0 B6R0.4 CC(C)CCCO YMDB01348 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.1 CC(C)=CCS YMDB01604 [1,0,0,0,0,0|0,1,2]=4 2 B5R0.1 CC(C)CC=O YMDB00499 [1,0,0,0,0,0|0,0,1]=2 3 B5R0.1 CC(C)CCO YMDB00570 [1,0,0,0,0,0|0,0,3]=4 4 B5R0.2 CSCCC=O YMDB01466 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.2 NCCCC=O YMDB00587 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.6 CC(=O)OCC(C)C YMDB00572 [0,1,0,0,0,0|1,0,1]=3 7 B7R0.6 CC(=O)OCC(C)C YMDB01589 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.6 O=C(O)\C=C\C(=O)O YMDB00101 [0,1,0,0,0,0|2,0,1]=4 9 B7R1.3 CC1=NC=CC=C1 YMDB01458 [0,0,0,1,0,0|2,0,1]=4 10 B4R0.1 CC(=O)C=O YMDB00170 [2,0,0,0,0,0|1,0,1]=4 11 B4R0.1 CC(C)C=O YMDB00482 [2,0,0,0,0,0|0,0,0]=2 12 B4R0.1 CC(C)CO YMDB00573 [2,0,0,0,0,0|0,0,2]=4 13 B4R0.1 CN(C)C=O YMDB01396 [2,0,0,0,0,0|1,0,0]=3 14 B4R0.1 C[C@@H](O)C=O YMDB00111 [2,0,0,0,0,0|1,0,0]=3 15 B4R0.1 C[C@H](O)C=O YMDB00167 [2,0,0,0,0,0|1,0,0]=3 16 B4R0.2 C=COCC YMDB01335 [2,0,0,0,0,0|1,0,0]=3 17 B4R0.2 CCOC=O YMDB01684 [2,0,0,0,0,0|1,0,0]=3 18 B4R0.2 NCCC=O YMDB00048 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.2 CC(C)CC(=O)O YMDB01606 [1,1,0,0,0,0|0,0,1]=3 20 B6R0.2 CC(O)CC(=O)O YMDB01561 [1,1,0,0,0,0|1,0,1]=4 21 B6R0.3 COC(=O)C(C)C YMDB01748 [1,1,0,0,0,0|1,0,1]=4 22 B6R0.6 CCCCCC=O YMDB01759 [1,1,0,0,0,0|0,0,2]=4 23 B6R0.6 CCC\C=C/C=O YMDB01655 [1,1,0,0,0,0|0,0,0]=2 24 B6R0.6 CCC\C=C\CO YMDB01676 [1,1,0,0,0,0|0,0,2]=4 25 B6R0.6 CC\C=C/CCO YMDB01420 [1,1,0,0,0,0|0,0,2]=4 26 B6R0.6 CC\C=C\CCO YMDB01421 [1,1,0,0,0,0|0,0,2]=4 27 B6R0.6 C\C=C\C=C\CO YMDB01707 [1,1,0,0,0,0|0,0,2]=4 28 B8R0.23 CC(C)CC(=O)C(=O)O YMDB00388 [0,2,0,0,0,0|0,0,1]=3 29 B8R0.23 CC(C)CC(O)C(=O)O YMDB02318 [0,2,0,0,0,0|0,0,2]=4 30 B8R0.23 CC(C)C[C@@H](N)C(=O)O YMDB00997 [0,2,0,0,0,0|0,0,2]=4 31 B8R0.23 CC(C)C[C@H](N)C(=O)O YMDB00387 [0,2,0,0,0,0|0,0,2]=4 32 B8R0.1 C=C\C=C\C(C)OCC YMDB01583 [0,2,0,0,0,0|1,0,0]=3 33 B8R0.9 C=CC(=O)OCC(C)C YMDB01746 [0,2,0,0,0,0|1,0,1]=4 34 B8R0.9 CCC(C)COC(C)=O YMDB00568 [0,2,0,0,0,0|1,0,1]=4 35 B8R0.28 CC(=O)CCC=C(C)C YMDB00877 [0,2,0,0,0,0|0,0,2]=4 36 B8R0.28 CC(=O)OCCC(C)C YMDB00571 [0,2,0,0,0,0|0,0,2]=4 37 B6R1.2 CC1=CC=CS1 YMDB01462 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.1 CC1=CC=C(C=O)O1 YMDB01435 [0,1,0,1,0,0|1,0,1]=4 39 B8R1.1 CC1=CC=C(C=O)S1 YMDB01445 [0,1,0,1,0,0|1,0,1]=4