SMILES
stringlengths
2
756
IUPAC
stringlengths
6
1.26k
CC(O)NN
1-hydrazinylethanol
C=CC(O)F
1-fluoroprop-2-en-1-ol
CC(Br)C#N
2-bromopropanenitrile
Cc1cccc(NF)c1N
1-N-fluoro-3-methylbenzene-1,2-diamine
COC=CF
1-fluoro-2-methoxyethene
OCCOF
2-hydroxyethylhypofluorite
O=CCNS
2-(sulfanylamino)acetaldehyde
C=COCS
ethenoxymethanethiol
Cn1cc(-c2cn3cc(CS)ccc3n2)c(CCCCS)n1
4-[1-methyl-4-[6-(sulfanylmethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-3-yl]butane-1-thiol
CCCCCCCCCOC(F)(F)OOC
1-[difluoro(methylperoxy)methoxy]nonane
Fc1ccc(COC(F)(F)F)cc1
1-fluoro-4-(trifluoromethoxymethyl)benzene
Cc1cccc(NN)c1
(3-methylphenyl)hydrazine
CC(C)(N)F
2-fluoropropan-2-amine-
CN=CCC#N
3-methyliminopropanenitrile
N#CNC#CF
2-fluoroethynylcyanamide
CC(C)N(C)C(=O)Cn1c(C2CC2)nc(CS)cc1=O
2-[2-cyclopropyl-6-oxo-4-(sulfanylmethyl)pyrimidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CC(Cl)c1ccc(N(C)Cc2cscn2)cc1
4-(1-chloroethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CSc1ccc(NN)cc1
(4-methylsulfanylphenyl)hydrazine
CCC(C)(O)C#Cc1ccccc1C#N
2-(3-hydroxy-3-methylpent-1-ynyl)benzonitrile
C=CC1(F)CCC(C)CC1S
2-ethenyl-2-fluoro-5-methylcyclohexane-1-thiol
FC(F)CCCl
1-chloro-3,3-difluoropropane
C#CSCS
ethynylsulfanylmethanethiol
N#CSN(Cl)C=N
[chloro(methanimidoyl)amino]thiocyanate
N#CCSC#N
cyanomethylthiocyanate
C=COC1CC1
ethenoxycyclopropane
CCC(C)(C)CCN(F)C(C)(C)C(C)C
N-fluoro-N-(2,3-dimethylbutan-2-yl)-3,3-dimethylpentan-1-amine
CNCC(N)CCBr
4-bromo-1-N-methylbutane-1,2-diamine
CC(CF)c1ccc(CS)cc1
[4-(1-fluoropropan-2-yl)phenyl]methanethiol
FCNc1ccccc1
N-(fluoromethyl)aniline
CCCC(=O)OC(C)OC
1-methoxyethylbutanoate
SCC1CC1
cyclopropylmethanethiol
OC(F)OBr
[fluoro(hydroxy)methyl]hypobromite
CCOCOCBr
bromo(ethoxymethoxy)methane
C#CCCl
1-chloroprop-2-yne
CNC(O)c1cnoc1CO
[5-(hydroxymethyl)-1,2-oxazol-4-yl]-(methylamino)methanol
C=COc1ccccc1
ethenoxybenzene
COc1ccc(C#N)cc1C
4-methoxy-3-methylbenzonitrile
CCNC(=NCF)NSC
1-ethyl-2-(fluoromethyl)-3-methylsulfanylguanidine
CCCC=NS
N-butylidenethiohydroxylamine
OCSSO
hydroxydisulfanylmethanol
CCN=O
1-nitrosoethane
NNCC(F)F
2,2-difluoroethylhydrazine
OCN=CCNO
2-(hydroxyamino)ethylideneaminomethanol
CC(F)(Cl)Br
1-bromo-1-chloro-1-fluoroethane
NNC=CCl
2-chloroethenylhydrazine
O=CSS
disulfanylformaldehyde
CN=CC=O
2-methyliminoacetaldehyde
NNC(SF)c1cccc(F)c1
[hydrazinyl-(3-fluorophenyl)methyl]thiohypofluorite
C#CSS
1-(disulfanyl)ethyne
COc1cc(C)ccc1OC(C)C
2-methoxy-4-methyl-1-propan-2-yloxybenzene
CC#COc1cc(NCO)cnc1OC
[(6-methoxy-5-prop-1-ynoxypyridin-3-yl)amino]methanol
CC=CN=O
1-nitrosoprop-1-ene
C#CSCC
1-ethylsulfanylethyne
CCNCCCl
N-(2-chloroethyl)ethanamine
NC(S)SCl
[amino(sulfanyl)methyl]thiohypochlorite
SC(S)Cl
chloro(sulfanyl)methanethiol
Cc1ccc(O)c(O)c1
4-methylbenzene-1,2-diol
C[N+](=O)F
fluoro-methyl-oxoazanium
CCOC=O
ethylformate
CSC=S
methylsulfanylmethanethioaldehyde
S=CNS
N-methanethioylthiohydroxylamine
CON=COBr
methoxyiminomethylhypobromite
FCCN(Br)Br
N,N-dibromo-2-fluoroethanamine
CC(C)NC(=O)N(NF)C1CC1
1-cyclopropyl-1-(fluoroamino)-3-propan-2-ylurea
N#CNC#CS
2-sulfanylethynylcyanamide
N#CCNF
2-(fluoroamino)acetonitrile
CC=NO
N-ethylidenehydroxylamine
OCSCCF
2-fluoroethylsulfanylmethanol
C=CCOC(=O)CSS
prop-2-enyl2-(disulfanyl)acetate
NNc1ncc(Br)cc1Br
(3,5-dibromopyridin-2-yl)hydrazine
NNCCl
chloromethylhydrazine
CCCOc1ccccc1
propoxybenzene
OCNOO
hydroperoxyaminomethanol
C#CSCCSCCF
1-(2-fluoroethylsulfanyl)-2-ethynylsulfanylethane
COc1cc(CCN(C(=O)NC(C)C)C2CC2)cc(C)c1C
1-cyclopropyl-1-[2-(3-methoxy-4,5-dimethylphenyl)ethyl]-3-propan-2-ylurea
CN(Br)CCF
N-bromo-2-fluoro-N-methylethanamine
FC#CN(F)CCS
2-[fluoro(2-fluoroethynyl)amino]ethanethiol
C#COCl
ethynylhypochlorite
OC(F)Cl
chloro(fluoro)methanol
CSCNO
N-(methylsulfanylmethyl)hydroxylamine
CC(N)NN
1-hydrazinylethanamine
CNNF
1-fluoro-2-methylhydrazine
CC(N)=S
ethanethioamide
O=C(CSc1ncn(-c2cccc(F)c2)n1)Nc1ncc(Br)cc1Br
N-(3,5-dibromopyridin-2-yl)-2-[[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
C=COCC
1-ethoxyethene
CC(C)(C)N=O
2-methyl-2-nitrosopropane
CC(F)CNC#N
2-fluoropropylcyanamide
OC=NO
N-hydroxymethanimidicacid
Cc1nc(SCO)no1
[(5-methyl-1,2,4-oxadiazol-3-yl)sulfanyl]methanol
CCCc1ccccc1C#CC(C)(C)C
1-(3,3-dimethylbut-1-ynyl)-2-propylbenzene
CSSCC(C)Cl
2-chloro-1-(methyldisulfanyl)propane
CNCC(C)F
2-fluoro-N-methylpropan-1-amine
N#CCSO
2-hydroxysulfanylacetonitrile
CN(F)S
N-fluoro-N-methylthiohydroxylamine
CC1CC1(C)N
1,2-dimethylcyclopropan-1-amine-
FSC(F)(F)c1ccccc1
[difluoro(phenyl)methyl]thiohypofluorite
ONC=S
N-hydroxymethanethioamide
FCN=CS
N-(fluoromethyl)methanimidothioicacid
CC/C=C/Cl
(E)-1-chlorobut-1-ene
C=CSCl
ethenylthiohypochlorite