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PA0

PA0
Name:	Phenylarsine oxide
Formula:	C6 H5 As O
SMILES:	O=[As]c1ccccc1
InChi:	InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H
Synonyms:	oxo(phenyl)arsane
Definition date:	2008-08-13
Last modified:	2021-03-01
Identifier:	oxo(phenyl)arsane

PA6

PA6
Name:	(R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE
Formula:	C9 H17 O8 P
SMILES:	O=P(O)(OCC(OC=O)COC(=O)CCCC)O
InChi:	InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2006-11-07
Last modified:	2021-03-01
Identifier:	(2R)-2-(formyloxy)-3-(phosphonooxy)propyl pentanoate

TBH

TBH
Name:	5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID
Formula:	C31 H47 N3 O9
SMILES:	O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC
InChi:	InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1
Synonyms:	PNU177836
Definition date:	2001-06-26
Last modified:	2021-03-01
Identifier:	5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid

POW

POW
Name:	Diperodon
Formula:	C22 H27 N3 O4
SMILES:	O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3
InChi:	InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m1/s1
Synonyms:	[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate
Definition date:	2020-04-27
Last modified:	2021-03-01
Release date:	2021-01-13
Identifier:	[(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate

TBL

TBL
Name:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine
Formula:	C10 H13 N O5 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C
InChi:	InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
Synonyms:	(R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Definition date:	2008-09-18
Last modified:	2021-03-01
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine

B4Q

B4Q
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine
Formula:	C25 H27 N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C
InChi:	InChI=1S/C25H27N3/c1-3-20-8-4-5-9-22(20)21-13-12-19(16-18(21)2)17-26-15-14-25-27-23-10-6-7-11-24(23)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)
Synonyms:	CAM4739
Definition date:	2017-09-09
Last modified:	2021-03-01
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine

W54

W54
Name:	5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-OXAZOLY)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:	C18 H20 Cl2 N2 O3
SMILES:	Clc3c(OCCCCCc1onc(c1)C)c(Cl)cc(C2=NCCO2)c3
InChi:	InChI=1S/C18H20Cl2N2O3/c1-12-9-14(25-22-12)5-3-2-4-7-23-17-15(19)10-13(11-16(17)20)18-21-6-8-24-18/h9-11H,2-8H2,1H3
Synonyms:	WIN54954
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-{5-[2,6-dichloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole

TBQ

TBQ
Name:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Formula:	C16 H22 Cl N3 O
SMILES:	CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChi:	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1
Synonyms:	(R)-tebuconazole
Definition date:	2015-10-20
Last modified:	2021-03-01
Release date:	2016-02-10
Identifier:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

W56

W56
Name:	5-(5-(4-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:	C19 H24 N2 O3
SMILES:	N1=C(OCC1C)c3ccc(OCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C19H24N2O3/c1-14-12-18(24-21-14)6-4-3-5-11-22-17-9-7-16(8-10-17)19-20-15(2)13-23-19/h7-10,12,15H,3-6,11,13H2,1-2H3/t15-/m0/s1
Synonyms:	COMPOUND V(S)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-methyl-5-(5-{4-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}pentyl)isoxazole

TBR

TBR
Name:	HEXATANTALUM DODECABROMIDE
Formula:	Br12 Ta6
SMILES:	Br\|1[Ta]\|2\|3\|4\|5\|Br[Ta]\|6\|7\|89%10\|2\|Br[Ta]\|%11\|%12\|%13\|%14\|1\|3\|6Br\|[Ta]\|%15\|%16\|%17\|7\|%11(Br\|[Ta]\|%18\|4\|%12\|%15(Br\|%13)(Br\|%14)\|Br[Ta]\|5\|8\|%16\|%18(\|Br9)(Br)Br\|%17)\|Br%10
InChi:	InChI=1S/12BrH.6Ta/h12*1H
Synonyms:	DODECABROMOHEXATANTALUM
Definition date:	1999-11-12
Last modified:	2021-03-01

SIP

SIP
Name:	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C23 H26 F N3 O2
SMILES:	Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4
InChi:	InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
Synonyms:	Spiperone
Definition date:	2017-08-08
Last modified:	2021-03-01
Release date:	2020-12-30
Identifier:	8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

QZM

QZM
Name:	2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide
Formula:	C25 H28 N4 O7
SMILES:	c1(ccc(cc1OC)CCNC(=O)C3=C(C(=O)NC(C(C)(C)NC(=O)OCc2ccccc2)=N3)O)O
InChi:	InChI=1S/C25H28N4O7/c1-25(2,29-24(34)36-14-16-7-5-4-6-8-16)23-27-19(20(31)22(33)28-23)21(32)26-12-11-15-9-10-17(30)18(13-15)35-3/h4-10,13,30-31H,11-12,14H2,1-3H3,(H,26,32)(H,29,34)(H,27,28,33)
Synonyms:	SJ000986192
Definition date:	2020-01-17
Last modified:	2021-03-01
Release date:	2021-02-10
Identifier:	benzyl [2-(5-hydroxy-4-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamoyl}-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

W59

W59
Name:	5-(7-(5-HYDRO-4-ETHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE
Formula:	C22 H30 N2 O3
SMILES:	N1=C(OCC1CC)c3ccc(OCCCCCCCc2onc(c2)C)cc3
InChi:	InChI=1S/C22H30N2O3/c1-3-19-16-26-22(23-19)18-10-12-20(13-11-18)25-14-8-6-4-5-7-9-21-15-17(2)24-27-21/h10-13,15,19H,3-9,14,16H2,1-2H3/t19-/m0/s1
Synonyms:	COMPOUND III(S)
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	5-(7-{4-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)-3-methylisoxazole

SIS

SIS
Name:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside
Formula:	C19 H37 N5 O7
SMILES:	O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C
InChi:	InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1
Synonyms:	Sisomicin
Definition date:	2012-06-12
Last modified:	2021-03-01
Identifier:	(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside

QZP

QZP
Name:	4-(2-methylpropyl)benzoic acid
Formula:	C11 H14 O2
SMILES:	c1c(CC(C)C)ccc(C(O)=O)c1
InChi:	InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
Synonyms:	4-isobutylbenzoic acid
Definition date:	2020-01-20
Last modified:	2021-03-01
Release date:	2021-01-20
Identifier:	4-(2-methylpropyl)benzoic acid

TBY

TBY
Name:	tributylstannanyl
Formula:	C12 H27 Sn
SMILES:	[Sn](CCCC)(CCCC)CCCC
InChi:	InChI=1S/3C4H9.Sn.H/c3*1-3-4-2
Synonyms:	tributyltin
Definition date:	2008-09-05
Last modified:	2021-03-01
Identifier:	tributylstannane

XUG

XUG
Name:	2'-SE-METHYL-2'-SELENOGUANOSINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:	C11 H16 N5 O7 P Se
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3[Se]C)COP(=O)(O)O
InChi:	InChI=1S/C11H16N5O7PSe/c1-25-7-6(17)4(2-22-24(19,20)21)23-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Synonyms:	(D)-2'-METHYLSELENYL-2'-DEOXYGUANOSINE-5'-PHOSPHATE
Definition date:	2006-05-18
Last modified:	2021-03-01
Identifier:	2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)

RPR

RPR
Name:	3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER
Formula:	C27 H30 N4 O3
SMILES:	O=C(OC)C(Cc1cc(C(=[N@H])N)ccc1)C(NC(=O)c3ccc(c2cccc(c2)CN)cc3)C
InChi:	InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
Synonyms:	RPR128515
Definition date:	2000-05-22
Last modified:	2021-03-01
Identifier:	methyl (2R,3R)-3-({[3'-(aminomethyl)biphenyl-4-yl]carbonyl}amino)-2-(3-carbamimidoylbenzyl)butanoate

WM2

WM2
Name:	cyclohexanecarboxamide
Formula:	C7 H13 N O
SMILES:	O=C(N)C1CCCCC1
InChi:	InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
Synonyms:	Hexahydrobenzamide
Definition date:	2013-10-16
Last modified:	2021-03-01
Release date:	2015-08-12
Identifier:	cyclohexanecarboxamide

X1E

X1E
Name:	(2S,5R,6R)-6-AMINO-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
Formula:	C8 H12 N2 O3 S
SMILES:	O=C(O)C1N2C(=O)C(N)C2SC1(C)C
InChi:	InChI=1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
Synonyms:	6-AMINOPENICILLANIC ACID
Definition date:	2009-12-23
Last modified:	2021-03-01
Identifier:	(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

4S7

4S7
Name:	1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium
Formula:	C21 H45 N3 O3 P
SMILES:	C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)CN=[N+]=N
InChi:	InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1
Synonyms:	octadecyl hydrogen (R)-(3-azidopropyl)phosphonate
Definition date:	2015-05-20
Last modified:	2021-03-01
Release date:	2016-05-25
Identifier:	1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium

VCA

VCA
Name:	VACCENIC ACID
Formula:	C18 H34 O2
SMILES:	O=C(O)CCCCCCCCCC=C/CCCCCC
InChi:	InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
Synonyms:	(11E)-OCTADEC-11-ENOIC ACID
Definition date:	2005-07-20
Last modified:	2021-03-01
Identifier:	(11Z)-octadec-11-enoic acid

R07

R07
Name:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
Formula:	C24 H20 F3 N3 O3 S
SMILES:	C1(=O)C=CN5C(=C1O)C(=O)N(CN5C3c2ccccc2SCc4c3cccc4)C(C(F)(F)F)C
InChi:	InChI=1S/C24H20F3N3O3S/c1-14(24(25,26)27)28-13-30(29-11-10-18(31)22(32)21(29)23(28)33)20-16-7-3-2-6-15(16)12-34-19-9-5-4-8-17(19)20/h2-11,14,20,32H,12-13H2,1H3/t14-,20+/m1/s1
Synonyms:	RO-7
Definition date:	2017-05-11
Last modified:	2021-03-01
Release date:	2018-04-11
Identifier:	1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione

TCE

TCE
Name:	3,3',3''-phosphanetriyltripropanoic acid
Formula:	C9 H15 O6 P
SMILES:	O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Synonyms:	3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Definition date:	2009-01-12
Last modified:	2021-03-01
Identifier:	3,3',3''-phosphanetriyltripropanoic acid

TCF

TCF
Name:	3-(4-BROMOPHENYL)PROPANAMIDE
Formula:	C9 H10 Br N O
SMILES:	Brc1ccc(cc1)CCC(=O)N
InChi:	InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
Synonyms:	PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE
Definition date:	2010-03-31
Last modified:	2021-03-01
Identifier:	3-(4-bromophenyl)propanamide

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