0 B6R0.6 C/C=C\CCCO HMDB0031502 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 CCC/C=C/CO HMDB0030952 [0,0,0,0,0,0|1,1,2]=4 2 B6R0.6 CCCC=CC=O HMDB0031496 [0,0,0,0,0,0|1,1,2]=4 3 B6R0.6 CCCCCC=O HMDB0005994 [0,0,0,0,0,0|1,1,1]=3 4 B6R0.6 CCCCCCC HMDB0031447 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 CCCCCCN HMDB0032323 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCCCCO HMDB0012971 [0,0,0,0,0,0|1,1,1]=3 7 B6R0.6 CCCCCSS HMDB0031160 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCCCN=C=S HMDB0031328 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.6 CCCCON=O HMDB0031329 [0,0,0,0,0,0|2,1,0]=3 10 B6R0.6 CCCSCCC HMDB0031431 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CCCSSSC HMDB0031871 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CNCCCCN HMDB0003661 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 NCCCCC=O HMDB0012815 [0,0,0,0,0,0|2,1,1]=4 14 B6R0.6 NCCCCCN HMDB0002322 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 C=CCN=C=S HMDB0005843 [1,0,0,0,0,0|0,0,2]=3 16 B5R0.2 CCCCC=O HMDB0031206 [1,0,0,0,0,0|0,1,1]=3 17 B5R0.2 CCCCCC HMDB0029600 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.2 CCCCCO HMDB0013036 [1,0,0,0,0,0|0,1,1]=3 19 B5R0.2 CCCCCS HMDB0032457 [1,0,0,0,0,0|0,0,2]=3 20 B5R0.2 CCCSSC HMDB0031872 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.2 CCOCCO HMDB0031213 [1,0,0,0,0,0|1,1,1]=4 22 B5R0.2 CSCCC=O HMDB0031857 [1,0,0,0,0,0|1,1,1]=4 23 B5R0.2 CSCCCO HMDB0031716 [1,0,0,0,0,0|1,1,1]=4 24 B5R0.2 CSCCSC HMDB0031708 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 NCCCC=O HMDB0001080 [1,0,0,0,0,0|1,1,1]=4 26 B5R0.2 NCCCCN HMDB0001414 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCCCCC=C HMDB0032449 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.1 CCCCCCC=O HMDB0031475 [0,1,0,0,0,0|1,1,1]=4 29 B7R0.1 CCCCCCCC HMDB0001485 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.1 CCCCCCCO HMDB0031479 [0,1,0,0,0,0|1,1,1]=4 31 B7R0.1 CCCCCCCS HMDB0032304 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.1 CCCCCCOC HMDB0032407 [0,1,0,0,0,0|1,1,1]=4 33 B7R0.1 CCCCCSSC HMDB0031161 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.1 CCCCOCCO HMDB0031327 [0,1,0,0,0,0|1,1,1]=4 35 B7R0.1 CCCCSSCC HMDB0032180 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.1 SCCCCCCS HMDB0031709 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.3 CCCCC(C)CC HMDB0031583 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.4 CC(C)CCN=C=S HMDB0032341 [0,1,0,0,0,0|0,0,0]=1 41 B7R0.4 CC(O)CCCCO HMDB0031490 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.4 CCCCCC(C)=O HMDB0003671 [0,1,0,0,0,0|1,1,1]=4 43 B7R0.4 CCCCCC(C)O HMDB0033908 [0,1,0,0,0,0|1,1,1]=4 44 B7R0.4 CCCCCC(C)S HMDB0032303 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.4 CCCCCC(O)=O HMDB0000535 [0,1,0,0,0,0|1,1,1]=4 46 B7R0.4 CCCCNC(C)=O HMDB0031651 [0,1,0,0,0,0|0,1,2]=4 47 B7R0.4 CCCCOC(C)=O HMDB0031325 [0,1,0,0,0,0|1,1,1]=4 48 B7R0.4 CSSCCC(C)C HMDB0032408 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.7 CCCC(C)CC=O HMDB0032405 [0,1,0,0,0,0|1,1,1]=4 50 B7R1.1 O=NN1CCCC1 HMDB0031642 [0,0,0,1,0,0|1,1,1]=4 51 B7R1.3 CC1CCCCN1 HMDB0032416 [0,0,0,1,0,0|1,0,2]=4 52 B7R1.3 NC1CCCCC1 HMDB0031404 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.3 O=C1CCCCC1 HMDB0003315 [0,0,0,1,0,0|1,1,1]=4 54 B7R1.3 O=C1CCCCN1 HMDB0011749 [0,0,0,1,0,0|0,1,2]=4 55 B4R0.2 CCCC=O HMDB0003543 [2,0,0,0,0,0|0,1,1]=4 56 B4R0.2 CCCCC HMDB0029603 [2,0,0,0,0,0|0,0,1]=3 57 B4R0.2 CCCCN HMDB0031321 [2,0,0,0,0,0|0,0,1]=3 58 B4R0.2 CCCCO HMDB0004327 [2,0,0,0,0,0|0,1,0]=3 59 B4R0.2 CCCCS HMDB0031322 [2,0,0,0,0,0|0,0,1]=3 60 B4R0.2 CCCSO HMDB0030299 [2,0,0,0,0,0|1,1,0]=4 61 B4R0.2 CCNCC HMDB0041878 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.2 CCON=O HMDB0031239 [2,0,0,0,0,0|1,1,0]=4 63 B4R0.2 CCSCC HMDB0031666 [2,0,0,0,0,0|1,0,1]=4 64 B4R0.2 CSCCO HMDB0032425 [2,0,0,0,0,0|1,1,0]=4 65 B4R0.2 NCCCN HMDB0000002 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.2 SCCCS HMDB0031632 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 CCCC(C)C=O HMDB0031578 [1,1,0,0,0,0|0,1,1]=4 68 B6R0.1 CCCC(O)C=C HMDB0031503 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.1 CCCC(O)CC HMDB0031493 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 CC(C)CCC=O HMDB0001318 [1,1,0,0,0,0|0,1,1]=4 71 B6R0.4 CC(C)CN=C=S HMDB0032345 [1,1,0,0,0,0|0,0,0]=2 72 B6R0.4 CCCCC(C)=O HMDB0005842 [1,1,0,0,0,0|0,1,1]=4 73 B6R0.4 CCCCC(O)=O HMDB0000892 [1,1,0,0,0,0|0,1,1]=4 74 B8R0.4 CS/C=C\CCN=C=S HMDB0031576 [0,2,0,0,0,0|0,0,1]=3 75 B8R0.7 CS(=O)CCCN=C=S HMDB0006095 [0,2,0,0,0,0|0,0,0]=2 76 B6R1.1 C1CCCCC1 HMDB0029597 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.2 CC1CCC=C1 HMDB0031544 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.2 CC1CCCC1 HMDB0031542 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.2 O=C1CCCC1 HMDB0031407 [1,0,0,1,0,0|0,1,1]=4