0  B9R0.1  CC(C)CCOC(=O)CS 7799AF [1,0,0,0,0,0|1,0,0]=2
1  B9R0.1  CCC(=O)SCCN(C)C Z3446 [1,0,0,0,0,0|1,1,0]=3
2  B9R0.1  COC(=O)CCCN(C)C Y1182 [1,0,0,0,0,0|3,0,0]=4
3  B9R0.2  CCCCCCCC(C)O R396 [1,0,0,0,0,0|2,0,1]=4
4  B11R0.6  C[C@@H](O)CCOC(=O)C[C@@H](C)O 3760AH [0,1,0,0,0,0|1,0,0]=2
5  B11R0.180  CCCC(=O)OCC[N+](C)(C)C 8141AF [0,1,0,0,0,0|1,0,0]=2
6  B11R0.180  CCCC(=O)OCC[N+](C)(C)C 8142AF [0,1,0,0,0,0|1,0,0]=2
7  B9R0.48  C\C=C\C(=O)OCC(C)C S489 [0,0,0,0,1,0|0,0,2]=3
8  B8R0.6  CCCCCC(=O)SC U833 [2,0,0,0,0,0|2,0,0]=4
9  B8R0.6  CCCCOC(=O)C=O 3194AL [2,0,0,0,0,0|1,0,1]=4
10  B8R0.7  CCCCCCC(C)I 7978AF [2,0,0,0,0,0|1,0,1]=4
11  B8R0.28  CC(=S)OCCN(C)C Z2414 [2,0,0,0,0,0|1,1,0]=4
12  B8R0.4  CCCC#CCCCC 6656AL [2,0,0,0,0,0|1,0,1]=4
13  B8R0.4  CCCCNCCCC 8015AF [2,0,0,0,0,0|1,0,1]=4
14  B8R0.4  CCCC[NH2+]CCCC 8018AF [2,0,0,0,0,0|1,0,1]=4
15  B8R0.4  CCC\C=C\CCCC 6655AL [2,0,0,0,0,0|1,0,0]=3
16  B8R0.1  C=CCOC(=O)CCC 7766AF [2,0,0,0,0,0|0,0,2]=4
17  B8R0.1  CCCC(=O)OCSC Y1950 [2,0,0,0,0,0|1,0,0]=3
18  B10R0.60  CCC(=O)OCC[N+](C)(C)C 7987AF [1,1,0,0,0,0|1,0,0]=3
19  B10R0.60  CCC(=O)SCC[N+](C)(C)C 7656AH [1,1,0,0,0,0|1,1,0]=4
20  B10R0.97  CC(C)CCSCCC(C)C 5782AF [1,1,0,0,0,0|0,1,1]=4
21  B10R0.2  CCCC(=O)CC(=O)CCC 7298AJ [1,1,0,0,0,0|1,0,1]=4
22  B10R0.108  CCCC(=O)OCC(O)CO 7802AF [1,1,0,0,0,0|1,0,0]=3
23  B10R0.26  CCOC(=O)CC(O)C(C)C 5409AB [0,1,0,0,1,0|1,0,0]=3
24  B12R0.3  CC(C)CC(=O)CC(C)CC(C)C 6038AF [0,2,0,0,0,0|1,0,0]=3
25  B12R0.285  CCCC(=O)OCCC(S)CCC U387 [0,2,0,0,0,0|1,0,0]=3
26  B10R1.21  CCCCOB1CCCO1 6241AB [1,0,0,1,0,0|1,0,1]=4
27  B10R1.138  CCCC(=O)OCC1CO1 E489 [1,0,0,1,0,0|1,0,0]=3
28  B10R1.113  CC(C)C1CC(=O)CCN1 4601AB [0,0,0,1,1,0|1,0,0]=3
29  B10R1.113  CC(C)C1COCC(=O)N1 5387AA [0,0,0,1,1,0|2,0,0]=4
30  B12R1.317  CCOC(=O)C1CNCC1(C)C 4073AJ [0,0,0,1,0,1|2,0,0]=4
31  B8R0.9  CCC(C)CCC(C)C 5380AL [1,0,0,0,1,0|1,0,1]=4
32  B8R0.5  CCCC(=O)CC(C)=O 3453AL [0,0,0,0,2,0|1,0,1]=4
33  B8R0.5  CCOC(=O)OC(C)I 9891AH [0,0,0,0,2,0|2,0,0]=4
34  B8R0.5  C\C=C\C(=O)OC(C)C 8103AL [0,0,0,0,2,0|0,0,2]=4