0  B7R0.6  CC(NNC(C)C)=O      AK118752 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.4  CC(C)NCCCl      AK110294 [1,0,0,0,0,0|3,0,0]=4
2  B6R0.4  CC(C)OCCBr      AK110255 [1,0,0,0,0,0|2,1,0]=4
3  B8R0.23  CC(C)OC([C@H](C)N)=O      AK-40023 [0,1,0,0,0,0|2,1,0]=4
4  B8R0.23  C[C@H](N)C(OC(C)C)=O      AK136097 [0,1,0,0,0,0|2,1,0]=4
5  B8R1.3  C[C@@H]1CO[C@@H](C)CN1      AK554540 [0,0,0,1,0,0|2,1,0]=4
6  B8R1.3  C[C@@H]1CO[C@H](C)CN1      AK144819 [0,0,0,1,0,0|2,1,0]=4
7  B8R1.3  C[C@H]1CO[C@@H](C)CN1      AK144820 [0,0,0,1,0,0|2,1,0]=4
8  B8R1.3  N[C@H]1CC[C@@H](C)CC1      AK139194 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.3  N[C@H]1CC[C@H](C)CC1      AK114539 [0,0,0,1,0,0|3,0,0]=4
10  B6R0.2  CC(C)NC(C)C      AK101661 [0,0,0,0,1,0|1,0,0]=2
11  B6R0.2  CC(NC(C)C)=O      AK-86542 [0,0,0,0,1,0|2,0,1]=4
12  B6R0.2  NC(C)CC(C)C      AK205814 [0,0,0,0,1,0|2,0,0]=3
13  B5R0.1  C[C@@H](N)CCC      AK608015 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  C[C@H](N)CCC      AK171191 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.16  CC(C)C(N)C(C)C      AK167760 [0,1,0,0,1,0|1,0,0]=3
16  B9R0.53  CC(C)CC(O)CC(C)C      AK114199 [0,1,0,0,0,1|2,0,0]=4
17  B9R0.53  OP(OC(C)C)OC(C)C      AK114245 [0,1,0,0,0,1|0,2,0]=4
18  B9R0.77  CC(C)(O)CCC(C)(C)O      AK-32837 [0,2,0,0,0,0|2,0,0]=4
19  B9R0.77  CC(O)(C)C#CC(O)(C)C      AK-59396 [0,2,0,0,0,0|2,0,0]=4
20  B7R1.3  C[C@@H]1CNCCC1      AK141528 [1,0,0,1,0,0|2,0,0]=4
21  B7R1.3  C[C@H]1CNCCC1      AK-93998 [1,0,0,1,0,0|2,0,0]=4
22  B7R1.14  CC1(C)NCCC1      AK-76555 [1,0,0,1,0,0|2,0,0]=4
23  B7R1.14  CC1(C)SCCN1      AK-33914 [1,0,0,1,0,0|2,0,0]=4