0  B4R0.1  CC(S)CS Amb4034635 [0,0,0,0,0,0|2,1,1]=4
1  B4R0.1  CCC(C)C Amb8513244 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  O=CC(=O)O Amb3940872 [0,0,0,0,0,0|3,0,0]=3
3  B5R0.1  C#CCC(=O)O Amb6272489 [0,1,0,0,0,0|2,0,1]=4
4  B5R0.1  C=C(C)CCO Amb8513522 [0,1,0,0,0,0|2,0,0]=3
5  B5R0.1  CC(C)=CCO Amb4605830 [0,1,0,0,0,0|2,0,0]=3
6  B5R0.1  CC(C)CCO Amb4605831 [0,1,0,0,0,0|2,0,1]=4
7  B5R0.1  CCCC(=O)O Amb3939012 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.1  C\C=C\C(=O)O Amb8385856 [0,1,0,0,0,0|2,0,0]=3
9  B5R0.5  CC(=O)C(=O)O Amb932807 [0,1,0,0,0,0|2,0,0]=3
10  B5R0.5  CC(=O)N(C)C Amb2793066 [0,1,0,0,0,0|1,0,0]=2
11  B5R0.5  CC(N)C(=O)O Amb3940457 [0,1,0,0,0,0|2,0,0]=3
12  B5R0.5  CC(N)C(=O)O Amb6298336 [0,1,0,0,0,0|2,0,0]=3
13  B5R0.5  CC(O)C(=O)O Amb6600026 [0,1,0,0,0,0|2,0,0]=3
14  B5R0.5  CC(O)C(C)O Amb8514566 [0,1,0,0,0,0|1,0,2]=4
15  B2R0.1  CCO Amb3938985 [2,0,0,0,0,0|0,0,2]=4
16  B4R0.2  CCCCC Amb8513659 [1,1,0,0,0,0|1,0,1]=4
17  B4R0.2  CSSSC Amb8393151 [1,1,0,0,0,0|1,0,0]=3
18  B6R0.1  CCCC(=O)CC Amb8513390 [0,2,0,0,0,0|1,0,0]=3
19  B6R0.1  CCCC(=O)OC Amb8516697 [0,2,0,0,0,0|0,1,0]=3
20  B6R0.2  CC(C)CC(=O)O Amb3939848 [0,2,0,0,0,0|2,0,0]=4
21  B6R0.3  CC(CN)C(=O)O Amb6600138 [0,2,0,0,0,0|2,0,0]=4
22  B6R0.3  CCC(N)C(=O)O Amb2694208 [0,2,0,0,0,0|2,0,0]=4
23  B6R0.3  CNC(C)C(=O)O Amb9271766 [0,2,0,0,0,0|1,0,1]=4
24  B6R0.3  COC(=O)C(C)N Amb9825569 [0,2,0,0,0,0|0,1,0]=3
25  B6R0.3  COC(=O)C(C)O Amb3939672 [0,2,0,0,0,0|0,1,0]=3
26  B6R0.3  C\C=C(/C)C(=O)O Amb6364968 [0,2,0,0,0,0|1,0,0]=3
27  B6R0.3  NC(CO)C(=O)O Amb2690463 [0,2,0,0,0,0|2,0,0]=4
28  B6R0.3  NC(CO)C(=O)O Amb6410375 [0,2,0,0,0,0|2,0,0]=4
29  B6R0.3  NC(CO)C(=O)O Amb8387621 [0,2,0,0,0,0|2,0,0]=4
30  B6R0.3  NC(CS)C(=O)O Amb3940755 [0,2,0,0,0,0|2,0,0]=4
31  B6R0.3  NC(CS)C(=O)O Amb6537913 [0,2,0,0,0,0|2,0,0]=4
32  B6R0.3  NC(CS)C(=O)O Amb8394603 [0,2,0,0,0,0|2,0,0]=4
33  B6R0.3  O=C(O)C(O)CO Amb4166319 [0,2,0,0,0,0|2,0,0]=4
34  B6R0.4  CCCCC(=O)O Amb3939877 [0,2,0,0,0,0|2,0,0]=4