0  B6R0.3  CC(CO)C(=O)[O-] 4034 [0,0,0,0,0,0|1,0,1]=2
1  B6R0.3  CC[C@H](O)C(=O)O 3680 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.3  NC(=O)[C@H](N)CS 361 [0,0,0,0,0,0|3,0,0]=3
3  B6R0.3  O=C(O)[C@@H](O)CO 3697 [0,0,0,0,0,0|2,0,0]=2
4  B5R0.1  O=C(O)\C=N\O 1812 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.3  C=C[C@@H](O)CO 4518 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.5  CN(CC#N)C(=O)Cl 4532 [0,1,0,0,0,0|2,0,1]=4
7  B7R0.10  C=C(CBr)C(=O)OC 1082 [0,1,0,0,0,0|1,0,2]=4
8  B7R0.16  CC(C)[C@@H](O)C(=O)O 4139 [0,1,0,0,0,0|1,0,0]=2
9  B7R1.19  CC(=O)C1(Cl)CC1 1907 [0,0,0,1,0,0|2,0,0]=3
10  B7R0.2  CC[C@@H](C)CC(=O)O 911 [0,0,0,0,0,1|0,0,0]=1
11  B7R0.2  CC[C@H](C)CC(=O)O 916 [0,0,0,0,0,1|0,0,0]=1
12  B6R0.4  O=C(O)\C=C\CO 3677 [1,1,0,0,0,0|0,0,2]=4
13  B6R0.8  CSC(C)(C)C=O 1908 [1,1,0,0,0,0|1,0,0]=3
14  B6R0.9  OCC(CO)CO 2901 [1,1,0,0,0,0|1,0,1]=4
15  B6R0.7  CC(C)(C)C(N)=O 213 [1,1,0,0,0,0|1,0,0]=3
16  B8R0.2  CC[C@H](C)[C@H](O)C(=O)O 4121 [0,1,0,0,0,1|0,0,0]=2
17  B8R0.27  CC(C)(C)[C@@H](O)C(=O)O 4582 [0,2,0,0,0,0|1,0,0]=3
18  B6R1.2  N=C1CCCS1 2998 [1,0,0,1,0,0|1,1,0]=4