0  B6R0.5  O=S(=O)(O)CCO CS-W019640 [0,0,0,0,0,0|4,0,0]=4
1  B6R0.5  OCCC(F)(F)F CS-W011251 [0,0,0,0,0,0|4,0,0]=4
2  B5R0.1  CC(=O)CCO CS-0044370 [1,0,0,0,0,0|2,0,0]=3
3  B5R0.1  CC(N)CCO CS-W004841 [1,0,0,0,0,0|2,0,0]=3
4  B5R0.4  CC(C)(N)CO CS-W013743 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.4  CC(C)(O)CN CS-W008799 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.14  [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,1,0,0,0,0|1,0,0]=2
7  B7R1.14  CC1(C)CCCN1 CS-W021476 [0,0,0,1,0,0|3,0,0]=4
8  B4R0.1  CC(N)CO CS-W018531 [2,0,0,0,0,0|2,0,0]=4
9  B4R0.1  CC[C@H](C)N CS-0084847 [2,0,0,0,0,0|2,0,0]=4
10  B4R0.2  NCCCO CS-W020089 [2,0,0,0,0,0|2,0,0]=4
11  B4R0.3  C[N+](C)(C)C CS-W013670 [2,0,0,0,0,0|0,0,0]=2
12  B4R0.3  C[S+](C)(C)=O CS-W018549 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.1  COC(C)CCO CS-W013686 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.4  CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4
15  B6R0.4  CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|1,0,1]=4
16  B6R0.4  CNCCC(C)C CS-0039334 [1,1,0,0,0,0|2,0,0]=4
17  B8R0.24  C[N+](C)(C)CC(O)CCl CS-0010102 [0,2,0,0,0,0|0,0,0]=2
18  B8R0.27  CC(C)(C)[C@H](N)C(=O)O CS-D0917 [0,2,0,0,0,0|1,0,1]=4
19  B6R1.2  CC1CCNC1 CS-W021968 [1,0,0,1,0,0|2,0,0]=4
20  B6R1.2  NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4
21  B6R1.3  NCCC1CC1 CS-W006511 [1,0,0,1,0,0|2,0,0]=4
22  B6R1.3  OCCC1CC1 CS-W016679 [1,0,0,1,0,0|1,0,0]=3
23  B6R1.5  N[C@H]1C[C@H](O)C1 CS-W023030 [1,0,0,1,0,0|2,0,0]=4
24  B8R1.72  CC1(C)COCCN1 CS-0094495 [0,1,0,1,0,0|1,0,0]=3