File: fragmentPatterns.txt

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//   Name	SMARTS
hydrogen	[H]
fluorine	[F]
chlorine	[Cl]
bromine	[Br]
iodine	[I]
lithium	[Li]
sodium	[Na]
potassium	[K]
calcium	[Ca]
magnesium	[Mg]
aluminium	[Al]
barium	[Ba]
bismuth	[Bi]
silver	[Ag]
strontium	[Sr]
zinc	[Zn]
ammonia/ammonium	[#7]
water/hydroxide	[#8]
methyl amine	[#6]-[#7]
sulfide	S
nitrate	[#7](=[#8])(-[#8])-[#8]
phosphate	[P](=[#8])(-[#8])(-[#8])-[#8]
hexafluorophosphate	[P](-[#9])(-[#9])(-[#9])(-[#9])(-[#9])-[#9]
sulfate	[S](=[#8])(=[#8])(-[#8])-[#8]
methyl sulfonate	[#6]-[S](=[#8])(=[#8])(-[#8])
trifluoromethanesulfonic acid	[#8]-[S](=[#8])(=[#8])-[#6](-[#9])(-[#9])-[#9]
trifluoroacetic acid	[#9]-[#6](-[#9])(-[#9])-[#6](=[#8])-[#8]
1,2-dichloroethane	[Cl]-[#6]-[#6]-[Cl]
1,2-dimethoxyethane	[#6]-[#8]-[#6]-[#6]-[#8]-[#6]
1,4-dioxane	[#6]-1-[#6]-[#8]-[#6]-[#6]-[#8]-1
1-methyl-2-pyrrolidinone	[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1=[#8]
2-butanone	[#6]-[#6]-[#6](-[#6])=[#8]
acetate/acetic acid	[#8]-[#6](-[#6])=[#8]
acetone	[#6]-[#6](-[#6])=[#8]
acetonitrile	[#6]-[#6]#[N]
benzene	[#6]1[#6][#6][#6][#6][#6]1
butanol	[#8]-[#6]-[#6]-[#6]-[#6]
t-butanol	[#8]-[#6](-[#6])(-[#6])-[#6]
chloroform	[Cl]-[#6](-[Cl])-[Cl]
cycloheptane	[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1
cyclohexane	[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
dichloromethane	[Cl]-[#6]-[Cl]
diethyl ether	[#6]-[#6]-[#8]-[#6]-[#6]
diisopropyl ether	[#6]-[#6](-[#6])-[#8]-[#6](-[#6])-[#6]
dimethyl formamide	[#6]-[#7](-[#6])-[#6]=[#8]
dimethyl sulfoxide	[#6]-[S](-[#6])=[#8]
ethanol	[#8]-[#6]-[#6]
ethyl acetate	[#6]-[#6]-[#8]-[#6](-[#6])=[#8]
formic acid	[#8]-[#6]=[#8]
heptane	[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]
hexane	[#6]-[#6]-[#6]-[#6]-[#6]-[#6]
isopropanol	[#8]-[#6](-[#6])-[#6]
methanol	[#8]-[#6]
N,N-dimethylacetamide	[#6]-[#7](-[#6])-[#6](-[#6])=[#8]
pentane	[#6]-[#6]-[#6]-[#6]-[#6]
propanol	[#8]-[#6]-[#6]-[#6]
pyridine	[#6]-1=[#6]-[#6]=[#7]-[#6]=[#6]-1
t-butyl methyl ether	[#6]-[#8]-[#6](-[#6])(-[#6])-[#6]
tetrahydrofurane	[#6]-1-[#6]-[#6]-[#8]-[#6]-1
toluene	[#6]-[#6]~1~[#6]~[#6]~[#6]~[#6]~[#6]~1
xylene	[#6]-[#6]~1~[#6](-[#6])~[#6]~[#6]~[#6]~[#6]~1