0  B22R0.37842  CCCCCCCCCCCCCCCCCC(=O)OC(C)C MCULE-3731648811 [0,0,0,0,0,0|3,0,0]=3
1  B22R0.37842  CCCCCCCCCCCCCCCCNC(=O)OC(C)C MCULE-2410852462 [0,0,0,0,0,0|4,0,0]=4
2  B21R0.81  CCCCCCCCCCCCCCCCCC=CC(=O)O MCULE-9297237540 [1,0,0,0,0,0|2,0,1]=4
3  B21R0.2907  C=COC(=O)CCCCCCCCCCCCCCCCC MCULE-3805960874 [1,0,0,0,0,0|2,0,0]=3
4  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCC MCULE-3414589628 [1,0,0,0,0,0|2,0,0]=3
5  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCCl MCULE-5709243578 [1,0,0,0,0,0|2,0,0]=3
6  B21R0.2907  CCCCCCCCCCCCCCCCCC(=O)OCI MCULE-4466117960 [1,0,0,0,0,0|2,0,0]=3
7  B23R1.194779  CCCCCCCCCCCCCCCCC1CC(=O)OC1=O MCULE-3187174795 [0,0,0,1,0,0|2,0,1]=4
8  B21R0.36769  CCCCCCCCCCCCCCCCCC(=O)N(C)C MCULE-1840809648 [0,0,0,0,1,0|3,0,0]=4
9  B21R0.36769  CCCCCCCCCCCCCCCCOC(=O)C(C)O MCULE-6975680728 [0,0,0,0,1,0|3,0,0]=4
10  B23R0.9276  CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O MCULE-1050379360 [0,0,0,0,0,1|2,0,1]=4
11  B23R0.9276  CCCCCCCCCCCCCCCCCC(=O)OCC(C)C MCULE-5039254404 [0,0,0,0,0,1|3,0,0]=4
12  B23R0.9276  CCCCCCCCCCCCCCCCCC(=O)OCC(C)O MCULE-1266207415 [0,0,0,0,0,1|2,0,0]=3
13  B20R0.31940  CCCCCCCCCCCCCCCCCCB(O)O MCULE-4425312913 [2,0,0,0,0,0|1,0,1]=4
14  B20R0.39  CCCCCCCCCCCCCCCCC(=O)OCC MCULE-3916038569 [2,0,0,0,0,0|2,0,0]=4
15  B20R0.39  CCCCCCCCCCCCCCCCC(=O)OCCl MCULE-4551655923 [2,0,0,0,0,0|2,0,0]=4
16  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)NC MCULE-5204951477 [2,0,0,0,0,0|2,0,0]=4
17  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)NN MCULE-7304182763 [2,0,0,0,0,0|2,0,0]=4
18  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)OC MCULE-4040350805 [2,0,0,0,0,0|1,0,0]=3
19  B20R0.3034  COC(=O)CCCCCCCCCCCCCCCCO MCULE-1486220691 [2,0,0,0,0,0|2,0,0]=4
20  B22R0.54  CCCCCCCCCCCCCCCCCCC(=O)OCC MCULE-8035292791 [1,1,0,0,0,0|2,0,0]=4
21  B22R0.38211  CCCCCCC(O)CCCCCCCCCCC(=O)OCC MCULE-5339275906 [1,1,0,0,0,0|2,0,0]=4
22  B22R0.38515  C=CCOC(=O)CCCCCCCCCCCCCCCCC MCULE-2195267101 [1,1,0,0,0,0|2,0,0]=4
23  B22R0.38515  CCCCCCCCCCCCCCCCCC(=O)NCCO MCULE-2155628141 [1,1,0,0,0,0|2,0,0]=4
24  B22R0.38515  CCCCCCCCCCCCCCCCCC(=O)OCCCl MCULE-7434426499 [1,1,0,0,0,0|2,0,0]=4
25  B22R0.38515  CCCCCCCCCCCCCCCCCC(=O)OCCO MCULE-6821432182 [1,1,0,0,0,0|1,0,0]=3
26  B24R0.25590  CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO MCULE-2198239945 [0,1,0,0,0,1|1,0,0]=3
27  B24R0.25592  CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO MCULE-1198013351 [0,2,0,0,0,0|1,0,0]=3
28  B24R0.25592  CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO MCULE-3135609550 [0,2,0,0,0,0|1,0,0]=3
29  B24R1.1561479  CCCCCCCCCCCCCCCCCC(=O)OCC1CO1 MCULE-4114264368 [0,0,0,1,0,1|2,0,0]=4
30  B24R0.34069  CCCCCCCCCCCCCCCCCC(=O)OCCC(=O)O MCULE-6758166245 [0,0,0,0,0,2|1,0,1]=4