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d9b06a733b
* Fixes #1936 doctests of the book still need to be verified * a fix that is related to #1940 * add test for what was actually reported
22 lines
701 B
Plaintext
22 lines
701 B
Plaintext
MFCD00013403
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RDKit 2D
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7 7 0 0 0 0 0 0 0 0999 V2000
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3.4167 3.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0736 2.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4167 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9407 0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7570 1.7010 0.0000 C 0 0 0 0 0 2 0 0 0 0 0 0
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0.7570 3.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9407 4.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0
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2 3 1 0
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3 4 2 0
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4 5 1 0
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5 6 1 0
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6 7 2 0
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7 1 1 0
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M CHG 1 5 1
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M RAD 1 5 2
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M END
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