ATB | Existing Molecules

Selected Molecules (1-100 of 5,191)

Molid	Formula	Iupac	Common Name	Chembl Id	Clinical Phase	Atoms	Charge	Curation	Visibility
1651587	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1651585	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1651584	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1636756	C₄H₁₀S	butane-1-thiol	butanethiol	3188256		15	0	ATB	Public
1635745	C₁₄H₁₀	ANTHRACENE	Anthracene	333179		24	0	ATB	Public
1635669	C₈H₁₈	2,2,4-Trimethylpentane ...	2,2,4-Trimethylpentane ...	1797261		26	0	ATB	Public
1634446	C₁₀H₁₄NO₅PS	-	Parathion	261919		32	0	ATB	Public
1634336	C₃H₈O	Propan-2-ol	Isopropanol	582		12	0	ATB	Public
1633841	C₁₄H₁₁Cl₂NO₂	2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid ...	Diclofenac	139		30	0	ATB	Public
1633091	C₈H₁₈	3-Methylheptane	-			26	0	ATB	Public
1633090	C₈H₁₈	3-Methylheptane	-			26	0	ATB	Public
1631479	CHCl₃	Chloroform	Chloroform	44618		5	0	ATB	Public
1631150	C₂H₆	ETHANE	Ethane	135626		8	0	ATB	Public
1628123	C₃H₆O₂	1,3-DIOXOLANE	1,3-Dioxolane	3187281		11	0	ATB	Public
1628122	C₃H₆O₂	1,3-DIOXOLANE	1,3-Dioxolane	3187281		11	0	ATB	Public
1627861	C₁₃H₁₈O₂	(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid ...	(S)-(+)-Ibuprofen	175		33	0	ATB	Public
1627474	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1627370	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1627358	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1627330	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1627317	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1627267	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1627239	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1627228	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1627040	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1627029	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1626990	HO	oxidane	HYDROXY	1098659		2	-1	ATB	Public
1626927	C₉H₉Cl₂NO	N-(3,4-Dichlorophenyl)propanamide ...	Propanil	1222498		22	0	ATB	Public
1626908	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1626639	C₇H₁₆	HEPTANE	Heptane	134658		23	0	ATB	Public
1626638	C₇H₁₄	Cycloheptane	Cycloheptane	453194		21	0	ATB	Public
1623751	C₄H₇O₂	butanoic acid	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
1623750	C₄H₇O₂	butanoic acid	1-λ¹-oxidanylbutan-1-one ...	14227	4	13	-1	ATB	Public
1623522	CH₂Cl₂	Dichloromethane	methylenechloride	45967		5	0	ATB	Public
1623494	C₁₄H₁₁Cl₂NO₂	2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid ...	Diclofenac	139		30	0	ATB	Public
1622100	C₆H₆	BENZENE	Benzene	277500		12	0	ATB	Public
1622056	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1622045	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1620778	NO₃	Nitric acid	Nitrooxidanyl	1352		4	-1	ATB	Public
1620516	H₃N	λ¹-azane azane	Ammonia	1160819		4	0	ATB	Public
1620367	C₁₀H₁₉O₆PS₂	-	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1616638	C₄H₁₀O	Butan-1-ol	n-butanol	14245		15	0	ATB	Public
1616632	H₂O₂	hydrogen peroxide	Hydrogenperoxide	71595		4	0	ATB	Public
1613303	C₁₀H₁₂O₃	Propyl 4-hydroxybenzoate ...	Propylparaben	194014		25	0	ATB	Public
1613301	C₉H₁₀O₃	Ethyl 4-hydroxybenzoate ...	Ethylparaben	15841		22	0	ATB	Public
1613219	C₈H₈O₃	Methyl 4-hydroxybenzoate ...	Methylparaben	325372		19	0	ATB	Public
1612550	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1612547	C₆H₆O₂	Benzene-1,4-diol	Hydroquinone	537	4	14	0	ATB	Public
1612545	C₁₃H₁₆F₃N₃O₄	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline ...	trifluralin	31970		39	0	ATB	Public
1612542	C₁₂H₁₁NO₂	naphthalen-1-yl N-methylcarbamate ...	Carbaryl	46917		26	0	ATB	Public
1612539	C₁₀H₁₉O₆PS₂	-	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1612538	C₁₁H₁₄O₃	Butyl 4-hydroxybenzoate ...	Butylparaben	459008		28	0	ATB	Public
1612527	C₁₂H₂₁N₂O₃PS	-	Diazinon	388560		40	0	ATB	Public
1612523	C₇H₁₂ClN₅	6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine ...	-	1605837		25	0	ATB	Public
1612522	C₉H₈Cl₃NO₂S	(3aR,7aS)-2-(trichlo ...	(3aR,7aS)-2-[(Trichl ...	388676		24	0	ATB	Public
1612490	C₉H₁₂	-	Cumene	1398949		21	0	ATB	Public
1612485	C₁₀H₁₄NO₅PS	-	Parathion	261919		32	0	ATB	Public
1612482	C₄H₇Cl₂O₄P	2,2-Dichloroethenyl ...	Algard	167911		18	0	ATB	Public
1612180	CH₂O	FORMALDEHYDE	Formaldehyde	1255		4	0	ATB	Public
1611796	C₆H₅NO₂	Nitrobenzene N-oxido ...	Nitrobenzen	15750		14	0	ATB	Public
1610679	C₁₄H₁₁Cl₂NO₂	2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid ...	Diclofenac	139		30	0	ATB	Public
1610613	C₁₄H₂₀ClNO₂	2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide ...	Alachlor	1414154		38	0	ATB	Public
1610602	C₁₃H₁₆F₃N₃O₄	2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline ...	trifluralin	31970		39	0	ATB	Public
1610600	C₁₂H₁₁NO₂	naphthalen-1-yl N-methylcarbamate ...	Carbaryl	46917		26	0	ATB	Public
1610570	C₅H₈	2-methylbuta-1,3-diene ...	Isoprene	1566132		13	0	ATB	Public
1610562	C₁₀H₁₄NO₅PS	-	Parathion	261919		32	0	ATB	Public
1610561	C₉H₁₂	-	Cumene	1398949		21	0	ATB	Public
1610555	C₂HCl₃	1,1,2-trichloroethene ...	Trichloroethylene	279816	1	6	0	ATB	Public
1610553	C₄H₇Cl₂O₄P	2,2-Dichloroethenyl ...	Algard	167911		18	0	ATB	Public
1610212	C₁₂H₂₁N₂O₃PS	-	Diazinon	388560		40	0	ATB	Public
1610207	C₉H₈Cl₃NO₂S	(3aR,7aS)-2-(trichlo ...	(3aR,7aS)-2-[(Trichl ...	388676		24	0	ATB	Public
1610206	C₇H₁₂ClN₅	6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine ...	-	1605837		25	0	ATB	Public
1608928	C₉H₁₂N₂O	1,1-Dimethyl-3-phenylurea ...	N,N-Dimethyl-N-phenylurea ...	1492698		24	0	ATB	Public
1607749	C₁₂H₂₆	Dodecane	Dodecane	30959		38	0	ATB	Public
1594711	C₂H₈N₂	ethane-1,2-diamine ethyne-1,2-diamine Oxalonitrile ...	Ethylenediamine	816		12	0	ATB	Public
1592143	C₇H₁₆	HEPTANE	Heptane	134658		23	0	ATB	Public
1592141	C₆H₁₄	Hexane	Hexane	15939		20	0	ATB	Public
1592070	H₂O	oxidane	Water	1098659		3	0	ATB	Public
1591949	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1591937	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1591931	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1579244	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1579054	C₆H₆	BENZENE	Benzene	277500		12	0	ATB	Public
1578458	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1578166	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1578153	C₇H₁₄	Cycloheptane	Cycloheptane	453194		21	0	ATB	Public
1576738	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1576670	C₆H₁₃NO	Hexanamide	n-Hexanamide	1523958		21	0	ATB	Public
1576362	C₆H₆	BENZENE	Benzene	277500		12	0	ATB	Public
1576360	C₆H₆	BENZENE	Benzene	277500		12	0	ATB	Public
1576358	C₆H₆	BENZENE	Benzene	277500		12	0	ATB	Public
1575968	C₁₀H₁₉O₆PS₂	-	Diethyl(2S)-2-[(dimethoxyphosphorothioyl)sulfanyl]succinate ...		3	38	0	ATB	Public
1574373	C₂H₈N₂	ethane-1,2-diamine ethyne-1,2-diamine Oxalonitrile ...	Ethylenediamine	816		12	0	ATB	Public
1572925	C₆H₁₂	Cyclohexane	Cyclohexane	15980		18	0	ATB	Public
1571340	C₂H₃F₃O	2,2,2-TRIFLUOROETHANOL ...	2,2,2-Trifluoroethanol ...	116675		9	0	ATB	Public
1571122	C₁₅H₁₅ClN₄O₆S	-	-	1231791		42	0	ATB	Public
1569504	C₁₃H₁₈O₂	(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid ...	(R)-(-)-Ibuprofen	427526		33	0	ATB	Public
1569470	C₂H₂	Acetylene	Acetylene	116336		4	0	ATB	Public
1568924	C₇H₁₆	HEPTANE	Heptane	134658		23	0	ATB	Public
1566277	C₂H₆O	ethanol	Ethanol	545		9	0	ATB	Public