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IQE

IQE
Name:	1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide
Formula:	C15 H14 N2 O5 S2
SMILES:	N[S](=O)(=O)c1ccc2C(=O)N(CCc3ccccc3)[S](=O)(=O)c2c1
InChi:	InChI=1S/C15H14N2O5S2/c16-23(19,20)12-6-7-13-14(10-12)24(21,22)17(15(13)18)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,16,19,20)
Definition date:	2023-08-02
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1,1,3-tris(oxidanylidene)-2-(2-phenylethyl)-1,2-benzothiazole-6-sulfonamide

ITZ

ITZ
Name:	2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid
Formula:	C9 H14 N2 O2 S
SMILES:	NC(c1nc(C(=O)O)cs1)C(CC)C
InChi:	InChI=1S/C9H14N2O2S/c1-3-5(2)7(10)8-11-6(4-14-8)9(12)13/h4-5,7H,3,10H2,1-2H3,(H,12,13)/t5-,7-/m0/s1
Definition date:	2019-12-04
Last modified:	2023-11-03
Release date:	2020-12-02
Identifier:	2-[(1S,2S)-1-amino-2-methylbutyl]-1,3-thiazole-4-carboxylic acid

IVA

IVA
Name:	ISOVALERIC ACID
Formula:	C5 H10 O2
SMILES:	O=C(O)CC(C)C
InChi:	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-methylbutanoic acid

IYR

IYR
Name:	3-IODO-TYROSINE
Formula:	C9 H10 I N O3
SMILES:	Ic1cc(ccc1O)CC(C(=O)O)N
InChi:	InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-iodo-L-tyrosine

IZO

IZO
Name:	(2S)-2-AMINOHEX-5-YNOIC ACID
Formula:	C6 H9 N O2
SMILES:	O=C(O)C(N)CCC#C
InChi:	InChI=1S/C6H9NO2/c1-2-3-4-5(7)6(8)9/h1,5H,3-4,7H2,(H,8,9)/t5-/m0/s1
Definition date:	2010-08-09
Last modified:	2023-11-03
Identifier:	(2S)-2-aminohex-5-ynoic acid

J2F

J2F
Name:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid
Formula:	C16 H16 N2 O5
SMILES:	N[CH](Cc1ccc(OCc2ccccc2[N+]([O-])=O)cc1)C(O)=O
InChi:	InChI=1S/C16H16N2O5/c17-14(16(19)20)9-11-5-7-13(8-6-11)23-10-12-3-1-2-4-15(12)18(21)22/h1-8,14H,9-10,17H2,(H,19,20)/t14-/m0/s1
Definition date:	2022-08-04
Last modified:	2023-11-03
Release date:	2022-09-21
Identifier:	(2~{S})-2-azanyl-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoic acid

J3D

J3D
Name:	N-carboxy-L-cysteine
Formula:	C4 H7 N O4 S
SMILES:	C(S)C(C(O)=O)NC(=O)O
InChi:	InChI=1S/C4H7NO4S/c6-3(7)2(1-10)5-4(8)9/h2,5,10H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
Definition date:	2018-08-06
Last modified:	2023-11-03
Release date:	2019-08-07
Identifier:	N-carboxy-L-cysteine

J3K

J3K
Name:	(2~{R})-1-azanylpropan-2-ol
Formula:	C3 H9 N O
SMILES:	C[CH](O)CN
InChi:	InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3/t3-/m1/s1
Definition date:	2019-01-17
Last modified:	2023-11-03
Release date:	2020-04-15
Identifier:	(2~{R})-1-azanylpropan-2-ol

XO9

XO9
Name:	1,3-benzothiazole-2(3H)-thione
Formula:	C7 H5 N S2
SMILES:	S=C1Nc2ccccc2S1
InChi:	InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Synonyms:	2-mercaptobenzothiazole, thione tautomer
Definition date:	2022-12-02
Last modified:	2023-11-02
Release date:	2023-03-01
Identifier:	1,3-benzothiazole-2(3H)-thione

KX0

KX0
Name:	Tinengotinib
Formula:	C20 H19 Cl N6 O
SMILES:	Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5
InChi:	InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)
Synonyms:	4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine
Definition date:	2022-10-26
Last modified:	2023-11-02
Release date:	2023-10-25
Identifier:	4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine

R6F

R6F
Name:	methopterin
Formula:	C20 H21 N7 O6
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2N=C(N)NC(=O)c2n1
InChi:	InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1
Synonyms:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
Definition date:	2022-06-21
Last modified:	2023-11-02
Release date:	2023-06-21
Identifier:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid

UGU

UGU
Name:	(Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Formula:	C20 H34 O5
SMILES:	CCCCC[CH](O)C=C[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
Synonyms:	Dinoprost
Definition date:	2023-05-30
Last modified:	2023-11-01
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid

X4U

X4U
Name:	Citarinostat
Formula:	C24 H26 Cl N5 O3
SMILES:	ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1
InChi:	InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
Synonyms:	2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
Definition date:	2023-05-31
Last modified:	2023-11-01
Release date:	2023-09-06
Identifier:	2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

OJ0

OJ0
Name:	Levobupivacaine
Formula:	C18 H28 N2 O
SMILES:	CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
InChi:	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
Synonyms:	(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide
Definition date:	2023-02-04
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

PJO

PJO
Name:	Benziodarone
Formula:	C17 H12 I2 O3
SMILES:	CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
Synonyms:	Amplivix
Definition date:	2023-03-06
Last modified:	2023-11-01
Release date:	2023-06-28
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone

R5F

R5F
Name:	Rotigotine
Formula:	C19 H25 N O S
SMILES:	CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2
InChi:	InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
Synonyms:	(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Definition date:	2023-03-31
Last modified:	2023-11-01
Release date:	2023-06-07
Identifier:	(6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol

T70

T70
Name:	PF-05089771
Formula:	C18 H12 Cl2 F N5 O3 S2
SMILES:	Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4
InChi:	InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
Synonyms:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Definition date:	2023-04-20
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

T7F

T7F
Name:	Vinpocetine
Formula:	C22 H26 N2 O2
SMILES:	CCOC(=O)C1=C[C]2(CC)CCCN3CCc4c5ccccc5n1c4[CH]23
InChi:	InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
Synonyms:	Ethyl apovincaminate
Definition date:	2023-04-20
Last modified:	2023-11-01
Release date:	2023-06-14

TB4

TB4
Name:	Vixotrigine
Formula:	C18 H19 F N2 O2
SMILES:	NC(=O)[CH]1CC[CH](N1)c2ccc(OCc3ccccc3F)cc2
InChi:	InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
Synonyms:	(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
Definition date:	2023-04-21
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide

WYB

WYB
Name:	2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)
Formula:	C11 H6 Cl N3 O6
SMILES:	Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O
InChi:	InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21)
Synonyms:	Lodoxamide
Definition date:	2022-10-24
Last modified:	2023-10-31
Release date:	2023-02-08
Identifier:	2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid)

OCW

OCW
Name:	Tetracenomycin X
Formula:	C24 H22 O11
SMILES:	COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC
InChi:	InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1
Synonyms:	methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate
Definition date:	2020-02-27
Last modified:	2023-10-31
Release date:	2020-07-01
Identifier:	methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate

WSR

WSR
Name:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)
Formula:	C25 H41 F O5 S
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O
InChi:	InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name)

VUT

VUT
Name:	5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Formula:	C13 H8 Cl2 N2 O4
SMILES:	Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O
InChi:	InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
Synonyms:	Niclosamide
Definition date:	2023-09-19
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

WU5

WU5
Name:	(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)
Formula:	C25 H41 F O2
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChi:	InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1
Definition date:	2022-10-19
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name)

WU9

WU9
Name:	(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)
Formula:	C32 H51 F O4
SMILES:	FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCCOCCOCC#C
InChi:	InChI=1S/C32H51FO4/c1-5-16-35-17-18-36-19-20-37-26-12-14-31(3)24(21-26)7-9-27-29-11-10-28(23(2)6-8-25(34)22-33)32(29,4)15-13-30(27)31/h1,23-24,26-30H,6-22H2,2-4H3/t23-,24-,26-,27+,28-,29+,30+,31+,32-/m1/s1
Definition date:	2022-10-19
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)

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