SMILES
stringlengths
2
724
IUPAC
stringlengths
6
1.34k
CCCS(=O)OC
methylpropane-1-sulfinate
FC=CC(F)Br
1-bromo-1,3-difluoroprop-2-ene
O=C(O)c1cccc(F)c1OI
3-fluoro-2-iodooxybenzoicacid
CC(F)N(O)F
N-fluoro-N-(1-fluoroethyl)hydroxylamine
SNCc1ccc2c(c1)OCO2
N-(1,3-benzodioxol-5-ylmethyl)thiohydroxylamine
OCN(F)Cl
[chloro(fluoro)amino]methanol
OOOC(Cl)Cl
dichloro(hydroperoxyoxy)methane
CCc1ccc(CI)cc1
1-ethyl-4-(iodomethyl)benzene
CC=COF
prop-1-enylhypofluorite
COCCCCC(=O)NCc1ccc2c(c1)OCO2
N-(1,3-benzodioxol-5-ylmethyl)-5-methoxypentanamide
CCCSCCS
2-propylsulfanylethanethiol
BrCSI
bromomethylthiohypoiodite
O=C(F)CCC=CF
5-fluoropent-4-enoylfluoride
COOc1ccc(C(=O)CCC(=O)O)cc1
4-(4-methylperoxyphenyl)-4-oxobutanoicacid
N#CN=CCO
2-hydroxyethylidenecyanamide
O=C(O)CCI
3-iodopropanoicacid
SNI
N-iodothiohydroxylamine
CCC(=O)I
propanoyliodide
N#Cc1c(F)cccc1CCl
2-(chloromethyl)-6-fluorobenzonitrile
ICSSI
iodo(iododisulfanyl)methane
COC1CC=CC=C1I
1-iodo-6-methoxycyclohexa-1,3-diene
C#COI
ethynylhypoiodite
CCSC(=S)NCCCOCC1CC1
ethylN-[3-(cyclopropylmethoxy)propyl]carbamodithioate
NS(=O)(=O)I
sulfamoyliodide
COOCc1ccc(S(N)(=O)=O)cc1
4-(methylperoxymethyl)benzenesulfonamide
CC(C)N(F)CCO
2-[fluoro(propan-2-yl)amino]ethanol
CSSCI
iodo(methyldisulfanyl)methane
OCOC1CC1
cyclopropyloxymethanol
O=C(F)CCS
3-sulfanylpropanoylfluoride
SC=NI
N-iodomethanimidothioicacid
COON=CF
fluoroN-methylperoxymethanimine
COCCNC(C)=S
N-(2-methoxyethyl)ethanethioamide
COC=NI
methylN-iodomethanimidate
CCC(=O)c1cccc(Br)c1
1-(3-bromophenyl)propan-1-one
O=C(O)CI
2-iodoaceticacid
N#CN=C=O
isocyanatoformonitrile
N#CCCNF
3-(fluoroamino)propanenitrile
C=CSI
ethenylthiohypoiodite
N#CSN=CF
N-cyanosulfanylmethanimidoylfluoride
CCCC#CN(C)N=O
N-methyl-N-nitrosopent-1-yn-1-amine
COCCCC(=O)NC(Cc1ccccc1)C(=O)NF
N-[1-(fluoroamino)-1-oxo-3-phenylpropan-2-yl]-4-methoxybutanamide
SCSCCCl
2-chloroethylsulfanylmethanethiol
O=CCSCl
2-oxoethylthiohypochlorite
COc1ccccc1N(C=N)S(=O)(=O)c1ccccc1
N-methanimidoyl-N-(2-methoxyphenyl)benzenesulfonamide
COCC(OCCC1SC1F)OC(=O)O
[1-[2-(3-fluorothiiran-2-yl)ethoxy]-2-methoxyethyl]hydrogencarbonate
FCCN1C=CN(CC2=CC=CCC2)C1
1-(cyclohexa-1,3-dien-1-ylmethyl)-3-(2-fluoroethyl)-2H-imidazole
CSSCOO
hydroperoxy(methyldisulfanyl)methane
CSN=CF
fluoroN-methylsulfanylmethanimine
FCOCS
fluoromethoxymethanethiol
CC(I)CF
1-fluoro-2-iodopropane
COOCCS
2-methylperoxyethanethiol
N#COCS
sulfanylmethoxyformonitrile
CCc1ccsc1CNC(=O)NF
1-[(3-ethylthiophen-2-yl)methyl]-3-fluorourea
COOC(S)I
iodo(methylperoxy)methanethiol
CCCN(C#CCCSSC)N=O
4-(methyldisulfanyl)-N-nitroso-N-propylbut-1-yn-1-amine
CC1CC1CC(=S)COBr
[3-(2-methylcyclopropyl)-2-sulfanylidenepropyl]hypobromite
CCC(=O)Nc1ccc(OC)c(NS(C)=O)c1
N-[3-(methanesulfinamido)-4-methoxyphenyl]propanamide
CCc1ccsc1CNC(=O)NC(=O)CC(C)(C)I
N-[(3-ethylthiophen-2-yl)methylcarbamoyl]-3-iodo-3-methylbutanamide
BrCSCBr
bromo(bromomethylsulfanyl)methane
O=Cc1cc(F)cc(I)c1
3-fluoro-5-iodobenzaldehyde
CCCCC(=S)CCC1CO1
1-(oxiran-2-yl)heptane-3-thione
CC(CF)SI
1-fluoropropan-2-ylthiohypoiodite
SCNCI
iodomethylaminomethanethiol
CN(C(=S)CC1CC1OO)C1CCCCC1
N-cyclohexyl-2-(2-hydroperoxycyclopropyl)-N-methylethanethioamide
CCC(C)(C)F
2-fluoro-2-methylbutane
CSOC=CC(N)=S
3-methylsulfanyloxyprop-2-enethioamide
CC(CF)CC#N
4-fluoro-3-methylbutanenitrile
CCOCC(N)=S
2-ethoxyethanethioamide
O=S(Br)CCCCCl
4-chlorobutylsulfinylbromide
CCCCS(=O)Nc1cc(NC(=O)CC)ccc1OC
N-[3-(butylsulfinylamino)-4-methoxyphenyl]propanamide
CC(C)(F)CCNF
N-fluoro-3-fluoro-3-methylbutan-1-amine
CN(C)CCC#N
3-(dimethylamino)propanenitrile
Cc1cc(N=O)ccc1CBr
1-(bromomethyl)-2-methyl-4-nitrosobenzene
FCCOI
2-fluoroethylhypoiodite
CCC1CC1
ethylcyclopropane
SCSSCl
chlorodisulfanylmethanethiol
N#CSCC(F)I
(2-fluoro-2-iodoethyl)thiocyanate
C#CCSI
prop-2-ynylthiohypoiodite
COOC(=O)C(N)Cc1ccc(O)cc1
methyl2-amino-3-(4-hydroxyphenyl)propaneperoxoate
O=C(NCO)C1CCCN(I)C1
N-(hydroxymethyl)-1-iodopiperidine-3-carboxamide
N#CSNI
iodoaminothiocyanate
CCN(C)O
N-ethyl-N-methylhydroxylamine
CCSC=NC#N
ethylN-cyanomethanimidothioate
C=CC(=O)c1ccc(OCC)c(S)c1
1-(4-ethoxy-3-sulfanylphenyl)prop-2-en-1-one
COOCN=[N+]=[N-]
azido(methylperoxy)methane
OCCCCCF
5-fluoropentan-1-ol
O=COCF
fluoromethylformate
CSCC(=O)NS
2-methylsulfanyl-N-sulfanylacetamide
S=CCCI
3-iodopropanethial
C=CSCSC
1-(methylsulfanylmethylsulfanyl)ethene
ON(F)CBr
N-(bromomethyl)-N-fluorohydroxylamine
N#CN(O)F
fluoro(hydroxy)cyanamide
O=S(CCl)CCCCF
1-(chloromethylsulfinyl)-4-fluorobutane
CCC(N)=O
propanamide
O=NBr
bromonitrite
OCCC(Br)OF
(1-bromo-3-hydroxypropyl)hypofluorite
CSC=S
methylsulfanylmethanethioaldehyde
CSc1ccc(C2CCC(SCCF)C2)cc1
1-[3-(2-fluoroethylsulfanyl)cyclopentyl]-4-methylsulfanylbenzene
CCCCCCCCC(CCl)(CSC)c1ccc(Cl)cc1
1-chloro-4-[1-chloro-2-(methylsulfanylmethyl)decan-2-yl]benzene
O=C(CF)NBr
N-bromo-2-fluoroacetamide