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RDKit 3D
10 9 0 0 0 0 0 0 0 0999 V2000
-2.8552 -2.2338 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3982 -1.8030 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3716 -0.3439 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1282 0.1542 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 -0.6554 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0164 -0.3884 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4227 -0.7802 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 1.6113 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4775 2.1654 0.7977 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3077 2.2739 -1.4244 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
4 8 1 0
8 9 2 0
8 10 1 0
M END
> <zinc_id> (1)
ZINC000003008621
> <smiles> (1)
CCCC(CCC)C(=O)O
$$$$
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