mirror of
https://github.com/rdkit/rdkit.git
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51 lines
2.1 KiB
Plaintext
51 lines
2.1 KiB
Plaintext
CHEBI:20745
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Marvin 03051216372D
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22 22 0 0 0 0 999 V2000
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-3.1832 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1832 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7543 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7543 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 3.7750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.4687 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8977 0.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1832 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.1832 -0.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0398 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7543 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7543 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0398 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3253 0.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3253 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3891 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1036 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1.1036 -2.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
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0.3891 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3253 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5 1 1 0 0 0 0
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5 4 2 0 0 0 0
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1 2 2 0 0 0 0
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2 7 1 0 0 0 0
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7 3 2 0 0 0 0
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3 4 1 0 0 0 0
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5 6 1 0 0 0 0
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7 8 1 0 0 0 0
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8 10 2 0 0 0 0
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8 13 1 0 0 0 0
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10 9 1 0 0 0 0
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10 11 1 0 0 0 0
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13 12 2 0 0 0 0
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13 14 1 0 0 0 0
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14 15 2 0 0 0 0
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15 17 1 0 0 0 0
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17 16 1 0 0 0 0
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17 18 2 0 0 0 0
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18 21 1 0 0 0 0
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18 19 1 0 0 0 0
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21 20 1 0 0 0 0
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21 22 2 0 0 0 0
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M CHG 1 20 -1
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M END
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