0  B8R1.21  CC1CC1S(=O)(=O)N Z2418729163 [0,0,0,0,0,0|3,0,1]=4
1  B8R1.21  CC1OC1P(=O)([O-])[O-] Z2210710388 [0,0,0,0,0,0|0,0,2]=2
2  B8R1.21  C[C@@H]1O[C@@H]1P(=O)([O-])[O-] Z1583387379 [0,0,0,0,0,0|0,0,2]=2
3  B7R1.12  CC(=O)C1CC1C Z1259336498 [1,0,0,0,0,0|3,0,0]=4
4  B7R1.12  CC1CC1C(=O)N Z33546780 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.12  C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,0,0,0|2,0,0]=3
6  B7R1.12  C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,0,0,0|2,0,0]=3
7  B7R1.26  CC(C)(O)C1CO1 Z1504677029 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.9  CC(O)CC(C)(C)O Z1255485267 [0,0,1,0,0,0|3,0,0]=4
9  B7R0.9  CC(O)CS(=O)(=O)C Z991513264 [0,0,1,0,0,0|2,0,1]=4
10  B7R0.9  CC(O)CS(=O)(=O)[O-] Z3300698020 [0,0,1,0,0,0|1,0,2]=4
11  B7R0.9  O=C(O)CP(=O)(O)O Z277558864 [0,0,1,0,0,0|1,0,1]=3
12  B9R2.120  CC1(OCC2C1O2)C Z2181913948 [0,0,0,1,0,0|3,0,0]=4
13  B6R0.4  CCCCB(O)O Z1147227739 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.4  CCCCC(=O)O Z104473312 [1,0,1,0,0,0|2,0,0]=4
15  B6R0.4  CCNCC(=O)O Z744593094 [1,0,1,0,0,0|2,0,0]=4
16  B6R0.4  CCOCC(=O)O Z104495232 [1,0,1,0,0,0|1,0,0]=3
17  B6R0.5  N#CCP(=O)(O)O Z3025383580 [1,0,1,0,0,0|1,0,1]=4
18  B6R0.2  CC(C)CB(O)O Z1098324138 [1,0,1,0,0,0|2,0,0]=4
19  B6R0.2  CC(C)CC(=O)O Z104474910 [1,0,1,0,0,0|2,0,0]=4
20  B6R0.2  CC(N)CC(=O)O Z147647144 [1,0,1,0,0,0|2,0,0]=4
21  B6R0.2  C[C@H](N)CC(=O)O Z1741969208 [1,0,1,0,0,0|2,0,0]=4
22  B6R0.3  CCC(C)C(=O)O Z237374874 [1,0,1,0,0,0|2,0,0]=4
23  B6R0.3  CCC(N)C(=O)O Z104495144 [1,0,1,0,0,0|2,0,0]=4
24  B6R0.3  CCC(O)C(=O)N Z965049008 [1,0,1,0,0,0|2,0,0]=4
25  B6R0.3  CCC(O)C(=O)O Z246073650 [1,0,1,0,0,0|1,0,0]=3
26  B6R0.3  CCC(O)C(C)O Z1251352132 [1,0,1,0,0,0|2,0,0]=4
27  B6R0.3  CC[C@@H](N)C(=O)O Z904976986 [1,0,1,0,0,0|2,0,0]=4
28  B6R0.3  CC[C@H](C)C(=O)O Z1205493564 [1,0,1,0,0,0|2,0,0]=4
29  B6R0.3  CC[C@H](N)C(=O)O Z1741965569 [1,0,1,0,0,0|2,0,0]=4
30  B6R1.8  CC1CC1C=O Z1079442440 [2,0,0,0,0,0|2,0,0]=4
31  B6R1.8  CC1CC1CO Z397587430 [2,0,0,0,0,0|2,0,0]=4
32  B6R1.8  CC1OC1CCl Z1205657581 [2,0,0,0,0,0|2,0,0]=4
33  B6R1.8  C[C@H]1C[C@@H]1C=O Z1511765506 [2,0,0,0,0,0|2,0,0]=4
34  B6R1.8  C[C@H]1C[C@H]1C=O Z1511760860 [2,0,0,0,0,0|2,0,0]=4
35  B8R0.21  NCCCOP(=O)(O)O Z1198158583 [0,1,1,0,0,0|2,0,0]=4
36  B8R0.27  CC(O)C(O)P(=O)(O)O Z2050515563 [0,1,1,0,0,0|0,0,0]=2
37  B8R1.30  C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [1,1,0,0,0,0|2,0,0]=4
38  B8R1.43  CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [1,1,0,0,0,0|2,0,0]=4
39  B8R1.43  NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [1,1,0,0,0,0|2,0,0]=4
40  B8R1.67  C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [1,1,0,0,0,0|2,0,0]=4
41  B8R1.77  CC1(CC1C(=O)O)C Z979743336 [1,1,0,0,0,0|2,0,0]=4
42  B8R1.23  CC1CC(C1)C(=O)O Z1198158393 [1,0,0,0,0,1|2,0,0]=4