0  B10R1.8  CCC1CC(=O)CC(=O)C1 CDS014187 [1,0,0,0,0,0|1,0,1]=3
1  B10R1.10  CCCC1CCCC(=O)O1 CDS001273 [1,0,0,0,0,0|1,0,2]=4
2  B10R0.2  CCCC(N)CC(=O)OCC CBR01547 [0,0,1,0,0,0|2,0,1]=4
3  B10R0.6  CCCCCC(=O)C=C(C)C T270466 [0,0,1,0,0,0|0,0,0]=1
4  B10R0.6  CCCCNC(=O)CC(=O)C R466115 [0,0,1,0,0,0|2,0,1]=4
5  B10R0.6  CCCOCC(C)OC(=O)C S84450 [0,0,1,0,0,0|2,0,1]=4
6  B10R0.6  COCCOC(=O)C=C(C)C S240443 [0,0,1,0,0,0|2,0,0]=3
7  B12R2.1153  O=C1CC2CCCC(C1)(C2)O T276936 [0,0,0,1,0,0|1,0,2]=4
8  B10R1.130  CCCC1SC(=NC1=O)N PH012717 [0,0,0,0,1,0|3,0,0]=4
9  B10R1.130  CCCN1N=C(C=C1C)N CBR01395 [0,0,0,0,1,0|3,0,0]=4
10  B10R1.131  CCCC1OC(=O)C(O1)C S397873 [0,0,0,0,1,0|2,0,1]=4
11  B10R1.131  CNCC1CC(=O)N(C1)C CBR01734 [0,0,0,0,1,0|2,0,0]=3
12  B9R0.5  C(=C/C(=O)CCCC#N)\C T270555 [1,0,1,0,0,0|1,0,1]=4
13  B9R0.5  CCCCC/C(=C/C#N)/C PH007331 [1,0,1,0,0,0|1,0,1]=4
14  B9R0.5  CCCCCC(=O)CCC S411825 [1,0,1,0,0,0|0,0,2]=4
15  B9R0.4  CCCCC(=O)CC(=O)C CDS001230 [1,0,1,0,0,0|1,0,1]=4
16  B9R0.4  CCCCC(=O)CC(=O)C S839590 [1,0,1,0,0,0|1,0,1]=4
17  B9R0.14  CCCC(CC)NC(=O)N S502553 [1,0,1,0,0,0|2,0,0]=4
18  B9R1.34  CC1CC(=O)CC(C1)C S419052 [2,0,0,0,0,0|0,0,2]=4
19  B11R0.2  CC(C)OC(=O)CCCCCCl S362891 [0,1,1,0,0,0|1,0,1]=4
20  B11R0.2  CCCCCCC(=O)CC(C)C S350567 [0,1,1,0,0,0|0,0,2]=4
21  B11R0.154  CCCCCC(C)NC(=O)CCl S380253 [0,1,1,0,0,0|1,0,1]=4
22  B11R1.187  CCN1CC(CC1=O)CNC CBR01511 [0,1,0,0,1,0|2,0,0]=4
23  B11R1.30  CCOC(=O)CC1CCCC1 S433101 [0,0,1,1,0,0|1,0,1]=4
24  B11R1.678  CC1CC(NC(=O)C(C1)C)C T162787 [0,0,1,1,0,0|1,0,1]=4
25  B11R1.27  CCCCSC1=CC(=O)CC1 T217042 [0,0,1,1,0,0|1,0,0]=3
26  B11R1.77  CC(=O)/C=C(\C)/N1CCCC1 PH009354 [0,0,1,1,0,0|1,0,0]=3
27  B11R1.156  CC(=O)N1C(CCCC1C)C PH000406 [0,0,1,1,0,0|1,0,1]=4
28  B11R1.928  CC(=O)NC1(CCCCC1)C PH011306 [0,0,1,1,0,0|1,0,1]=4
29  B11R2.678  O=C1CC2CCCC(C1)C2 T293415 [1,0,0,1,0,0|0,0,2]=4
30  B11R2.106  [C@@H]12CCCC(=O)[C@@H]1CCC2 T167339 [1,0,0,1,0,0|0,0,2]=4
31  B11R2.10  O=C1C=C2CCCCC2C1 S58549 [0,0,0,1,1,0|0,0,0]=2
32  B11R2.10  [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [0,0,0,1,1,0|1,0,1]=4
33  B11R2.202  CC1=CC(=O)C2C1CCC2 T289019 [0,0,0,1,1,0|0,0,0]=2
34  B11R2.8  [C@@H]12CCC[C@@H]1[C@@H](C(=O)C2)C T298115 [0,0,0,1,1,0|0,0,1]=3
35  B13R2.4719  O=C1CC2CCCCCC(C1)C2 T292923 [0,1,0,1,0,0|0,0,2]=4
36  B13R2.13501  N1C(=O)CC2(CCCC2)CC1=O S355895 [0,1,0,1,0,0|2,0,0]=4
37  B13R2.22572  CC12CCCC(C1)(CC(=O)C2)O PH009118 [0,1,0,1,0,0|0,0,2]=4
38  B9R0.47  CCCCCC(=O)C(C)C S357944 [0,0,1,0,1,0|0,0,1]=3
39  B9R0.15  C=CCC(CCC)C(=O)O PH004878 [0,0,1,0,1,0|1,0,1]=4
40  B9R0.15  CCCC(CCC)C(=O)Cl CDS001452 [0,0,1,0,1,0|1,0,1]=4
41  B9R1.22  CCC1CC(=O)NN1C PH013333 [1,0,0,0,1,0|2,0,0]=4
42  B9R1.23  CN1CC(CC1=O)CN CBR00012 [1,0,0,0,1,0|2,0,0]=4
43  B9R1.7  CCCC1=CC=C(O1)C L159743 [1,0,0,0,1,0|1,0,1]=4