0  B4R0.1  NCC(=O)O AB-131/40217813 [1,0,0,0,0,0|1,0,0]=2
1  B6R0.3  CC(C)C(=O)NN AE-848/30741004 [0,1,0,0,0,0|2,0,0]=3
2  B6R0.3  CN(C)C(=O)CN AS-787/43399849 [0,1,0,0,0,0|3,0,0]=4
3  B6R0.7  CC(C)(C)C(=N)N AG-690/33428046 [0,1,0,0,0,0|3,0,0]=4
4  B6R0.7  CC(C)(C)C(N)=O AC-907/25014088 [0,1,0,0,0,0|2,0,0]=3
5  B6R0.2  CC(C)=CC(=O)O AE-848/32066036 [0,0,0,0,0,1|1,0,1]=3
6  B5R0.1  CCSC(=N)N AE-641/00560030 [1,1,0,0,0,0|2,0,0]=4
7  B5R0.1  C\C(N)=C/C=O AJ-333/25022116 [1,1,0,0,0,0|1,0,1]=4
8  B7R0.2  CO\C(C)=C/C(=O)O AJ-087/25124015 [0,1,0,0,0,1|0,0,1]=3
9  B7R0.16  C\C(Br)=C(/C)C(=O)O AI-942/25121055 [0,1,0,0,0,1|1,0,1]=4
10  B7R0.5  CSCC(N)C(=O)O AO-800/41069568 [0,2,0,0,0,0|1,0,0]=3
11  B7R0.13  CC(C)(CBr)C(=O)O AQ-917/42754027 [0,2,0,0,0,0|1,0,0]=3
12  B7R0.13  CC(C)(CO)C(=O)O AQ-917/40987623 [0,2,0,0,0,0|0,0,0]=2
13  B7R0.13  CCC(C)(O)C(=O)O AB-131/40897105 [0,2,0,0,0,0|0,0,0]=2
14  B7R1.4  NC1CCOC1=O AR-527/43171946 [0,1,0,1,0,0|1,0,0]=3
15  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [0,1,0,1,0,0|1,0,0]=3
16  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [0,0,0,0,0,2|0,0,2]=4