0  B5R0.3  NC(CO)CO Amb3939868 [0,0,0,0,0,0|1,0,0]=1
1  B5R0.3  OCC(O)CO Amb6608790 [0,0,0,0,0,0|0,0,0]=0
2  B4R0.1  CC(S)CS Amb4034635 [1,0,0,0,0,0|0,2,0]=3
3  B4R0.1  CCC(C)C Amb8513244 [1,0,0,0,0,0|2,0,0]=3
4  B4R0.2  CCCCC Amb8513659 [1,0,0,0,0,0|2,0,0]=3
5  B6R0.1  CCCC(O)CC Amb4037277 [0,1,0,0,0,0|2,0,0]=3
6  B6R0.3  CC(C)C(N)CO Amb3939342 [0,1,0,0,0,0|2,0,0]=3
7  B6R0.3  CC(CN)C(=O)O Amb6600138 [0,1,0,0,0,0|2,0,1]=4
8  B6R0.3  CCC(N)C(=O)O Amb2694208 [0,1,0,0,0,0|2,0,1]=4
9  B6R0.3  NC(CO)C(=O)O Amb2690463 [0,1,0,0,0,0|1,0,1]=3
10  B6R0.3  NC(CO)C(=O)O Amb6410375 [0,1,0,0,0,0|1,0,1]=3
11  B6R0.3  NC(CO)C(=O)O Amb8387621 [0,1,0,0,0,0|1,0,1]=3
12  B6R0.3  NC(CS)C(=O)O Amb3940755 [0,1,0,0,0,0|1,1,1]=4
13  B6R0.3  NC(CS)C(=O)O Amb6537913 [0,1,0,0,0,0|1,1,1]=4
14  B6R0.3  NC(CS)C(=O)O Amb8394603 [0,1,0,0,0,0|1,1,1]=4
15  B6R0.3  O=C(O)C(O)CO Amb4166319 [0,1,0,0,0,0|0,0,1]=2
16  B5R0.1  C=C(C)CCO Amb8513522 [1,1,0,0,0,0|1,0,1]=4
17  B5R0.1  CC(C)=CCO Amb4605830 [1,1,0,0,0,0|1,0,1]=4
18  B5R0.1  CC(C)CC=O Amb3939851 [1,1,0,0,0,0|1,0,1]=4
19  B5R0.1  CC(C)CCO Amb4605831 [1,1,0,0,0,0|1,0,0]=3
20  B5R0.5  CC(N)C(=O)O Amb3940457 [1,1,0,0,0,0|1,0,1]=4
21  B5R0.5  CC(N)C(=O)O Amb6298336 [1,1,0,0,0,0|1,0,1]=4
22  B5R0.5  CC(O)C(=O)O Amb6600026 [1,1,0,0,0,0|0,0,1]=3
23  B5R0.5  CC(O)C(C)O Amb8514566 [1,1,0,0,0,0|0,0,0]=2
24  B5R0.2  CC#CCCO Amb2721725 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.2  CCCCCC Amb2447471 [1,1,0,0,0,0|2,0,0]=4
26  B7R0.5  NC(CCO)C(=O)O Amb6600040 [0,2,0,0,0,0|1,0,1]=4
27  B7R0.5  NC(CCO)C(=O)O Amb8514287 [0,2,0,0,0,0|1,0,1]=4
28  B7R0.10  COC(=O)C(C)CO Amb17615445 [0,2,0,0,0,0|1,0,1]=4
29  B7R0.10  COC(=O)C(N)CO Amb8390418 [0,2,0,0,0,0|1,0,1]=4
30  B7R0.10  O=CC(O)C(O)CO Amb9825398 [0,2,0,0,0,0|0,0,0]=2
31  B7R0.10  OCC(O)C(O)CO Amb8513161 [0,2,0,0,0,0|0,0,0]=2
32  B7R0.16  CC(O)C(N)C(=O)O Amb6297293 [0,2,0,0,0,0|1,0,1]=4
33  B7R0.16  CC(O)C(N)C(=O)O Amb6599999 [0,2,0,0,0,0|1,0,1]=4
34  B7R0.16  CC(O)C(N)C(=O)O Amb8514159 [0,2,0,0,0,0|1,0,1]=4
35  B5R1.3  OCC1CO1 Amb8389331 [1,0,0,1,0,0|0,0,0]=2
36  B7R1.1  OCC1CCCN1 Amb2237182 [0,1,0,1,0,0|2,0,0]=4