C([C@@H]1CCC(O1)=O)O M10170449P [1,0,0,1,0,0|2,0,0]=4
22  B9R1.35  O=C([C@H]1CCC(O1)=O)O M10271394P [1,0,0,1,0,0|2,0,0]=4
23  B9R1.35  O=C([C@H]1N=C(N)SC1)O M10145903P [1,0,0,1,0,0|1,0,1]=4
24  B9R1.27  O=C1C(CC)C(CC1)=O M10021371P [0,0,0,1,1,0|2,0,0]=4
25  B11R1.178  O=C(C1N(C(C)=O)CSC1)O M10068128P [0,1,0,1,0,0|0,0,0]=2
26  B11R1.178  O=C([C@H]1N(C(C)=O)CSC1)O M10275997P [0,1,0,1,0,0|0,0,0]=2
27  B7R0.16  CC(C(N)C(O)=O)=O M10092972P [1,0,0,0,1,0|1,0,0]=3
28  B7R0.16  CC(C)[C@H](C)C(O)=O M10134757P [1,0,0,0,1,0|1,0,1]=4
29  B7R0.16  O=C(O)C(C)C(O)=O M10012870P [1,0,0,0,1,0|1,0,0]=3
30  B7R0.16  O=C(O)C(O)C(O)=O M10001299P [1,0,0,0,1,0|1,1,0]=4
31  B11R0.143  CC(O[C@H](CCl)CNC(C)=O)=O M10811238P [0,0,0,0,0,2|2,0,0]=4