0  B6R0.4  CC(C)NCCCl CS-W006300 [1,0,0,0,0,0|2,0,1]=4
1  B6R0.6  C=COCCON CS-M0262 [1,0,0,0,0,0|3,0,0]=4
2  B8R0.28  CC(C)CNCC(=O)O CS-0047296 [0,1,0,0,0,0|2,0,0]=3
3  B8R1.4  CC1CNCC(=O)N1 CS-0038083 [0,0,0,1,0,0|3,0,0]=4
4  B8R1.4  C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,1,0,0|3,0,0]=4
5  B8R1.19  CC1(C)CCNC1=O CS-0046646 [0,0,0,1,0,0|1,0,0]=2
6  B8R1.72  CC1(O)CCOCC1 CS-W006621 [0,0,0,1,0,0|2,0,1]=4
7  B5R0.1  C=CC[C@H](C)O CS-0081915 [2,0,0,0,0,0|1,0,1]=4
8  B5R0.1  CC(F)CCN CS-0104778 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.1  CCC[C@H](C)N CS-W006528 [2,0,0,0,0,0|1,0,1]=4
10  B5R0.1  CN(C)CCBr CS-W004693 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.1  COC[C@@H](C)N CS-W019198 [2,0,0,0,0,0|1,0,1]=4
12  B5R0.1  C[C@H](N)CCO CS-W019851 [2,0,0,0,0,0|1,0,0]=3
13  B5R0.1  C[C@H](O)CCO CS-W016671 [2,0,0,0,0,0|1,0,0]=3
14  B9R0.55  CC(=O)CCCOC(C)=O CS-0089169 [0,2,0,0,0,0|1,0,1]=4
15  B7R1.2  CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,2]=4
16  B7R1.2  C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|1,0,0]=3
17  B7R1.2  NC1CNC(=O)C1 CS-W023257 [1,0,0,1,0,0|2,0,0]=4
18  B7R1.3  C[C@@H]1CCCNC1 CS-W021135 [1,0,0,1,0,0|1,0,1]=4
19  B7R1.10  CC1CC(CN)C1 CS-0036376 [1,0,0,1,0,0|1,0,1]=4
20  B7R1.10  CNC1CC(C)C1 CS-0036338 [1,0,0,1,0,0|1,0,1]=4
21  B7R1.10  CO[C@H]1C[C@H](N)C1 CS-0045545 [1,0,0,1,0,0|1,0,1]=4
22  B7R1.4  CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.4  N[C@@H]1CCNC1=O CS-0094049 [1,0,0,1,0,0|2,0,0]=4
24  B7R1.4  O=C1NCC[C@H]1O CS-W018663 [1,0,0,1,0,0|2,0,0]=4
25  B9R1.66  CC1(C)CCCC(=O)C1 CS-0010863 [0,1,0,1,0,0|1,0,0]=3
26  B9R1.136  O=CNC1CC(F)(F)C1 CS-M3454 [0,1,0,1,0,0|2,0,0]=4
27  B9R1.2  N#CC1CCNC(=O)C1 CS-0047320 [0,1,0,1,0,0|1,0,1]=4
28  B9R1.2  NCC1CCNC(=O)C1 CS-0037079 [0,1,0,1,0,0|1,0,0]=3
29  B9R1.16  C=CCCC[C@@H]1C[C@H]1O CS-M2332 [0,1,0,1,0,0|2,0,0]=4
30  B9R1.40  CC1(C)CCCCC1=O CS-W008668 [0,1,0,1,0,0|1,0,0]=3
31  B9R1.35  N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [0,1,0,1,0,0|2,0,0]=4