0  B7R0.1  BrCCCCCCBr ACS010553 [1,0,0,0,0,0|2,0,1]=4
1  B7R0.1  C(CCCCC#C)O ACS011549 [1,0,0,0,0,0|0,0,3]=4
2  B9R0.46  C(C(CCCCCC)O)O ACS024597 [0,1,0,0,0,0|0,0,2]=3
3  B9R1.8  OCCN1CCNCC1 ACS011155 [0,0,0,1,0,0|2,0,1]=4
4  B9R1.8  OCCN1CCOCC1 ACS015362 [0,0,0,1,0,0|2,0,1]=4
5  B6R0.6  BrCCCCCBr ACS015667 [2,0,0,0,0,0|2,0,0]=4
6  B6R0.6  C(=C)OCCCN ACS015636 [2,0,0,0,0,0|2,0,0]=4
7  B6R0.6  C(COCCO)O ACS015677 [2,0,0,0,0,0|2,0,0]=4
8  B8R0.1  BrC(CCC)CCCC ACS024467 [1,1,0,0,0,0|0,0,2]=4
9  B8R0.6  C(C(CCCCO)O)O ACS015703 [1,1,0,0,0,0|1,0,1]=4
10  B8R1.2  BrCC1CCCCC1 ACS010448 [1,0,0,1,0,0|1,0,1]=4
11  B8R1.2  C1(CCCCC1)C=O ACS010444 [1,0,0,1,0,0|0,0,2]=4
12  B8R1.2  C1(CCCCC1)CN ACS011969 [1,0,0,1,0,0|1,0,1]=4
13  B8R1.2  C1(CCCCC1)CO ACS010446 [1,0,0,1,0,0|0,0,1]=3
14  B8R1.2  N1CCC(CC1)CO ACS015387 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.2  O1C(CCC=C1)CO ACS011258 [1,0,0,1,0,0|1,0,0]=3
16  B8R1.5  CN1C(=NCCC1)C ACS011606 [1,0,0,1,0,0|2,0,0]=4
17  B8R1.5  N[C@@H]1[C@@H](CCCC1)O ACS011637 [1,0,0,1,0,0|1,0,1]=4
18  B8R1.5  N[C@@H]1[C@H](CCCC1)O ACS011845 [1,0,0,1,0,0|1,0,1]=4
19  B10R1.21  C(CCCC)N1C=NC=C1 ACS020807 [0,1,0,1,0,0|2,0,0]=4
20  B10R2.99  BrCC1C2C=CC(C1)C2 ACS012238 [0,0,0,2,0,0|2,0,0]=4
21  B10R2.99  C12C(CC(C=C1)C2)CN ACS012016 [0,0,0,2,0,0|2,0,0]=4