SMILES
stringlengths
2
996
IUPAC
stringlengths
6
1.68k
O=CNS
N-sulfanylformamide
O=CCCBr
3-bromopropanal
CNC(C)OBr
1-(methylamino)ethylhypobromite
N=NOO
hydroperoxydiazene
CN(C)N
1,1-dimethylhydrazine
COCCc1ccc(C)cc1
1-(2-methoxyethyl)-4-methylbenzene
NOC#CCC(=O)O
4-aminooxybut-3-ynoicacid
COC(C)C=O
2-methoxypropanal
COC(=O)N1CCC(Cn2cncn2)CC1
methyl4-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxylate
N=C(Cc1cnc(-c2ccccc2)cn1)c1ccc(CSOO)cc1
1-[4-(hydroperoxysulfanylmethyl)phenyl]-2-(5-phenylpyrazin-2-yl)ethanimine
COc1cc(OO)ccc1OC(C)C
4-hydroperoxy-2-methoxy-1-propan-2-yloxybenzene
FCCC(Br)CNF
2-bromo-N,4-difluorobutan-1-amine
O=C(CSS)NCc1ccc(-n2cccn2)nc1
2-(disulfanyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]acetamide
CONC(N)=O
methoxyurea
CSNC(N)S
amino(methylsulfanylamino)methanethiol
CCP(=O)(O)OCS
ethyl(sulfanylmethoxy)phosphinicacid
CSSCC(F)Oc1cc(B(C)O)cnc1N
[6-amino-5-[1-fluoro-2-(methyldisulfanyl)ethoxy]pyridin-3-yl]-methylborinicacid
FCSc1ccccc1
fluoromethylsulfanylbenzene
CONC#N
methoxycyanamide
CCC1=CC(C)CC=C1OCCN(C)C
2-(6-ethyl-4-methylcyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylethanamine
CN(C)C#N
dimethylcyanamide
CCCCNC=O
N-butylformamide
OCSCF
fluoromethylsulfanylmethanol
CNC(O)F
fluoro(methylamino)methanol
CCNCCBr
N-(2-bromoethyl)ethanamine
O=CSCF
fluoromethylsulfanylformaldehyde
CB(O)NC=O
N-formyl-methylboronamidicacid
NC(=S)NCF
fluoromethylthiourea
N#Cc1ccccc1SO
2-hydroxysulfanylbenzonitrile
C=CCCF
1-fluorobut-3-ene
OCSCCCCNCCl
4-(chloromethylamino)butylsulfanylmethanol
CC=CC=C(C)COCCSCCC#N
3-[2-(2-methylhexa-2,4-dienoxy)ethylsulfanyl]propanenitrile
CCCN(COC)CSCC
N-(ethylsulfanylmethyl)-N-(methoxymethyl)propan-1-amine
CCC1CC=CN=C1c1nc2ccccc2n1C
2-(3-ethyl-3,4-dihydropyridin-2-yl)-1-methylbenzimidazole
C=C(Br)CF
2-bromo-3-fluoroprop-1-ene
SCc1sc(CN2CCOCC2)nc1COC1CC1
[4-(cyclopropyloxymethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanethiol
C=C(C)SC
2-methylsulfanylprop-1-ene
CCC(C)Br
2-bromobutane
O=CCSCl
2-oxoethylthiohypochlorite
COCCCBr
1-bromo-3-methoxypropane
CCCCN=O
1-nitrosobutane
NC(=S)NCS
sulfanylmethylthiourea
CC(C)ONS
N-propan-2-yloxythiohydroxylamine
NN=CO
hydrazinylidenemethanol-
CON(C)CS
[methoxy(methyl)amino]methanethiol
O=COCOCl
chlorooxymethylformate
CN(C)CCOCl
2-(dimethylamino)ethylhypochlorite
CSC(Br)CNCBr
N-(bromomethyl)-2-bromo-2-methylsulfanylethanamine
CC(=O)Cl
acetylchloride
O=C(F)CCCF
4-fluorobutanoylfluoride
CN(C=O)N=N
N-diazenyl-N-methylformamide
O=C(CCCS)NCl
N-chloro-4-sulfanylbutanamide
CONOC#N
methoxyaminocyanate
N#CSSCl
chlorodisulfanylformonitrile
CCCc1cccc(F)c1
1-fluoro-3-propylbenzene
CCC(C)NF
N-fluorobutan-2-amine
CC=C(CC)CBr
3-(bromomethyl)pent-2-ene
CC1=C(NC(=O)CCl)C(C)CC=C1
2-chloro-N-(2,6-dimethylcyclohexa-1,3-dien-1-yl)acetamide
FOC1=CC=CCC1Cl
(6-chlorocyclohexa-1,3-dien-1-yl)hypofluorite
C#CON(C)C=O
N-ethynoxy-N-methylformamide
CC=NC#N
ethylidenecyanamide
CC(=N)NCCO
N-(2-hydroxyethyl)ethanimidamide
OCC1CCSC1
thiolan-3-ylmethanol
O=CN(F)F
N,N-difluoroformamide
O=C(CCF)SF
3-fluoropropanoylthiohypofluorite
N#CSNN
hydrazinylthiocyanate
CN(S)CCNN
N-(2-hydrazinylethyl)-N-methylthiohydroxylamine
O=CNO
N-hydroxyformamide
C=CC(OC)SO
1-hydroxysulfanyl-1-methoxyprop-2-ene
CSOC#N
methylsulfanylcyanate
N#CCCCO
4-hydroxybutanenitrile
FCC(S)Br
1-bromo-2-fluoroethanethiol
NNCC=O
2-hydrazinylacetaldehyde
C#CCSSC
1-(methyldisulfanyl)prop-2-yne
C#COBr
ethynylhypobromite
CN(C=O)CS
N-methyl-N-(sulfanylmethyl)formamide
CCN(C)CS
[ethyl(methyl)amino]methanethiol
NNC=O
formohydrazide
C=CCN(C)C=O
N-methyl-N-prop-2-enylformamide
COOCC(N)=O
2-methylperoxyacetamide
CCSNCC(=O)CCF
1-(ethylsulfanylamino)-4-fluorobutan-2-one
CSNCO
methylsulfanylaminomethanol
CSSCO
methyldisulfanylmethanol
OCCC1CC1
2-cyclopropylethanol
CCNCCC(O)F
3-(ethylamino)-1-fluoropropan-1-ol-
CC(C)CSCO
2-methylpropylsulfanylmethanol
CCC(Cl)CNCF
2-chloro-N-(fluoromethyl)butan-1-amine
COON[C@H](C)CF
(2R)-1-fluoro-N-methylperoxypropan-2-amine
CCCNOO
N-hydroperoxypropan-1-amine
N#CCS
2-sulfanylacetonitrile
NCNC=O
N-(aminomethyl)formamide
CSN=NF
fluoro(methylsulfanyl)diazene
CCSNCO
ethylsulfanylaminomethanol
COSCCO
2-methoxysulfanylethanol
CONC#CN=CF
N-[2-(methoxyamino)ethynyl]methanimidoylfluoride
CCSCCCOc1cc(F)c(C)c(F)c1
5-(3-ethylsulfanylpropoxy)-1,3-difluoro-2-methylbenzene
C#CSCOC
1-(methoxymethylsulfanyl)ethyne
CSCOC=O
methylsulfanylmethylformate
CCNCC#N
2-(ethylamino)acetonitrile