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demodiff_downstream

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liuganghuggingface commited on
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Upload Perindopril_MPO/positive.csv

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  1. Perindopril_MPO/positive.csv +7 -0
Perindopril_MPO/positive.csv ADDED
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+ smiles,score
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+ CCOC(=O)[C@H](CSCc1ccc2ccccc2c1)N[C@@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)O,0.7662610281769212
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+ CCOC(=O)[C@H](CSCc1ccc2ccccc2c1)NC(C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)O,0.7662610281769212
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+ CCOC(=O)[C@H](CSCc1ccc2ccccc2c1)N[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)O,0.7662610281769212
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+ CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O,0.7897862851668316
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+ CCOC(=O)C(Cc1c[nH]c2ccccc12)N[C@@H](C)C(=O)N1C2CCCCC2C[C@H]1C(=O)O,0.7897862851668316
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+ CCOC(=O)C(Cc1c[nH]c2ccccc12)N[C@@H](C)C(=O)N1C(C(=O)O)CC2CCCCC21,0.7897862851668316