0  B8R0.28  CC(C)CNCC(=O)O CS-0047296 [0,0,0,0,0,0|3,0,0]=3
1  B7R0.4  CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|3,0,0]=4
2  B9R1.35  CC(C)C1=NNC(=O)C1 CS-0047055 [0,0,0,1,0,0|2,0,1]=4
3  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,0,0,1,0,0|3,0,0]=4
4  B9R1.66  CC1(C)CC(N)CCO1 CS-D0455 [0,0,0,1,0,0|2,0,1]=4
5  B9R1.66  CC1(C)CCCC(=O)C1 CS-0010863 [0,0,0,1,0,0|1,0,0]=2
6  B7R0.6  C(C(C)=O)=CN(C)C CS-W016611 [0,0,0,0,1,0|1,0,2]=4
7  B7R0.6  C[C@H](O)CC[C@H](C)O CS-W013595 [0,0,0,0,1,0|1,0,2]=4
8  B9R0.55  CC(=O)CCCOC(C)=O CS-0089169 [0,0,0,0,0,1|1,0,1]=3
9  B6R0.4  CCCCC(=N)N CS-0046978 [2,0,0,0,0,0|2,0,0]=4
10  B8R0.6  COC(=O)CCCCBr CS-W022866 [1,1,0,0,0,0|2,0,0]=4
11  B8R0.7  CC(=O)NCCCON CS-B1212 [1,1,0,0,0,0|2,0,0]=4
12  B8R0.23  CC(C)[C@H](N)CC(=O)O CS-0039103 [0,1,0,0,1,0|1,0,0]=3
13  B8R0.23  [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,1,0,0,1,0|1,0,0]=3
14  B8R0.29  CC(C)(C)NCC(=O)O CS-W021463 [0,1,0,0,1,0|2,0,0]=4
15  B8R1.1  C=C[C@@H]1COC(=O)C1 CS-B0325 [1,0,0,1,0,0|0,0,2]=4
16  B8R1.19  CC1(C)CCNC1=O CS-0046646 [1,0,0,1,0,0|1,0,0]=3
17  B8R1.22  O=C1CCCOCC1 CS-0037287 [1,0,0,1,0,0|2,0,0]=4
18  B8R1.22  O=C1CCOCCN1 CS-W021289 [1,0,0,1,0,0|2,0,0]=4
19  B8R1.72  CC1(O)CCOCC1 CS-W006621 [1,0,0,1,0,0|1,0,1]=4
20  B8R1.3  C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,0,0,1,1,0|1,0,1]=4
21  B8R1.23  CC1CC(C(=O)O)C1 CS-W006107 [0,0,0,1,1,0|1,0,0]=3
22  B8R1.23  N[C@H]1C[C@@H](C(=O)O)C1 CS-0043980 [0,0,0,1,1,0|2,0,0]=4
23  B8R1.51  CC1(C)CNC(=O)C1 CS-M3328 [0,0,0,1,1,0|1,0,0]=3
24  B6R0.2  C[C@H](N)CC(=O)O CS-0031371 [0,0,0,0,2,0|2,0,0]=4