0 B6R0.1 CCCC(=O)OC YMDB01743 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCOC(=O)CC YMDB01331 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 CC(C)=CCS YMDB01604 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 CCCC(=O)O YMDB01392 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CCOC(C)=O YMDB00569 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.2 CCSSCC YMDB01671 [1,0,0,0,0,0|2,0,1]=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|0,0,2]=3 9 B7R0.3 COC(=O)CCSC YMDB01750 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [0,1,0,0,0,0|0,0,3]=4 12 B7R0.5 CCOC(=O)C(C)O YMDB01429 [0,1,0,0,0,0|1,0,1]=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|0,0,2]=3 15 B7R0.12 C\C=C(/C=O)CSC YMDB01485 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.1 CCC1=CC=CO1 YMDB01437 [0,0,0,1,0,0|0,0,2]=3 17 B7R1.1 CCC1=NC=CS1 YMDB01505 [0,0,0,1,0,0|1,1,1]=4 18 B7R1.1 CSC1=CSC=C1 YMDB01449 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.1 OCC1=CC=CS1 YMDB01447 [0,0,0,1,0,0|1,1,1]=4 20 B7R1.1 SCC1=CC=CO1 YMDB01433 [0,0,0,1,0,0|1,0,2]=4 21 B7R1.4 CC1=C(S)C=CO1 YMDB01443 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.4 CC1=C(S)C=CS1 YMDB01502 [0,0,0,1,0,0|1,1,1]=4 23 B7R1.4 CC1SCCC1=O YMDB01467 [0,0,0,1,0,0|1,0,2]=4 24 B4R0.1 CC(=O)C=O YMDB00170 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 CC(=O)CN YMDB00892 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.1 CCC(=O)O YMDB00857 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.1 NCC(=O)O YMDB00016 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 O=C(O)CO YMDB00807 [2,0,0,0,0,0|2,0,0]=4 29 B4R0.1 O=CC(=O)O YMDB00033 [2,0,0,0,0,0|2,0,0]=4 30 B4R0.2 C=COCC YMDB01335 [2,0,0,0,0,0|1,0,0]=3 31 B4R0.2 CCOC=O YMDB01684 [2,0,0,0,0,0|1,0,1]=4 32 B4R0.2 CCSCC YMDB01672 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CCC(=O)C(=O)O YMDB00071 [1,1,0,0,0,0|1,0,1]=4 34 B6R0.3 CCC(=O)C(C)=O YMDB01434 [1,1,0,0,0,0|0,0,1]=3 35 B6R0.4 CCCOC(C)=O YMDB01390 [1,1,0,0,0,0|0,0,2]=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|0,0,1]=3 38 B6R0.6 CC\C=C/CCO YMDB01420 [1,1,0,0,0,0|0,0,1]=3 39 B6R0.6 CC\C=C\CCO YMDB01421 [1,1,0,0,0,0|0,0,1]=3 40 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,1,0,0,0,0|0,0,1]=3 41 B8R0.5 CCOC(=O)CC(C)C YMDB01334 [0,2,0,0,0,0|0,0,2]=4 42 B8R0.5 CCOC(=O)CC(C)O YMDB01425 [0,2,0,0,0,0|0,0,2]=4 43 B8R0.1 CCCCC(=O)OCC YMDB01342 [0,2,0,0,0,0|0,0,2]=4 44 B8R0.1 CCCOC(=O)CCC YMDB01397 [0,2,0,0,0,0|0,0,2]=4 45 B8R0.1 CCOC(=O)CCCO YMDB01419 [0,2,0,0,0,0|0,0,2]=4 46 B8R0.3 CCOC(=O)C(C)CC YMDB01353 [0,2,0,0,0,0|0,0,2]=4 47 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,1,0,0|0,1,1]=4 48 B6R1.2 O=C1CCCO1 YMDB01418 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.1 CC1=CC=C(CS)O1 YMDB01503 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.1 CCC1=CN=C(C)S1 YMDB01509 [0,1,0,1,0,0|0,1,0]=3 51 B8R1.1 CCC1CCC(=O)O1 YMDB01618 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.50 CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,1,0,0|0,0,0]=2 53 B8R1.8 SCCC1=CC=CO1 YMDB01460 [0,1,0,1,0,0|0,0,2]=4