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'PubChemFP773': ('Clc1c(Cl)cccc1', 0),
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'PubChemFP812': ('[#7][#6]1[#6][#6]([#7])[#6][#6][#6]1', 0),
'PubChemFP813': ('[#7][#6]1[#6][#6](Cl)[#6][#6][#6]1', 0),
'PubChemFP814': ('[#7][#6]1[#6][#6](Br)[#6][#6][#6]1', 0),
'PubChemFP815': ('Cl[#6]1[#6][#6](Cl)[#6][#6][#6]1', 0),
'PubChemFP816': ('Cl[#6]1[#6][#6](Br)[#6][#6][#6]1', 0),
'PubChemFP817': ('Br[#6]1[#6][#6](Br)[#6][#6][#6]1', 0),
'PubChemFP818': ('[#6][#6]1[#6]([#6])[#6][#6][#6][#6]1', 0),
'PubChemFP819': ('[#6][#6]1[#6]([#8])[#6][#6][#6][#6]1', 0),
'PubChemFP820': ('[#6][#6]1[#6]([#16])[#6][#6][#6][#6]1', 0),
'PubChemFP821': ('[#6][#6]1[#6]([#7])[#6][#6][#6][#6]1', 0),
'PubChemFP822': ('[#6][#6]1[#6](Cl)[#6][#6][#6][#6]1', 0),
'PubChemFP823': ('[#6][#6]1[#6](Br)[#6][#6][#6][#6]1', 0),
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'PubChemFP826': ('[#8][#6]1[#6]([#7])[#6][#6][#6][#6]1', 0),
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'PubChemFP836': ('Cl[#6]1[#6](Cl)[#6][#6][#6][#6]1', 0),
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'PubChemFP854': ('[#7][#6]1[#6][#6]([#7])[#6][#6]1', 0),
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'PubChemFP857': ('Cl[#6]1[#6][#6](Cl)[#6][#6]1', 0),
'PubChemFP858': ('Cl[#6]1[#6][#6](Br)[#6][#6]1', 0),
'PubChemFP859': ('Br[#6]1[#6][#6](Br)[#6][#6]1', 0),
'PubChemFP860': ('[#6][#6]1[#6]([#6])[#6][#6][#6]1', 0),
'PubChemFP861': ('[#6][#6]1[#6]([#8])[#6][#6][#6]1', 0),
'PubChemFP862': ('[#6][#6]1[#6]([#16])[#6][#6][#6]1', 0),
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'PubChemFP875': ('[#7][#6]1[#6]([#7])[#6][#6][#6]1', 0),
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'PubChemFP880': ('Br[#6]1[#6](Br)[#6][#6][#6]1', 0)}
|