0  B5R0.2  CC#CCCO Amb2721725 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.2  CCCCCC Amb2447471 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.2  CCCCC Amb8513659 [1,0,0,0,0,0|1,0,1]=3
3  B6R0.1  CCC(C)N=C=S Amb9744214 [0,1,0,0,0,0|1,1,1]=4
4  B6R0.1  CCCC(=O)CC Amb8513390 [0,1,0,0,0,0|2,0,1]=4
5  B6R0.1  CCCC(=O)OC Amb8516697 [0,1,0,0,0,0|3,0,0]=4
6  B6R0.1  CCCC(O)CC Amb4037277 [0,1,0,0,0,0|2,0,1]=4
7  B6R0.4  CC(C)CN=C=S Amb6565431 [0,1,0,0,0,0|1,1,1]=4
8  B6R0.4  CCCCC(=O)O Amb3939877 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.4  CCCCC(C)O Amb4605977 [0,1,0,0,0,0|1,0,2]=4
10  B6R0.4  O=CNCC(=O)O Amb1911508 [0,1,0,0,0,0|2,0,1]=4
11  B6R0.6  C=CCCCCC Amb3940498 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.6  CCCCCC=O Amb3939522 [0,1,0,0,0,0|1,0,0]=2
13  B6R0.6  CCCCCCC Amb8513177 [0,1,0,0,0,0|2,0,1]=4
14  B6R0.6  CCCCCCO Amb3941500 [0,1,0,0,0,0|1,0,2]=4
15  B6R0.6  C\C=C\CCCO Amb22347882 [0,1,0,0,0,0|2,0,0]=3
16  B5R0.1  C#CCC(=O)O Amb6272489 [1,1,0,0,0,0|0,0,2]=4
17  B5R0.1  C=C(C)CCO Amb8513522 [1,1,0,0,0,0|2,0,0]=4
18  B5R0.1  CC(C)CC=O Amb3939851 [1,1,0,0,0,0|0,0,0]=2
19  B5R0.1  CC(C)CCO Amb4605831 [1,1,0,0,0,0|0,0,2]=4
20  B5R0.1  CCCC(=O)O Amb3939012 [1,1,0,0,0,0|0,0,0]=2
21  B5R0.1  C\C=C\C(=O)O Amb8385856 [1,1,0,0,0,0|0,0,2]=4
22  B7R0.5  CCCC(N)C(=O)O Amb8514700 [0,2,0,0,0,0|1,0,0]=3
23  B7R0.5  CCCC(N)C(=O)O Amb8514701 [0,2,0,0,0,0|1,0,0]=3
24  B7R0.5  CC\C=C(/C)C(=O)O Amb2689584 [0,2,0,0,0,0|1,0,1]=4
25  B7R0.5  NC(CCO)C(=O)O Amb6600040 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.5  NC(CCO)C(=O)O Amb8514287 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.5  NC(CCS)C(=O)O Amb6600039 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.10  O=CC(O)C(O)CO Amb9825398 [0,2,0,0,0,0|2,0,0]=4
29  B7R0.4  CCCCCC(=O)O Amb3939846 [0,2,0,0,0,0|1,0,0]=3
30  B7R0.4  CCC\C=C\C(=O)O Amb2688715 [0,2,0,0,0,0|1,0,0]=3
31  B7R0.4  NCCCCC(=O)O Amb3941646 [0,2,0,0,0,0|1,0,0]=3
32  B7R0.6  CC(=O)CCC(=O)O Amb534169 [0,2,0,0,0,0|1,0,1]=4
33  B7R0.1  CCCCCCC=O Amb3939948 [0,2,0,0,0,0|1,0,0]=3
34  B7R0.1  CCCC\C=C\C=O Amb30526847 [0,2,0,0,0,0|1,0,0]=3
35  B5R1.3  OCC1CO1 Amb8389331 [1,0,0,1,0,0|1,0,1]=4
36  B7R1.3  O=C1COCCN1 Amb15691115 [0,1,0,1,0,0|1,0,0]=3
37  B7R1.4  CC1CCOC1=O Amb16185414 [0,1,0,1,0,0|0,0,0]=2