mirror of
https://github.com/rdkit/rdkit.git
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90 lines
2.2 KiB
Plaintext
90 lines
2.2 KiB
Plaintext
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SciTegic01181116592D
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36 41 0 0 0 0 999 V2000
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-3.1960 -20.3395 0.0000 C 0 0 2 0 0 0
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-1.7704 -19.5098 0.0000 C 0 0
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-2.4817 -19.0987 0.0000 C 0 0
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-3.1960 -19.5114 0.0000 C 0 0 2 0 0 0
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-4.0171 -21.7775 0.0000 C 0 0
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-3.1921 -21.7775 0.0000 C 0 0
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-2.7763 -21.0619 0.0000 C 0 0 2 0 0 0
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-4.4281 -21.0663 0.0000 C 0 0
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-2.0577 -21.4777 0.0000 C 0 0 2 0 0 0
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-4.0179 -20.3565 0.0000 C 0 0 2 0 0 0
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-4.0337 -19.5114 0.0000 C 0 0 1 0 0 0
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-4.8296 -19.2683 0.0000 O 0 0
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-5.3112 -19.9445 0.0000 C 0 0
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-4.8166 -20.6123 0.0000 O 0 0
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-1.7853 -20.3104 0.0000 C 0 0 1 0 0 0
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-2.3411 -20.6109 0.0000 C 0 0 1 0 0 0
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-1.2224 -21.4777 0.0000 C 0 0
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-1.0146 -20.7014 0.0000 O 0 0
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-2.4817 -18.2701 0.0000 C 0 0
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-2.5623 -21.8647 0.0000 H 0 0
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-5.9354 -19.3942 0.0000 C 0 0
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-5.9253 -20.5065 0.0000 C 0 0
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-1.0611 -19.8920 0.0000 H 0 0
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-3.9117 -18.6882 0.0000 H 0 0
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-1.9519 -22.2912 0.0000 H 0 0
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-1.5536 -20.8189 0.0000 H 0 0
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-0.4062 -21.4757 0.0000 C 0 0
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-0.8203 -22.1861 0.0000 C 0 0
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-1.2357 -22.8935 0.0000 C 0 0
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-0.8308 -23.6069 0.0000 C 0 0
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-2.0560 -22.8875 0.0000 C 0 0
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0.0012 -20.7636 0.0000 C 0 0
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0.8215 -20.7604 0.0000 C 0 0
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-0.4118 -20.0547 0.0000 C 0 0
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-3.4100 -18.7086 0.0000 O 0 0
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-1.7616 -17.8517 0.0000 O 0 0
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4 11 1 0
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7 9 1 0
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16 9 1 0
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10 11 1 0
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11 12 1 0
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12 13 1 0
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13 14 1 0
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10 14 1 1
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15 16 1 0
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9 17 1 0
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17 18 1 0
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18 15 1 0
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3 19 1 0
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7 20 1 6
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13 21 1 0
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13 22 1 0
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15 23 1 1
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11 24 1 6
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9 25 1 1
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1 16 1 1
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16 26 1 1
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1 4 1 0
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17 27 1 0
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15 2 1 0
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17 28 1 0
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2 3 2 0
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28 29 1 0
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3 4 1 0
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29 30 1 0
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8 5 1 0
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29 31 1 0
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8 10 1 0
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27 32 1 0
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5 6 1 0
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32 33 1 0
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6 7 1 0
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32 34 1 0
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7 1 1 0
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10 1 1 0
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4 35 1 6
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19 36 1 0
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M END
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> <chembl_id>
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CHEMBL1269997
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> <chebi_id>
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809235
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$$$$
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