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M0S

M0S
Name:	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one
Formula:	C13 H19 N5 O S2
SMILES:	c12C(N(C(=O)N(C)c1nc(n2)SCCN3CCCC3)C)=S
InChi:	InChI=1S/C13H19N5OS2/c1-16-10-9(11(20)17(2)13(16)19)14-12(15-10)21-8-7-18-5-3-4-6-18/h3-8H2,1-2H3,(H,14,15)
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one

M0V

M0V
Name:	7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Formula:	C14 H21 N5 O4
SMILES:	O=C2N(C)C(=O)c3n(CC(O)CN1CCOCC1)cnc3N2C
InChi:	InChI=1S/C14H21N5O4/c1-16-12-11(13(21)17(2)14(16)22)19(9-15-12)8-10(20)7-18-3-5-23-6-4-18/h9-10,20H,3-8H2,1-2H3/t10-/m0/s1
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

M1D

M1D
Name:	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid
Formula:	C11 H14 N4 O4
SMILES:	O=C1N(C(=O)c2c(N1C)ncn2CCCC(O)=O)C
InChi:	InChI=1S/C11H14N4O4/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
Definition date:	2019-03-18
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)butanoic acid

M3B

M3B
Name:	(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine
Formula:	C8 H22 N4 O
SMILES:	COCCN[CH](N)NCCCCN
InChi:	InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1
Definition date:	2019-10-02
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine

JVZ

JVZ
Name:	(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol
Formula:	C19 H20 N2 O2
SMILES:	O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34
InChi:	InChI=1S/C19H20N2O2/c22-16(11-21-13-20-18-6-1-2-7-19(18)21)12-23-17-9-8-14-4-3-5-15(14)10-17/h1-2,6-10,13,16,22H,3-5,11-12H2/t16-/m0/s1
Definition date:	2019-04-05
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol

OZG

OZG
Name:	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid
Formula:	C17 H14 O5
SMILES:	c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3
InChi:	InChI=1S/C17H14O5/c1-20-12-3-2-4-13(8-12)22-14-5-6-15-11(7-17(18)19)10-21-16(15)9-14/h2-6,8-10H,7H2,1H3,(H,18,19)
Definition date:	2019-07-22
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid

OZM

OZM
Name:	(6-benzyl-1-benzofuran-3-yl)acetic acid
Formula:	C17 H14 O3
SMILES:	C(c1ccc2c(CC(O)=O)coc2c1)c3ccccc3
InChi:	InChI=1S/C17H14O3/c18-17(19)10-14-11-20-16-9-13(6-7-15(14)16)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
Definition date:	2019-07-22
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(6-benzyl-1-benzofuran-3-yl)acetic acid

P4S

P4S
Name:	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide
Formula:	C24 H32 O5
SMILES:	C12(C)CCC(CC1(O)CCC6C2CCC4(C(C3=COC(=O)C=C3)CC5C46O5)C)O
InChi:	InChI=1S/C24H32O5/c1-21-8-5-15(25)12-23(21,27)10-7-17-16(21)6-9-22(2)18(11-19-24(17,22)29-19)14-3-4-20(26)28-13-14/h3-4,13,15-19,25,27H,5-12H2,1-2H3/t15-,16-,17+,18+,19+,21+,22+,23-,24+/m0/s1
Definition date:	2019-07-30
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	(3beta,5beta,14alpha,15beta)-3,5-dihydroxy-14,15-epoxybufa-20,22-dienolide

P57

P57
Name:	3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole
Formula:	C18 H15 N3
SMILES:	c1cccc3c1c(Cn2cncc2)c(n3)c4ccccc4
InChi:	InChI=1S/C18H15N3/c1-2-6-14(7-3-1)18-16(12-21-11-10-19-13-21)15-8-4-5-9-17(15)20-18/h1-11,13,20H,12H2
Definition date:	2019-07-31
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	3-[(1H-imidazol-1-yl)methyl]-2-phenyl-1H-indole

P5G

P5G
Name:	4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)
Formula:	C20 H24 O5
SMILES:	c1(ccc(O)c(c1)OC)CC2COCC2Cc3cc(c(cc3)O)OC
InChi:	InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
Definition date:	2019-07-31
Last modified:	2019-12-20
Release date:	2019-12-25
Identifier:	4,4'-[(3R,4R)-oxolane-3,4-diylbis(methylene)]bis(2-methoxyphenol)

Q5J

Q5J
Name:	4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide
Formula:	C17 H16 N4 O2 S
SMILES:	c1c(c3c(c(c1)NS(=O)(=O)c2ccc(cc2)CN)ncc3C#N)C
InChi:	InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3
Definition date:	2019-09-23
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide

Q5V

Q5V
Name:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine
Formula:	C27 H24 F3 N3 O8 S2
SMILES:	c1c(ccc(c1)OC)S(=O)(=O)N(CC(O)=O)c3ncc(N(S(=O)(c2ccc(OC)cc2)=O)CC(F)(F)F)c4c3cccc4
InChi:	InChI=1S/C27H24F3N3O8S2/c1-40-18-7-11-20(12-8-18)42(36,37)32(16-25(34)35)26-23-6-4-3-5-22(23)24(15-31-26)33(17-27(28,29)30)43(38,39)21-13-9-19(41-2)10-14-21/h3-15H,16-17H2,1-2H3,(H,34,35)
Definition date:	2019-09-24
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl](2,2,2-trifluoroethyl)amino}isoquinolin-1-yl)glycine

Q5Y

Q5Y
Name:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine
Formula:	C26 H24 N2 O8 S2
SMILES:	O(C)c4ccc(S(=O)(=O)N(c1c3c(c(cc1)NS(=O)(=O)c2ccc(cc2)OC)cccc3)CC(O)=O)cc4
InChi:	InChI=1S/C26H24N2O8S2/c1-35-18-7-11-20(12-8-18)37(31,32)27-24-15-16-25(23-6-4-3-5-22(23)24)28(17-26(29)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,27H,17H2,1-2H3,(H,29,30)
Definition date:	2019-09-24
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-N-(4-{[(4-methoxyphenyl)sulfonyl]amino}naphthalen-1-yl)glycine

Q61

Q61
Name:	guanosine-5'-monophosphate-2',3'-vanadate
Formula:	C10 H12 N5 O10 P V
SMILES:	C3(n2c1N=C(N)NC(c1nc2)=O)OC(C4C3O[V](=O)(O)O4)COP(=O)(O)O
InChi:	InChI=1S/C10H12N5O8P.H2O.O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21
Definition date:	2019-09-24
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	[5'-guanylato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium

Q71

Q71
Name:	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C7 H5 F N2 O3 S
SMILES:	c1(F)cc2c(cc1)NC(NS2(=O)=O)=O
InChi:	InChI=1S/C7H5FN2O3S/c8-4-1-2-5-6(3-4)14(12,13)10-7(11)9-5/h1-3H,(H2,9,10,11)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

T0A

T0A
Name:	5-deazatetrahydropterin
Formula:	C7 H10 N4 O
SMILES:	NC1=NC2=C(CCCN2)C(=O)N1
InChi:	InChI=1S/C7H10N4O/c8-7-10-5-4(6(12)11-7)2-1-3-9-5/h1-3H2,(H4,8,9,10,11,12)
Definition date:	2018-12-08
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	2-azanyl-5,6,7,8-tetrahydro-3~{H}-pyrido[2,3-d]pyrimidin-4-one

Q77

Q77
Name:	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C9 H10 N2 O3 S
SMILES:	Cc1cc2c(c(C)c1)NC(NS2(=O)=O)=O
InChi:	InChI=1S/C9H10N2O3S/c1-5-3-6(2)8-7(4-5)15(13,14)11-9(12)10-8/h3-4H,1-2H3,(H2,10,11,12)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

Q7A

Q7A
Name:	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C7 H5 Cl N2 O3 S
SMILES:	O=C2NS(=O)(=O)c1c(c(ccc1)Cl)N2
InChi:	InChI=1S/C7H5ClN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)
Definition date:	2019-09-27
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

UNY

UNY
Name:	(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:	C21 H23 F N2 O6 S
SMILES:	COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2
InChi:	InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m1/s1
Definition date:	2018-11-09
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide

UNZ

UNZ
Name:	(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
Formula:	C21 H23 F N2 O6 S
SMILES:	COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)NO)[S](C)(=O)=O)Cc3c2
InChi:	InChI=1S/C21H23FN2O6S/c1-21(20(26)23-27,31(3,28)29)8-9-24-12-14-10-13(4-6-17(14)19(24)25)16-7-5-15(30-2)11-18(16)22/h4-7,10-11,27H,8-9,12H2,1-3H3,(H,23,26)/t21-/m0/s1
Definition date:	2018-11-12
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide

QPD

QPD
Name:	(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide
Formula:	C17 H16 N4 O2
SMILES:	c2ccc3ncc(C(=O)NNC(c1ccccc1)C(=O)N)c3c2
InChi:	InChI=1S/C17H16N4O2/c18-16(22)15(11-6-2-1-3-7-11)20-21-17(23)13-10-19-14-9-5-4-8-12(13)14/h1-10,15,19-20H,(H2,18,22)(H,21,23)/t15-/m1/s1
Definition date:	2019-12-05
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(2R)-2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-phenylacetamide

PX7

PX7
Name:	4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
Formula:	C8 H8 N2 O3 S
SMILES:	N2S(c1ccccc1N(C2=O)C)(=O)=O
InChi:	InChI=1S/C8H8N2O3S/c1-10-6-4-2-3-5-7(6)14(12,13)9-8(10)11/h2-5H,1H3,(H,9,11)
Definition date:	2019-08-28
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

G5H

G5H
Name:	5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
Formula:	C13 H18 N4 O11 S
SMILES:	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C13H18N4O11S/c14-5(3-8(19)20)11(23)16-29(25,26)27-4-6-9(21)10(22)12(28-6)17-2-1-7(18)15-13(17)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,16,23)(H,19,20)(H,15,18,24)/t5-,6+,9+,10+,12+/m0/s1
Definition date:	2018-08-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

G5N

G5N
Name:	5'-O-(N-(L-aspartyl)-sulfamoyl)cytidine
Formula:	C13 H19 N5 O10 S
SMILES:	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C13H19N5O10S/c14-5(3-8(19)20)11(23)17-29(25,26)27-4-6-9(21)10(22)12(28-6)18-2-1-7(15)16-13(18)24/h1-2,5-6,9-10,12,21-22H,3-4,14H2,(H,17,23)(H,19,20)(H2,15,16,24)/t5-,6+,9+,10+,12+/m0/s1
Definition date:	2018-08-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

G5Q

G5Q
Name:	5'-O-(N-(L-aspartyl)-sulfamoyl)N3-methyluridine
Formula:	C14 H20 N4 O11 S
SMILES:	CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(O)=O)[CH](O)[CH]2O)C1=O
InChi:	InChI=1S/C14H20N4O11S/c1-17-8(19)2-3-18(14(17)25)13-11(23)10(22)7(29-13)5-28-30(26,27)16-12(24)6(15)4-9(20)21/h2-3,6-7,10-11,13,22-23H,4-5,15H2,1H3,(H,16,24)(H,20,21)/t6-,7+,10+,11+,13+/m0/s1
Definition date:	2018-08-29
Last modified:	2019-12-13
Release date:	2019-12-18
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

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