0  B8R0.2  CCC(C)C(N)C(=O)O Amb8516280 [0,0,0,0,0,0|1,0,1]=2
1  B7R0.5  CCCC(N)C(=O)O Amb8514700 [1,0,0,0,0,0|1,0,1]=3
2  B7R0.5  CCCC(N)C(=O)O Amb8514701 [1,0,0,0,0,0|1,0,1]=3
3  B7R0.5  CC\C=C(/C)C(=O)O Amb2689584 [1,0,0,0,0,0|1,0,1]=3
4  B7R0.5  NC(CCO)C(=O)O Amb6600040 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.5  NC(CCO)C(=O)O Amb8514287 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.5  NC(CCS)C(=O)O Amb6600039 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.10  COC(=O)C(C)CO Amb17615445 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.16  CC(C)C(N)C(=O)O Amb2720566 [1,0,0,0,0,0|1,0,1]=3
9  B7R0.16  CC(O)C(N)C(=O)O Amb6297293 [1,0,0,0,0,0|2,0,1]=4
10  B7R0.16  CC(O)C(N)C(=O)O Amb6599999 [1,0,0,0,0,0|2,0,1]=4
11  B7R0.16  CC(O)C(N)C(=O)O Amb8514159 [1,0,0,0,0,0|2,0,1]=4
12  B6R0.1  CCCC(=O)CC Amb8513390 [2,0,0,0,0,0|1,0,1]=4
13  B6R0.1  CCCC(=O)OC Amb8516697 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.2  CC(C)CC(=O)O Amb3939848 [2,0,0,0,0,0|0,0,1]=3
15  B6R0.4  CCCCC(=O)O Amb3939877 [2,0,0,0,0,0|0,0,1]=3
16  B6R0.3  CC(CN)C(=O)O Amb6600138 [2,0,0,0,0,0|1,0,0]=3
17  B6R0.3  CCC(N)C(=O)O Amb2694208 [2,0,0,0,0,0|1,0,0]=3
18  B6R0.3  CNC(C)C(=O)O Amb9271766 [2,0,0,0,0,0|1,0,0]=3
19  B6R0.3  C\C=C(/C)C(=O)O Amb6364968 [2,0,0,0,0,0|0,0,2]=4
20  B6R0.3  NC(CO)C(=O)O Amb2690463 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.3  NC(CO)C(=O)O Amb6410375 [2,0,0,0,0,0|2,0,0]=4
22  B6R0.3  NC(CO)C(=O)O Amb8387621 [2,0,0,0,0,0|2,0,0]=4
23  B6R0.3  NC(CS)C(=O)O Amb3940755 [2,0,0,0,0,0|2,0,0]=4
24  B6R0.3  NC(CS)C(=O)O Amb6537913 [2,0,0,0,0,0|2,0,0]=4
25  B6R0.3  NC(CS)C(=O)O Amb8394603 [2,0,0,0,0,0|2,0,0]=4
26  B6R0.3  O=C(O)C(O)CO Amb4166319 [2,0,0,0,0,0|2,0,0]=4
27  B8R0.3  CCOC(=O)C(=O)CC Amb15701231 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.8  CSCCC(N)C(=O)O Amb2720567 [1,1,0,0,0,0|1,0,1]=4
29  B8R0.8  CSCCC(N)C(=O)O Amb5720611 [1,1,0,0,0,0|1,0,1]=4
30  B8R0.8  NCCCC(N)C(=O)O Amb6600152 [1,1,0,0,0,0|1,0,1]=4
31  B8R0.8  NCCCC(N)C(=O)O Amb8513279 [1,1,0,0,0,0|1,0,1]=4
32  B8R0.27  CC(C)(C)C(N)C(=O)O Amb2720519 [1,1,0,0,0,0|1,0,1]=4
33  B8R0.27  CC(C)(C)C(N)C(=O)O Amb8513330 [1,1,0,0,0,0|1,0,1]=4
34  B8R1.7  O=C(O)C1CCCN1 Amb2542766 [1,0,0,1,0,0|1,0,1]=4
35  B8R1.7  O=C(O)C1CCCN1 Amb2720569 [1,0,0,1,0,0|1,0,1]=4
36  B10R1.113  CN1CCC=C(C(=O)O)C1 Amb9809973 [0,0,0,1,0,1|2,0,0]=4