0  B17R1.812  OCC(O[C@@H]1OC(CO)[C@H]([C@@H](C1O)O)O)CO Amb17614777 [0,1,0,0,0,0|0,0,0]=1
1  B17R1.812  OCC(O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)CO Amb10845568 [0,1,0,0,0,0|0,0,0]=1
2  B14R1.136  CC1OC(OCC#C)C(O)C(O)C1O Amb24744786 [2,0,0,0,0,0|1,0,1]=4
3  B14R1.136  CC1OC(OCC=C)C(O)C(O)C1O Amb25743929 [2,0,0,0,0,0|1,0,1]=4
4  B14R1.136  CC1OC(OCCCl)C(O)C(O)C1O Amb24744787 [2,0,0,0,0,0|1,0,0]=3
5  B14R1.136  CC1OC(OCCF)C(O)C(O)C1O Amb25326736 [2,0,0,0,0,0|1,0,0]=3
6  B14R1.136  C[C@@H]1OC(OCC#C)[C@@H](O)[C@H](O)[C@@H]1O Amb25175874 [2,0,0,0,0,0|1,0,1]=4
7  B14R1.136  C[C@@H]1O[C@@H](OCC=C)[C@@H](O)[C@H](O)[C@@H]1O Amb25233177 [2,0,0,0,0,0|1,0,1]=4
8  B14R1.136  C[C@@H]1O[C@@H](OCCF)[C@@H](O)[C@H](O)[C@@H]1O Amb24088490 [2,0,0,0,0,0|1,0,0]=3
9  B14R1.136  C[C@@H]1O[C@@H](OCCI)[C@@H](O)[C@H](O)[C@@H]1O Amb24088494 [2,0,0,0,0,0|1,0,0]=3
10  B14R1.136  C[C@@H]1O[C@@H](OCCN)[C@@H](O)[C@H](O)[C@@H]1O Amb25213080 [2,0,0,0,0,0|1,0,0]=3
11  B14R1.8824  OC[C@H](O)C[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O Amb25223084 [2,0,0,0,0,0|2,0,0]=4
12  B18R1.165953  OCC1(O)C[C@@H](NC(CO)CO)C(O)[C@H](O)[C@H]1O Amb19134256 [0,2,0,0,0,0|2,0,0]=4
13  B14R1.2876  CC1NC(C(O)CO)C(O)C(O)C1O Amb24585731 [1,0,0,0,1,0|1,0,0]=3
14  B14R1.2876  C[C@H]1N[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O Amb25229567 [1,0,0,0,1,0|1,0,0]=3
15  B14R1.2876  NC1C(O)OC(C(O)CO)C(O)C1O Amb24707892 [1,0,0,0,1,0|2,0,0]=4
16  B14R1.2876  N[C@@H]1C(O)O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O Amb24716032 [1,0,0,0,1,0|2,0,0]=4
17  B14R1.2876  N[C@@H]1[C@@H](O)O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O Amb24580719 [1,0,0,0,1,0|2,0,0]=4
18  B14R1.2876  N[C@@H]1[C@H](O)O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O Amb24629250 [1,0,0,0,1,0|2,0,0]=4
19  B14R1.2876  N[C@H](CO)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O Amb25233592 [1,0,0,0,1,0|2,0,0]=4
20  B14R1.2876  N[C@H]1C(O)O[C@@H](C(O)CO)[C@H](O)[C@@H]1O Amb24621891 [1,0,0,0,1,0|2,0,0]=4
21  B14R1.2876  N[C@H]1C(O)O[C@H](C(O)CO)[C@H](O)[C@H]1O Amb25302338 [1,0,0,0,1,0|2,0,0]=4
22  B14R1.2876  OCC(C1OC(O)C([C@H]([C@H]1O)O)O)N Amb17612343 [1,0,0,0,1,0|2,0,0]=4
23  B14R1.2876  OCC(O)C1OC(O)C(O)C(O)C1O Amb24617517 [1,0,0,0,1,0|1,0,0]=3
24  B14R1.2876  OC[C@@H](O)C1OC(O)C(O)C(O)[C@@H]1O Amb25338462 [1,0,0,0,1,0|1,0,0]=3
25  B14R1.2876  OC[C@@H](O)[C@@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O Amb22353151 [1,0,0,0,1,0|1,0,0]=3
26  B14R1.2876  OC[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H](O)[C@H]1O Amb24667974 [1,0,0,0,1,0|1,0,1]=4
27  B14R1.2876  OC[C@@H](O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O Amb22801685 [1,0,0,0,1,0|1,0,0]=3
28  B14R1.2876  OC[C@@H](O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O Amb24605333 [1,0,0,0,1,0|1,0,0]=3
29  B14R1.2876  OC[C@H](C1OC(O)C(C(C1O)O)O)O Amb17614800 [1,0,0,0,1,0|1,0,0]=3
30  B14R1.2876  OC[C@H](O)C1OC(O)C(O)C(O)[C@@H]1O Amb25247817 [1,0,0,0,1,0|1,0,0]=3