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O59

O59
Name:	octane-1,8-diyl disulfamate
Formula:	C8 H20 N2 O6 S2
SMILES:	O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N
InChi:	InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
Synonyms:	1,8-Octanediol disulfamate
Definition date:	2009-07-20
Last modified:	2020-06-17
Identifier:	octane-1,8-diyl disulfamate

2FI

2FI
Name:	2'-fluoro-2'-deoxyinosine
Formula:	C10 H12 F N4 O7 P
SMILES:	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O
InChi:	InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1
Synonyms:	9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
Definition date:	2008-04-28
Last modified:	2020-06-17
Identifier:	9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one

2FM

2FM
Name:	S-(DIFLUOROMETHYL)HOMOCYSTEINE
Formula:	C5 H9 F2 N O2 S
SMILES:	FC(F)SCCC(C(=O)O)N
InChi:	InChI=1S/C5H9F2NO2S/c6-5(7)11-2-1-3(8)4(9)10/h3,5H,1-2,8H2,(H,9,10)/t3-/m0/s1
Synonyms:	DIFLUOROMETHIONINE
Definition date:	2003-05-28
Last modified:	2020-06-17
Identifier:	difluoro-L-methionine

O6P

O6P
Name:	Doripenem
Formula:	C15 H24 N4 O6 S2
SMILES:	C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C
InChi:	InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1
Synonyms:	(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza bicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Definition date:	2019-06-12
Last modified:	2020-06-17
Release date:	2019-08-07
Identifier:	(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

O7B

O7B
Name:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one
Formula:	C19 H24 N2 O
SMILES:	O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5
InChi:	InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1
Synonyms:	Palonosetron
Definition date:	2020-02-17
Last modified:	2020-06-17
Release date:	2020-03-04
Identifier:	(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one

9OD

9OD
Name:	(2Z)-9-oxodec-2-enoic acid
Formula:	C10 H16 O3
SMILES:	O=C(C)CCCCC/C=CC(=O)O
InChi:	InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6-
Synonyms:	9-keto-2(E)-decenoic acid
Definition date:	2007-11-27
Last modified:	2020-06-17
Identifier:	(2Z)-9-oxodec-2-enoic acid

O7Z

O7Z
Name:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
Formula:	C17 H18 Cl2 O4
SMILES:	CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
InChi:	InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21)
Synonyms:	indanyloxyacetic acid-94
Definition date:	2020-02-19
Last modified:	2020-06-17
Release date:	2020-03-11
Identifier:	2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid

O8M

O8M
Name:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide
Formula:	C14 H21 N7 O4
SMILES:	O=C(N)CN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O
InChi:	InChI=1S/C14H21N7O4/c1-6-19-9-12(16)17-5-18-13(9)21(6)14-11(24)10(23)7(25-14)3-20(2)4-8(15)22/h5,7,10-11,14,23-24H,3-4H2,1-2H3,(H2,15,22)(H2,16,17,18)/t7-,10-,11-,14-/m1/s1
Synonyms:	5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine
Definition date:	2008-07-31
Last modified:	2020-06-17
Identifier:	2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide

OA7

OA7
Name:	6-hydroxypyridine-3-carboxylic acid
Formula:	C6 H5 N O3
SMILES:	c1cc(O)ncc1C(O)=O
InChi:	InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
Synonyms:	6-hydroxynicotinic acid
Definition date:	2019-06-19
Last modified:	2020-06-17
Release date:	2019-11-06
Identifier:	6-hydroxypyridine-3-carboxylic acid

9RC

9RC
Name:	5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine
Formula:	C16 H18 N3 O10 P
SMILES:	O=C1NC(=O)C(C)=CN1C2CC(O)C(O2)COP(Oc3ccc([N+]([O-])=O)cc3)(=O)O
InChi:	InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1
Synonyms:	PNP-TMP
Definition date:	2018-06-28
Last modified:	2020-06-17
Release date:	2019-03-13
Identifier:	5'-O-[(S)-hydroxy(4-nitrophenoxy)phosphoryl]thymidine

OAQ

OAQ
Name:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Formula:	C14 H21 N3 O3
SMILES:	[O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC(C)C)CO
InChi:	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m0/s1
Synonyms:	Oxamniquine
Definition date:	2013-09-24
Last modified:	2020-06-17
Release date:	2013-12-18
Identifier:	{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol

OCB

OCB
Name:	OCTANOYLCARNITINE
Formula:	C15 H30 N O4
SMILES:	O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C
InChi:	InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1
Synonyms:	3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM
Definition date:	2004-10-12
Last modified:	2020-06-17
Identifier:	(2R)-3-carboxy-N,N,N-trimethyl-2-(octanoyloxy)propan-1-aminium

9TP

9TP
Name:	(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
Formula:	C32 H32 O13 S
SMILES:	O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7
InChi:	InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
Synonyms:	Teniposide
Definition date:	2013-07-01
Last modified:	2020-06-17
Release date:	2013-07-24
Identifier:	(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside

OCV

OCV
Name:	N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE
Formula:	C14 H24 N2 O7 S
SMILES:	O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C14H24N2O7S/c1-7(2)11(13(20)21)23-14(22)9(6-24)16-10(17)5-3-4-8(15)12(18)19/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)/t8-,9-,11+/m0/s1
Synonyms:	L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER
Definition date:	2001-04-12
Last modified:	2020-06-17
Identifier:	N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

ODD

ODD
Name:	(10E,12Z)-OCTADECA-10,12-DIENOIC ACID
Formula:	C18 H32 O2
SMILES:	O=C(O)CCCCCCCCC=CC=C/CCCCC
InChi:	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
Synonyms:	10-TRANS-12-CIS-OCTADECADIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(10E,12Z)-octadeca-10,12-dienoic acid

ODI

ODI
Name:	OCTANE-1,8-DIOL
Formula:	C8 H18 O2
SMILES:	OCCCCCCCCO
InChi:	InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
Synonyms:	1,8-OCTANEDIOL
Definition date:	2006-04-23
Last modified:	2020-06-17
Identifier:	octane-1,8-diol

ODK

ODK
Name:	3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
Formula:	C9 H7 N3 O2
SMILES:	O=C(O)c1cc(nn1)c2ncccc2
InChi:	InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)
Synonyms:	5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid
Definition date:	2010-08-12
Last modified:	2020-06-17
Identifier:	3-(pyridin-2-yl)-1H-pyrazole-5-carboxylic acid

9V5

9V5
Name:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene
Formula:	C12 H8 Cl N O4 S
SMILES:	[O-][N+](=O)c1cc(Cl)ccc1[S](=O)(=O)c2ccccc2
InChi:	InChI=1S/C12H8ClNO4S/c13-9-6-7-12(11(8-9)14(15)16)19(17,18)10-4-2-1-3-5-10/h1-8H
Synonyms:	BIS-TRIS BUFFER
Definition date:	2017-07-15
Last modified:	2020-06-17
Release date:	2017-10-25
Identifier:	4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene

ODT

ODT
Name:	(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID
Formula:	C18 H30 O2
SMILES:	O=C(O)CCCCCCCCCC=CC=CC=C/CC
InChi:	InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-8H,2,9-17H2,1H3,(H,19,20)/b4-3-,6-5+,8-7+
Synonyms:	11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID
Definition date:	2005-10-24
Last modified:	2020-06-17
Identifier:	(11E,13E,15Z)-octadeca-11,13,15-trienoic acid

OER

OER
Name:	SR-MN4-O5 CLUSTER
Formula:	Mn4 O5 Sr
SMILES:	O1[Mn][O-]2\|3[Mn]4\|O5[Sr++]2\|O6[Mn]1\|3[O+]4[Mn]56
InChi:	InChI=1S/4Mn.5O.Sr/q
Synonyms:	Mn4SrOt5-cluster
Definition date:	2013-02-12
Last modified:	2020-06-17

9X1

9X1
Name:	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}
Formula:	C46 H38 Cl2 N4
SMILES:	c1(ccc(Cl)cc1)N(C)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c8ccc(C[n+]5ccc(c6c5cccc6)N(C)c7ccc(cc7)Cl)cc8
InChi:	InChI=1S/C46H38Cl2N4/c1-49(39-23-19-37(47)20-24-39)43-27-29-51(45-9-5-3-7-41(43)45)31-33-11-15-35(16-12-33)36-17-13-34(14-18-36)32-52-30-28-44(42-8-4-6-10-46(42)52)50(2)40-25-21-38(48)22-26-40/h3-30H,31-32H2,1-2H3/q+2
Synonyms:	TCD-717
Definition date:	2017-06-21
Last modified:	2020-06-17
Release date:	2018-02-14
Identifier:	1,1'-[[1,1'-biphenyl]-4,4'-diylbis(methylene)]bis{4-[(4-chlorophenyl)(methyl)amino]quinolin-1-ium}

9X6

9X6
Name:	thiodiglycolic acid
Formula:	C4 H6 O4 S
SMILES:	O=C(O)CSCC(=O)O
InChi:	InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
Synonyms:	2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid
Definition date:	2013-07-29
Last modified:	2020-06-17
Release date:	2014-02-26
Identifier:	2,2'-sulfanediyldiacetic acid

OGK

OGK
Name:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid
Formula:	C18 H27 N O4
SMILES:	O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC23
InChi:	InChI=1S/C18H27NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h10-14H,3-9H2,1-2H3,(H,19,21)(H,22,23)/t10-,11+,12+,13+,14+,18+/m1/s1
Synonyms:	Coronatine
Definition date:	2010-09-07
Last modified:	2020-06-17
Identifier:	(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid

9XY

9XY
Name:	Endoxifen
Formula:	C25 H27 N O2
SMILES:	CNCCOc1ccc(cc1)C(=C(CC)c2ccccc2)c3ccc(cc3)O
InChi:	InChI=1S/C25H27NO2/c1-3-24(19-7-5-4-6-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26-2/h4-16,26-27H,3,17-18H2,1-2H3/b25-24-
Synonyms:	4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
Definition date:	2017-06-26
Last modified:	2020-06-17
Release date:	2017-10-11
Identifier:	4-[(1Z)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol

OGN

OGN
Name:	[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate
Formula:	C15 H19 N3 O7
SMILES:	O=C(ON=C1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2
InChi:	InChI=1S/C15H19N3O7/c1-8(20)16-11-13(22)12(21)10(7-19)24-14(11)18-25-15(23)17-9-5-3-2-4-6-9/h2-6,10-13,19,21-22H,7H2,1H3,(H,16,20)(H,17,23)/b18-14-/t10-,11-,12+,13-/m1/s1
Synonyms:	Gal-PUGNAc
Definition date:	2011-09-22
Last modified:	2020-06-17
Identifier:	N-[(2Z,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

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