0  B5R0.5  CC(=O)C(=O)O Amb932807 [0,0,0,0,0,0|1,1,1]=3
1  B5R0.5  CC(=O)N(C)C Amb2793066 [0,0,0,0,0,0|2,0,0]=2
2  B5R0.5  CC(N)C(=O)O Amb3940457 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.5  CC(N)C(=O)O Amb6298336 [0,0,0,0,0,0|2,0,0]=2
4  B5R0.5  CC(O)C(=O)O Amb6600026 [0,0,0,0,0,0|1,1,0]=2
5  B5R0.5  CC(O)C(C)O Amb8514566 [0,0,0,0,0,0|0,1,2]=3
6  B4R0.1  CC(S)CS Amb4034635 [1,0,0,0,0,0|0,1,1]=3
7  B4R0.1  CCC(C)C Amb8513244 [1,0,0,0,0,0|1,0,1]=3
8  B4R0.1  O=CC(=O)O Amb3940872 [1,0,0,0,0,0|1,1,1]=4
9  B6R0.3  CC(C)C(N)CO Amb3939342 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.3  CC(CN)C(=O)O Amb6600138 [0,1,0,0,0,0|2,0,0]=3
11  B6R0.3  CCC(N)C(=O)O Amb2694208 [0,1,0,0,0,0|2,0,0]=3
12  B6R0.3  CNC(C)C(=O)O Amb9271766 [0,1,0,0,0,0|2,0,0]=3
13  B6R0.3  COC(=O)C(C)N Amb9825569 [0,1,0,0,0,0|1,0,0]=2
14  B6R0.3  COC(=O)C(C)O Amb3939672 [0,1,0,0,0,0|0,1,0]=2
15  B6R0.3  C\C=C(/C)C(=O)O Amb6364968 [0,1,0,0,0,0|2,0,1]=4
16  B6R0.3  NC(CO)C(=O)O Amb2690463 [0,1,0,0,0,0|2,0,0]=3
17  B6R0.3  NC(CO)C(=O)O Amb6410375 [0,1,0,0,0,0|2,0,0]=3
18  B6R0.3  NC(CO)C(=O)O Amb8387621 [0,1,0,0,0,0|2,0,0]=3
19  B6R0.3  NC(CS)C(=O)O Amb3940755 [0,1,0,0,0,0|2,0,0]=3
20  B6R0.3  NC(CS)C(=O)O Amb6537913 [0,1,0,0,0,0|2,0,0]=3
21  B6R0.3  NC(CS)C(=O)O Amb8394603 [0,1,0,0,0,0|2,0,0]=3
22  B6R0.3  O=C(O)C(O)CO Amb4166319 [0,1,0,0,0,0|1,1,0]=3
23  B6R0.2  CC(C)CC(=O)O Amb3939848 [0,0,0,0,0,1|2,0,0]=3
24  B5R0.1  C#CCC(=O)O Amb6272489 [1,1,0,0,0,0|1,0,1]=4
25  B5R0.1  C=C(C)CCO Amb8513522 [1,1,0,0,0,0|1,0,0]=3
26  B5R0.1  CC(C)=CCO Amb4605830 [1,1,0,0,0,0|1,0,1]=4
27  B5R0.1  CC(C)CC=O Amb3939851 [1,1,0,0,0,0|1,0,0]=3
28  B5R0.1  CC(C)CCO Amb4605831 [1,1,0,0,0,0|1,0,1]=4
29  B5R0.1  CCCC(=O)O Amb3939012 [1,1,0,0,0,0|1,0,0]=3
30  B5R0.1  C\C=C\C(=O)O Amb8385856 [1,1,0,0,0,0|1,0,1]=4
31  B7R0.16  CC(C)C(N)C(=O)O Amb2720566 [0,1,0,0,0,1|2,0,0]=4
32  B7R0.16  CC(O)C(N)C(=O)O Amb6297293 [0,1,0,0,0,1|1,1,0]=4
33  B7R0.16  CC(O)C(N)C(=O)O Amb6599999 [0,1,0,0,0,1|1,1,0]=4
34  B7R0.16  CC(O)C(N)C(=O)O Amb8514159 [0,1,0,0,0,1|1,1,0]=4
35  B7R0.5  CCCC(N)C(=O)O Amb8514700 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.5  CCCC(N)C(=O)O Amb8514701 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.5  NC(CCO)C(=O)O Amb6600040 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.5  NC(CCO)C(=O)O Amb8514287 [0,2,0,0,0,0|2,0,0]=4
39  B7R0.5  NC(CCS)C(=O)O Amb6600039 [0,2,0,0,0,0|2,0,0]=4
40  B7R0.10  COC(=O)C(C)CO Amb17615445 [0,2,0,0,0,0|0,1,0]=3
41  B7R0.10  COC(=O)C(N)CO Amb8390418 [0,2,0,0,0,0|1,0,0]=3
42  B7R1.4  CC1CCOC1=O Amb16185414 [0,1,0,1,0,0|1,0,0]=3