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predict_data/chem3.sdf
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predict_data/chem3.sdf
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»¯ºÏÎï3.sdf
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ChemDraw09272416392D
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62 65 0 0 1 0 0 0 0 0999 V2000
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0.1723 0.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8649 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5186 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8655 0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.8655 0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5186 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5186 1.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1723 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2118 0.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2118 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.5582 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.2507 0.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9044 0.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5970 0.8007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.9044 -0.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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33 34 1 0
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30 33 1 6
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17 23 1 0
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50 57 2 0
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50 58 1 0
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33 62 1 0
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M END
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$$$$
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