SMILES
stringlengths
2
751
IUPAC
stringlengths
6
1.43k
CC(C=COCS)NF
[3-(fluoroamino)but-1-enoxy]methanethiol
OC=NI
N-iodomethanimidicacid
CCN(Cl)CF
N-chloro-N-(fluoromethyl)ethanamine
N=COF
methanimidoylhypofluorite
FC(F)(F)OCI
trifluoro(iodomethoxy)methane
N#CCCN(CCF)C1CCCC1
3-[cyclopentyl(2-fluoroethyl)amino]propanenitrile
CCC(F)Cl
1-chloro-1-fluoropropane
CCCCCCCC
octane
FC=NCCCF
fluoroN-(3-fluoropropyl)methanimine
FCCOCCl
1-(chloromethoxy)-2-fluoroethane
CC=CCF
1-fluorobut-2-ene
CCCCC(O)(Br)C(=O)C1CCCC(C)C1
2-bromo-2-hydroxy-1-(3-methylcyclohexyl)hexan-1-one
C#N
formonitrile
N=NNCO
diazenylaminomethanol
C#CN(C)I
N-ethynyl-N-iodomethanamine
CCCCCCN(C)CCC
N-methyl-N-propylhexan-1-amine
SC1=CC=CCC1
cyclohexa-1,3-diene-1-thiol
SC=CCCCl
4-chlorobut-1-ene-1-thiol
CC(C)C=CON
O-(3-methylbut-1-enyl)hydroxylamine
CNCC#N
2-(methylamino)acetonitrile
NNc1ccc(Br)c(CF)c1
[4-bromo-3-(fluoromethyl)phenyl]hydrazine
Cc1ccc(Br)cc1CF
4-bromo-2-(fluoromethyl)-1-methylbenzene
NC=O
formamide
CC(CF)C(=O)O
3-fluoro-2-methylpropanoicacid
CC=NCCOCCC(C)C
N-[2-(3-methylbutoxy)ethyl]ethanimine
FOC(Cl)(Cl)Cl
trichloromethylhypofluorite
CC1(C)CC1(C)N
1,2,2-trimethylcyclopropan-1-amine
CCNC(C)=O
N-ethylacetamide
N#COCCF
2-fluoroethylcyanate
FCCCC(I)CS
5-fluoro-2-iodopentane-1-thiol
CC1CCC(C(C)C)C1
1-methyl-3-propan-2-ylcyclopentane
ON=CS
N-hydroxymethanimidothioicacid
CCSCN
ethylsulfanylmethanamine
CNC1(O)CN(F)C1
1-fluoro-3-(methylamino)azetidin-3-ol
CN(S)SCF
N-(fluoromethylsulfanyl)-N-methylthiohydroxylamine
NN(I)CS
[amino(iodo)amino]methanethiol
CCC1CCCCC1
ethylcyclohexane
SNC1(S)CCCCN1SS
1-(disulfanyl)-2-(sulfanylamino)piperidine-2-thiol
ClOCC1CCCC1
cyclopentylmethylhypochlorite
O=C(I)OC(Cl)(Cl)Cl
trichloromethylcarboniodidate
CC1(NN)CN(F)C1
(1-fluoro-3-methylazetidin-3-yl)hydrazine
CCN(C)CS
[ethyl(methyl)amino]methanethiol
FC(S)S
fluoro(sulfanyl)methanethiol
CC(F)(I)CNN
(2-fluoro-2-iodopropyl)hydrazine
CNC(C)C1CCC1SC
N-methyl-1-(2-methylsulfanylcyclobutyl)ethanamine
OC(F)COI
(2-fluoro-2-hydroxyethyl)hypoiodite
CCC(C)CCF
1-fluoro-3-methylpentane
CCNC(CS)CCS
2-(ethylamino)-4-sulfanylbutane-1-thiol
CC(S)NC(=O)CN(C)C(N)C(F)Br
2-[(1-amino-2-bromo-2-fluoroethyl)-methylamino]-N-(1-sulfanylethyl)acetamide
IC=NI
iodoN-iodomethanimine
CSSC(C)C
2-(methyldisulfanyl)propane
N=C1CC=CN1C(F)CI
1-(1-fluoro-2-iodoethyl)-3H-pyrrol-2-imine
FCNCS
fluoromethylaminomethanethiol
O=COI
formylhypoiodite
CC(O)Br
1-bromoethanol
CC(N=CF)C(=O)CF
N-(4-fluoro-3-oxobutan-2-yl)methanimidoylfluoride
FC=CSF
2-fluoroethenylthiohypofluorite
CCNNC
1-ethyl-2-methylhydrazine
O=CCCF
3-fluoropropanal
CCCCN(CF)CCl
N-(chloromethyl)-N-(fluoromethyl)butan-1-amine
N#CSCS
sulfanylmethylsulfanylformonitrile
OC=NCS
N-(sulfanylmethyl)methanimidicacid
CCN(CC)CCC=S
3-(diethylamino)propanethioaldehyde
CCCN(CF)CS
[fluoromethyl(propyl)amino]methanethiol
CC(C)C(=O)O
2-methylpropanoicacid
CN(NN)C(=O)c1sccc1Br
3-bromo-N-hydrazinyl-N-methylthiophene-2-carboxamide
CSN(F)NS
N-[fluoro(methylsulfanyl)amino]thiohydroxylamine
N#CCC=N
3-iminopropanenitrile
ONCNCS
hydroxyaminomethylaminomethanethiol
SNNBr
bromoaminothiohydroxylamine
CCCCCCS
hexane-1-thiol
CSN(C)NS
1-methyl-1-methylsulfanyl-2-sulfanylhydrazine
N#CNNI
iodoaminocyanamide
N#CCNS
2-(sulfanylamino)acetonitrile
CCC1CCCC(C)(O)CC1
4-ethyl-1-methylcycloheptan-1-ol
CC(C)CC=O
3-methylbutanal
CSC(C)C(=O)CF
1-fluoro-3-methylsulfanylbutan-2-one
NCCNC(=O)NCF
1-(2-aminoethyl)-3-(fluoromethyl)urea
OCCNS
2-(sulfanylamino)ethanol
CC(F)c1ccc(S)cc1
4-(1-fluoroethyl)benzenethiol
FC(S)c1ccc(Cl)cc1
(4-chlorophenyl)-fluoromethanethiol
N#CCCCSN(O)F
4-[fluoro(hydroxy)amino]sulfanylbutanenitrile
CCCCCN(F)C(C)c1ccccc1
N-fluoro-N-(1-phenylethyl)pentan-1-amine
O=C(O)C1=C(Cl)CCC=C1NCC1CCCO1
2-chloro-6-(oxolan-2-ylmethylamino)cyclohexa-1,5-diene-1-carboxylicacid
COP(C)CC(C)CN=CO
N-[3-[methoxy(methyl)phosphanyl]-2-methylpropyl]methanimidicacid
CSNCS
methylsulfanylaminomethanethiol
C=C(S)NCO
1-(hydroxymethylamino)ethenethiol
CNCCCOc1ccccc1
N-methyl-3-phenoxypropan-1-amine
COC(=O)CCN
methyl3-aminopropanoate
CN(I)C#N
iodo(methyl)cyanamide
N=NSS
disulfanyldiazene
CCCC(CC)NS
N-hexan-3-ylthiohydroxylamine
FC(Br)OI
[bromo(fluoro)methyl]hypoiodite
N=NNO
hydroxyaminodiazene
CCCN(F)CCC
N-fluoro-N-propylpropan-1-amine
N#CCCSO
3-hydroxysulfanylpropanenitrile
O=NNCS
nitrosoaminomethanethiol
O=C(CS)NS
N-sulfanyl-2-sulfanylacetamide
N#CNCI
iodomethylcyanamide
OCCCCl
3-chloropropan-1-ol-