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Running
on
CPU Upgrade
Upload compound_library.csv
Browse files
data/examples/compound_library.csv
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ID1,X1
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DB03247,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C
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DB07837,O=C(O)Cc1ccc(-c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)cc1
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DB08191,O=C(O)c1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1
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DB02594,Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
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DB02452,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
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DB03312,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
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DB04485,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
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DB04472,[N-]=[N+]=NC[C@H](O)c1ccc([N+](=O)[O-])cc1
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DB03309,O=S(=O)(O)CCNC1CCCCC1
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DB02789,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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