Brian Kelley d1985caaa7 cdxml parser (#5273)

2022-09-28 05:49:27 +02:00

..

bond_types.cdxml

Unset executable flag

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bond-query2.mol

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bond-query3.mol

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bond-query4.mol

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bond-query.cdxml

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bond-query.mol

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chain1.cdxml

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chain2.cdxml

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chain3.cdxml

cdxml parser (#5273)

2022-09-28 05:49:27 +02:00

chain4.cdxml

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do_smiles.bomb.py

Fix python invalid escape sequences (#3508)

2020-10-17 04:34:55 +02:00

do_smiles.py

Fix python invalid escape sequences (#3508)

2020-10-17 04:34:55 +02:00

easy_smiles.txt

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github3553.sdf

Fixes #3553 (#3554)

2020-11-09 08:06:14 -05:00

issue2082.mol

Fix 2D/3D interpretation of V2000 ctabs (#2083)

2018-10-03 21:05:33 +02:00

issue2983794.sdf

fix sf.net issue 2983794

2010-04-08 13:39:40 +00:00

list-query.cdxml

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list-query.mol

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mol1.mol

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ntp_smiles.txt

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query2.mol

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query.cdxml

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ring1.cdxml

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ring2.cdxml

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ring3.cdxml

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rtecs_smiles.5000.txt

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rtecs_smiles.txt

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