0 B6R0.3 CCC(=O)C(=O)O YMDB00071 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.3 CCC(=O)C(C)=O YMDB01434 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 COC(=O)C(C)C YMDB01748 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CC(C)=CCS YMDB01604 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CCOC(C)=O YMDB00569 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.5 CC(=O)C(=O)O YMDB00175 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.5 CC(=O)C(C)=O YMDB00367 [1,0,0,0,0,0|1,0,0]=2 7 B5R0.5 CC(=O)[C@@H](C)O YMDB00410 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.5 CC(C)C(=O)O YMDB01320 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.5 C[C@@H](N)C(=O)O YMDB00993 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.5 C[C@@H](O)C(=O)O YMDB00287 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.5 C[C@H](N)C(=O)O YMDB00154 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.5 C[C@H](O)C(=O)O YMDB00247 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.5 C=C(C)C(=O)OCC YMDB01685 [0,1,0,0,0,0|0,0,0]=1 14 B7R0.5 CCCC(=O)C(C)=O YMDB01708 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)C(C)O YMDB01429 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.10 CCC(=O)C(O)CC YMDB00804 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.16 CC(C)C(=O)C(=O)O YMDB00365 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.4 CC1=C(S)C=CO1 YMDB01443 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.4 CC1SCCC1=O YMDB01467 [0,0,0,1,0,0|2,0,1]=4 20 B4R0.1 CC(=O)C=O YMDB00170 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.1 CC(=O)CN YMDB00892 [2,0,0,0,0,0|1,0,1]=4 22 B4R0.1 CC(C)C=O YMDB00482 [2,0,0,0,0,0|0,0,2]=4 23 B4R0.1 CCC(=O)O YMDB00857 [2,0,0,0,0,0|0,0,1]=3 24 B4R0.1 CN(C)C=O YMDB01396 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.1 C[C@@H](O)C=O YMDB00111 [2,0,0,0,0,0|1,0,1]=4 26 B4R0.1 C[C@H](O)C=O YMDB00167 [2,0,0,0,0,0|1,0,1]=4 27 B4R0.1 NCC(=O)O YMDB00016 [2,0,0,0,0,0|1,0,1]=4 28 B4R0.1 O=C(O)CO YMDB00807 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 O=CC(=O)O YMDB00033 [2,0,0,0,0,0|1,0,0]=3 30 B4R0.2 C=COCC YMDB01335 [2,0,0,0,0,0|2,0,0]=4 31 B8R0.5 CCOC(=O)CC(C)C YMDB01334 [0,1,0,0,0,1|0,0,2]=4 32 B8R0.5 CCOC(=O)CC(C)O YMDB01425 [0,1,0,0,0,1|1,0,1]=4 33 B8R0.3 CCOC(=O)C(C)CC YMDB01353 [0,2,0,0,0,0|0,0,2]=4 34 B8R1.11 CCC1=C(C)N=CO1 YMDB01498 [0,1,0,1,0,0|1,0,1]=4 35 B8R1.11 CSC1=C(C)OC=C1 YMDB01452 [0,1,0,1,0,0|1,0,1]=4 36 B8R1.50 CC1=C(O)C(=O)CC1 YMDB01663 [0,1,0,1,0,0|2,0,0]=4