SMILES
stringlengths
2
1.03k
IUPAC
stringlengths
6
1.64k
C=C(C)CF
3-fluoro-2-methylprop-1-ene
COOCC=S
2-methylperoxyethanethial
Cc1ccc(Br)cc1
1-bromo-4-methylbenzene
N=CC1OC1[C@H](N)CCO
(3R)-3-amino-3-(3-methanimidoyloxiran-2-yl)propan-1-ol
CCN(C)N=O
N-ethyl-N-methylnitrousamide
CSSC=CF
1-fluoro-2-(methyldisulfanyl)ethene
O=C1CCC(F)O1
5-fluorooxolan-2-one
CON(CF)CCI
N-(fluoromethyl)-2-iodo-N-methoxyethanamine
SCCSS
2-(disulfanyl)ethanethiol
CC#CCI
1-iodobut-2-yne
C=CC=S
prop-2-enethial
C#CNC1(C)CCCC1
N-ethynyl-1-methylcyclopentan-1-amine
C=NSO
N-hydroxysulfanylmethanimine
CNC(C)OC
1-methoxy-N-methylethanamine
CC(C)=NCO
(propan-2-ylideneamino)methanol
CSC1CC1
methylsulfanylcyclopropane
CC(N)CCI
4-iodobutan-2-amine
CSC=NI
methylN-iodomethanimidothioate
FCSCS
fluoromethylsulfanylmethanethiol
S=CSCI
iodomethylsulfanylmethanethione
ON=CC=CF
N-(3-fluoroprop-2-enylidene)hydroxylamine
CCC(F)CS
2-fluorobutane-1-thiol
CC(=O)NCOCF
N-(fluoromethoxymethyl)acetamide
CSSCC=N
2-(methyldisulfanyl)ethanimine
C=C(N)OCF
1-(fluoromethoxy)ethenamine
OCNC#CF
(2-fluoroethynylamino)methanol
C=COC#CF
1-ethenoxy-2-fluoroethyne
SSCC(S)Cl
1-chloro-2-(disulfanyl)ethanethiol
CC(N)CS
2-aminopropane-1-thiol
C=NC#N
methylidenecyanamide
CCOCCCI
1-ethoxy-3-iodopropane
NCC(O)O
2-aminoethane-1,1-diol
O=NC#CO
2-nitrosoethynol
OCCOO
2-hydroperoxyethanol
CN(O)Br
N-bromo-N-methylhydroxylamine
C=C(O)C(C)(O)C(C)C=N
5-imino-3,4-dimethylpent-1-ene-2,3-diol
C=C(CNC(C)Cc1ccc(C)cc1)SC
N-[1-(4-methylphenyl)propan-2-yl]-2-methylsulfanylprop-2-en-1-amine
CC#CCO
but-2-yn-1-ol
C=C(O)C(C)(O)I
3-iodobut-1-ene-2,3-diol
FCC(Cl)Cl
1,1-dichloro-2-fluoroethane
CSCCNO
N-(2-methylsulfanylethyl)hydroxylamine
N#CCNCS
2-(sulfanylmethylamino)acetonitrile
CNC(C)O
1-(methylamino)ethanol
COC(I)CI
1,2-diiodo-1-methoxyethane
O=C(O)CCO
3-hydroxypropanoicacid
C=COCC=CF
1-ethenoxy-3-fluoroprop-2-ene
CNCC(O)CI(C)C
1-(dimethyl-λ3-iodanyl)-3-(methylamino)propan-2-ol
CSCC=S
2-methylsulfanylethanethial
Cc1ccc(Cl)cc1CN=O
4-chloro-1-methyl-2-(nitrosomethyl)benzene
N#CNSC#N
thiocyanatocyanamide
OCOCCBr
2-bromoethoxymethanol
CON=CCF
2-fluoro-N-methoxyethanimine
CC(I)CCCC=N
5-iodohexan-1-imine
C=CSC#N
ethenylthiocyanate
O=NNC=CCl
N-(2-chloroethenyl)nitrousamide
CCCCOO
1-hydroperoxybutane
CC=NCO
ethylideneaminomethanol
CN(N)c1ccccc1F
1-(2-fluorophenyl)-1-methylhydrazine
CC(=O)Nc1ncn[nH]1
N-(1H-1,2,4-triazol-5-yl)acetamide
CN(N)c1ccccc1CCl
1-[2-(chloromethyl)phenyl]-1-methylhydrazine
N#CNNC#N
(cyanoamino)cyanamide
C=CN=C
N-ethenylmethanimine
CCCNN=O
N-propylnitrousamide
CC=NC
N-methylethanimine
CC(CF)CC#N
4-fluoro-3-methylbutanenitrile
FC#CSS
1-(disulfanyl)-2-fluoroethyne
C#CC(C)CC
3-methylpent-1-yne
O=c1c(F)c(F)c2ccccc2n1C=CCF
3,4-difluoro-1-(3-fluoroprop-1-enyl)quinolin-2-one
CCC(C)CI(C)F
fluoro-methyl-(2-methylbutyl)-λ3-iodane
CC(N)CCN
butane-1,3-diamine
C#CNCCC
N-ethynylpropan-1-amine
C=NNO
N-(methylideneamino)hydroxylamine
CCC1CCCC1O
2-ethylcyclopentan-1-ol
CSSCC=O
2-(methyldisulfanyl)acetaldehyde
COc1ccc(CNC(C)=O)cc1
N-[(4-methoxyphenyl)methyl]acetamide
CC1C=CCC1CO
(2-methylcyclopent-3-en-1-yl)methanol
O=CNO
N-hydroxyformamide
OCBr
bromomethanol
CNCCNCCl
N'-(chloromethyl)-N-methylethane-1,2-diamine
O=CN=CF
N-formylmethanimidoylfluoride
CC1=CC(Cl)C(C(N)CCO)SC1
3-amino-3-(3-chloro-5-methyl-3,6-dihydro-2H-thiopyran-2-yl)propan-1-ol
NC#CC=S
3-aminoprop-2-ynethial
C=NC(C)=NC1CC=CCN1CCCCCOC
N'-[1-(5-methoxypentyl)-3,6-dihydro-2H-pyridin-2-yl]-N-methylideneethanimidamide
C=C(C)C#N
2-methylprop-2-enenitrile
CSNC(C)N
1-N'-methylsulfanylethane-1,1-diamine
N=CSSC=S
methanimidoyldisulfanylmethanethione
COOC=S
methylperoxymethanethione
N#COC=CF
2-fluoroethenylcyanate
CC(C)(S)SCO
2-sulfanylpropan-2-ylsulfanylmethanol
CC1CC(OCCOO)C1
1-(2-hydroperoxyethoxy)-3-methylcyclobutane
OC1CCN(Cl)CC1
1-chloropiperidin-4-ol
FCSI
fluoromethylthiohypoiodite
S=CSSC=S
methanethioyldisulfanylmethanethione
NCCC=S
3-aminopropanethial
C=C(C)I
2-iodoprop-1-ene
N#CNSCC=O
2-oxoethylsulfanylcyanamide
CSNC=O
N-methylsulfanylformamide
CC(C)CBr
1-bromo-2-methylpropane
CC(S)CN
1-aminopropane-2-thiol
CONCCC=N
N-methoxy-3-iminopropan-1-amine