0  B5R0.5  CC(=O)N(C)C Amb2793066 [0,0,0,0,0,0|1,1,1]=3
1  B5R0.5  CC(N)C(=O)O Amb3940457 [0,0,0,0,0,0|2,1,1]=4
2  B5R0.5  CC(N)C(=O)O Amb6298336 [0,0,0,0,0,0|2,1,1]=4
3  B5R0.5  CC(O)C(=O)O Amb6600026 [0,0,0,0,0,0|2,1,1]=4
4  B5R0.5  CC(O)C(C)O Amb8514566 [0,0,0,0,0,0|1,1,0]=2
5  B4R0.1  CC(S)CS Amb4034635 [1,0,0,0,0,0|1,0,0]=2
6  B4R0.1  CCC(C)C Amb8513244 [1,0,0,0,0,0|0,0,0]=1
7  B6R0.3  CC(C)C(N)CO Amb3939342 [0,1,0,0,0,0|1,0,0]=2
8  B6R0.3  CC(CN)C(=O)O Amb6600138 [0,1,0,0,0,0|1,1,1]=4
9  B6R0.3  CNC(C)C(=O)O Amb9271766 [0,1,0,0,0,0|1,1,1]=4
10  B6R0.3  COC(=O)C(C)N Amb9825569 [0,1,0,0,0,0|1,1,1]=4
11  B6R0.3  COC(=O)C(C)O Amb3939672 [0,1,0,0,0,0|1,1,1]=4
12  B6R0.2  CC(C)CC(=O)O Amb3939848 [0,0,0,0,0,1|1,1,1]=4
13  B5R0.1  C=C(C)CCO Amb8513522 [1,1,0,0,0,0|0,0,2]=4
14  B5R0.1  CC(C)=CCO Amb4605830 [1,1,0,0,0,0|0,0,2]=4
15  B5R0.1  CC(C)CC=O Amb3939851 [1,1,0,0,0,0|0,0,1]=3
16  B5R0.1  CC(C)CCO Amb4605831 [1,1,0,0,0,0|0,0,0]=2
17  B5R0.1  CC(C)N=C=S Amb6565430 [1,1,0,0,0,0|0,0,2]=4
18  B5R0.3  NC(CO)CO Amb3939868 [1,1,0,0,0,0|1,1,0]=4
19  B5R0.3  OCC(O)CO Amb6608790 [1,1,0,0,0,0|1,1,0]=4
20  B7R0.10  COC(=O)C(C)CO Amb17615445 [0,2,0,0,0,0|0,1,1]=4
21  B7R0.10  OCC(O)C(O)CO Amb8513161 [0,2,0,0,0,0|1,1,0]=4
22  B5R1.3  OCC1CO1 Amb8389331 [1,0,0,1,0,0|1,1,0]=4
23  B7R1.4  CC1CCOC1=O Amb16185414 [0,1,0,1,0,0|0,1,1]=4