0 B6R0.1 CCCC(=O)OC YMDB01743 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCOC(=O)CC YMDB01331 [0,0,0,0,0,0|0,0,2]=2 2 B5R0.1 CCCC(=O)O YMDB01392 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 CCCC([O-])=S YMDB01781 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CCOC(C)=O YMDB00569 [1,0,0,0,0,0|0,0,1]=2 5 B5R0.1 NCCC(=O)O YMDB00195 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 CCC(C)C=O YMDB00485 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 O=C(CO)CO YMDB00018 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 CCC(=O)CCSC YMDB01450 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.3 COC(=O)CCSC YMDB01750 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [0,1,0,0,0,0|0,0,0]=1 11 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [0,1,0,0,0,0|1,0,1]=3 12 B7R0.5 CCOC(=O)C(C)O YMDB01429 [0,1,0,0,0,0|0,0,2]=3 13 B7R0.7 CCCC(=O)OCC YMDB01385 [0,1,0,0,0,0|0,0,2]=3 14 B7R0.10 CCC(=O)C(O)CC YMDB00804 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.12 C\C=C(/C=O)CSC YMDB01485 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 CC(=O)C=O YMDB00170 [2,0,0,0,0,0|1,0,0]=3 17 B4R0.1 CC(=O)CN YMDB00892 [2,0,0,0,0,0|1,0,1]=4 18 B4R0.1 CCC(=O)O YMDB00857 [2,0,0,0,0,0|1,0,0]=3 19 B4R0.1 NCC(=O)O YMDB00016 [2,0,0,0,0,0|1,0,1]=4 20 B4R0.1 O=C(O)CO YMDB00807 [2,0,0,0,0,0|1,0,1]=4 21 B4R0.1 O=CC(=O)O YMDB00033 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.2 C=COCC YMDB01335 [2,0,0,0,0,0|0,0,0]=2 23 B4R0.2 CCOC=O YMDB01684 [2,0,0,0,0,0|0,0,0]=2 24 B4R0.2 NCCC=O YMDB00048 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.2 CC(C)CC(=O)O YMDB01606 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.2 CC(O)CC(=O)O YMDB01561 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.3 CCC(=O)C(=O)O YMDB00071 [1,1,0,0,0,0|2,0,0]=4 28 B6R0.3 CCC(=O)C(C)=O YMDB01434 [1,1,0,0,0,0|1,0,1]=4 29 B6R0.3 CCC(C)C(=O)O YMDB01587 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.3 CCC(O)C(=O)O YMDB00441 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.3 CC[C@H](N)C(=O)O YMDB01570 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.4 CCCCC(=O)O YMDB01484 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.4 CCCOC(C)=O YMDB01390 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.4 NCCCC(=O)O YMDB00335 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.5 CCOP(=O)(O)O YMDB02306 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.6 CCC\C=C/C=O YMDB01655 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.6 CCC\C=C\CO YMDB01676 [1,1,0,0,0,0|1,0,1]=4 38 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.2 CC[C@H](C)C(=O)C(=O)O YMDB00168 [0,2,0,0,0,0|2,0,0]=4 40 B8R0.5 CCOC(=O)CC(C)C YMDB01334 [0,2,0,0,0,0|0,0,2]=4 41 B8R0.5 CCOC(=O)CC(C)O YMDB01425 [0,2,0,0,0,0|0,0,2]=4 42 B8R0.23 CC(C)CC(=O)C(=O)O YMDB00388 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.1 C=C\C=C\C(C)OCC YMDB01583 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.1 CCCCC(=O)OCC YMDB01342 [0,2,0,0,0,0|0,0,2]=4 45 B8R0.1 CCCOC(=O)CCC YMDB01397 [0,2,0,0,0,0|0,0,2]=4 46 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,2,0,0,0,0|0,0,2]=4 47 B8R0.3 CCOC(=O)C(C)CC YMDB01353 [0,2,0,0,0,0|0,0,2]=4 48 B8R0.6 C=CC(=O)CCCCC YMDB01444 [0,2,0,0,0,0|1,0,0]=3 49 B8R0.8 CSCCC(=O)C(=O)O YMDB00421 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.9 C=CC(=O)OCC(C)C YMDB01746 [0,2,0,0,0,0|0,0,0]=2 51 B6R1.2 O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|0,0,1]=3 52 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,1,0,0|0,0,1]=3 53 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,1,0,0|0,1,1]=4 54 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,1,0,0|0,1,1]=4 55 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,1,0,1,0,0|0,0,2]=4 56 B8R1.50 CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,1,0,0|2,0,0]=4