0  B7R0.5  CSCC(N)C(=O)O AO-800/41069568 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.4  O=CNCC(=O)O AH-034/32838045 [1,0,0,0,0,0|2,0,1]=4
2  B8R1.5  N[C@H]1CCCC[C@@H]1O AN-907/25060015 [0,0,0,1,0,0|2,0,1]=4
3  B7R0.13  CC(C)(CBr)C(=O)O AQ-917/42754027 [1,1,0,0,0,0|1,0,0]=3
4  B7R0.13  CC(C)(CO)C(=O)O AQ-917/40987623 [1,1,0,0,0,0|1,0,0]=3
5  B7R0.13  CCC(C)(O)C(=O)O AB-131/40897105 [1,1,0,0,0,0|0,0,0]=2
6  B7R0.16  C\C(Br)=C(/C)C(=O)O AI-942/25121055 [1,1,0,0,0,0|0,0,2]=4
7  B7R0.6  CC(=O)NCC(=O)O AB-131/40177771 [1,1,0,0,0,0|1,0,1]=4
8  B9R0.15  CCCC(SCC)C(=O)[O-] AE-641/30108020 [0,2,0,0,0,0|0,0,1]=3
9  B7R1.1  ON=C1CCCC1 AH-034/32464031 [1,0,0,1,0,0|1,0,1]=4
10  B7R1.4  NC1CCOC1=O AR-527/43171946 [1,0,0,1,0,0|2,0,0]=4
11  B7R1.18  O=C(O)C1CCC1 AJ-190/40848564 [1,0,0,1,0,0|0,0,0]=2
12  B9R1.7  CCOC1CCC(=O)N1 AN-967/25120022 [0,0,0,1,0,1|2,0,0]=4
13  B9R1.41  O=C(O)C1=C(Cl)CCC1 AN-970/40920458 [0,0,0,1,0,1|1,0,1]=4
14  B9R1.37  C[C@@H]1OC(=O)[C@H](O)[C@H]1I AK-823/41252400 [0,1,0,1,0,0|1,0,0]=3
15  B9R1.6  NC(=O)N1CCCCC1 AL-398/25017069 [0,1,0,1,0,0|2,0,0]=4
16  B9R1.6  NC(=O)N1CCOCC1 AT-159/40222951 [0,1,0,1,0,0|2,0,0]=4
17  B9R1.35  O=C1CC(C(=O)O)CS1 AP-836/41220349 [0,1,0,1,0,0|1,0,1]=4
18  B9R1.35  O=C1CCC(C(=O)O)C1 AJ-190/25036001 [0,1,0,1,0,0|0,0,1]=3
19  B9R1.35  O=C1CCC(C(=O)O)N1 AG-205/32710031 [0,1,0,1,0,0|1,0,1]=4
20  B9R0.48  CCC\C(C)=N\NC(N)=O AN-068/25067007 [0,0,0,0,0,2|1,0,1]=4