0  B9R1.34  CC1SC(SC(S1)C)C S741523 [0,0,0,0,0,0|0,3,0]=3
1  B9R1.34  C[C@@H]1C[C@@H](C[C@@H](C1)C)O PH019597 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.4  CC1CCOC(O1)C S346918 [1,0,0,0,0,0|1,0,0]=2
3  B8R1.4  CC1CCOS(=O)O1 S359173 [1,0,0,0,0,0|3,0,0]=4
4  B8R1.4  CC1CSCC(O1)C S347396 [1,0,0,0,0,0|3,0,0]=4
5  B8R1.4  N1C(CCCC1C)C S379425 [1,0,0,0,0,0|3,0,0]=4
6  B8R1.4  N1C(CCCC1C)C S379727 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.329  CC1CC(NC(C1)(C)C)C PH012624 [0,1,0,0,0,0|3,0,0]=4
8  B10R2.71  C1(CC2CCC(C1)O2)O T184810 [0,0,0,1,0,0|3,0,0]=4
9  B8R1.18  CC1=NC(OC1C)C CDS001470 [0,0,0,0,1,0|1,0,1]=3
10  B8R1.18  CC1CC(C(=O)O1)C S327565 [0,0,0,0,1,0|2,0,1]=4
11  B8R1.18  C[C@H]1CC(=O)O[C@H]1C T261912 [0,0,0,0,1,0|2,0,1]=4
12  B7R0.2  CCC(O)CC(C)O PH001987 [1,0,1,0,0,0|2,0,0]=4
13  B7R0.7  CCOC(C)CCO S322008 [1,0,1,0,0,0|1,0,0]=3
14  B7R0.7  CCOC(C)CNC CBR01487 [1,0,1,0,0,0|2,0,0]=4
15  B11R1.10  C=CC1OC(CC(O1)(C)C)C S553247 [0,2,0,0,0,0|1,0,1]=4
16  B9R2.68  C1CC2CCC(C1)O2 T173541 [1,0,0,1,0,0|2,0,0]=4
17  B7R0.5  CCCC(C)C(C)O S433373 [0,0,1,0,1,0|1,0,0]=3
18  B7R0.5  CCOC(C)C(=O)O CBR01494 [0,0,1,0,1,0|1,0,1]=4
19  B7R1.2  CC1CCC(N1)C S652032 [1,0,0,0,1,0|2,0,0]=4
20  B7R1.2  CC1COS(=O)O1 S409928 [1,0,0,0,1,0|2,0,0]=4
21  B7R1.2  C[C@H]1CC[C@H](N1)C PH016832 [1,0,0,0,1,0|2,0,0]=4
22  B7R1.4  CC1CCCC1C R289701 [1,0,0,0,1,0|2,0,0]=4
23  B7R1.4  CC1OCOC1C T332674 [1,0,0,0,1,0|0,0,0]=2
24  B9R0.48  CCOC(C)OCC(C)C CDS018832 [0,0,1,0,0,1|1,0,0]=3