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H4A

H4A
Name:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1CC3C4(C1)C(O)CC(c2ccccc2)C(C3)N4
InChi:	InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14-,15+/m1/s1
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

H4D

H4D
Name:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
Formula:	C13 H12 B N O5 S
SMILES:	N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O
InChi:	InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid

H4G

H4G
Name:	2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide
Formula:	C13 H10 F2 N2 O
SMILES:	N(C(Cc1ccc(F)cc1F)=O)c2cccnc2
InChi:	InChI=1S/C13H10F2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-11-2-1-5-16-8-11/h1-5,7-8H,6H2,(H,17,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(2,4-difluorophenyl)-N-(pyridin-3-yl)acetamide

H4Y

H4Y
Name:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O2
SMILES:	N1(C(CCC1)=O)c3c(c2ccc(cc2)OC)cccc3
InChi:	InChI=1S/C17H17NO2/c1-20-14-10-8-13(9-11-14)15-5-2-3-6-16(15)18-12-4-7-17(18)19/h2-3,5-6,8-11H,4,7,12H2,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-(4'-methoxy[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

H5G

H5G
Name:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide
Formula:	C14 H12 Cl N O2
SMILES:	N(C(Cc1cccc(O)c1)=O)c2cccc(c2)Cl
InChi:	InChI=1S/C14H12ClNO2/c15-11-4-2-5-12(9-11)16-14(18)8-10-3-1-6-13(17)7-10/h1-7,9,17H,8H2,(H,16,18)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(3-chlorophenyl)-2-(3-hydroxyphenyl)acetamide

H68

H68
Name:	Tetrahydrocolumbamine
Formula:	C20 H23 N O4
SMILES:	COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
InChi:	InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
Definition date:	2018-11-16
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol

HEW

HEW
Name:	4-bromanylpyridin-2-amine
Formula:	C5 H5 Br N2
SMILES:	Nc1cc(Br)ccn1
InChi:	InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
Definition date:	2018-12-04
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-bromanylpyridin-2-amine

HGH

HGH
Name:	2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid
Formula:	C13 H11 N5 O3
SMILES:	Nc1nc2[nH]cnc2c(Oc3cccc(CC(O)=O)c3)n1
InChi:	InChI=1S/C13H11N5O3/c14-13-17-11-10(15-6-16-11)12(18-13)21-8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid

HGK

HGK
Name:	2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid
Formula:	C13 H11 N O4
SMILES:	OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1
InChi:	InChI=1S/C13H11NO4/c15-12-8-11(5-6-14-12)18-10-3-1-9(2-4-10)7-13(16)17/h1-6H,7-8H2,(H,16,17)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid

HGQ

HGQ
Name:	4-bromanyl-1~{H}-pyridin-2-one
Formula:	C5 H4 Br N O
SMILES:	BrC1=CC(=O)NC=C1
InChi:	InChI=1S/C5H4BrNO/c6-4-1-2-7-5(8)3-4/h1-3H,(H,7,8)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-bromanyl-1~{H}-pyridin-2-one

HH5

HH5
Name:	6-iodanyl-7~{H}-purin-2-amine
Formula:	C5 H4 I N5
SMILES:	Nc1nc(I)c2[nH]cnc2n1
InChi:	InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-iodanyl-7~{H}-purin-2-amine

HH8

HH8
Name:	4-bromanyl-1,8-naphthyridine
Formula:	C8 H5 Br N2
SMILES:	Brc1ccnc2ncccc12
InChi:	InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-bromanyl-1,8-naphthyridine

HHB

HHB
Name:	2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid
Formula:	C12 H11 N3 O2
SMILES:	OC(=O)Cc1cccc(Nc2ccncn2)c1
InChi:	InChI=1S/C12H11N3O2/c16-12(17)7-9-2-1-3-10(6-9)15-11-4-5-13-8-14-11/h1-6,8H,7H2,(H,16,17)(H,13,14,15)
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid

HHN

HHN
Name:	5-bromanylpyrimidine
Formula:	C4 H3 Br N2
SMILES:	Brc1cncnc1
InChi:	InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-bromanylpyrimidine

HHQ

HHQ
Name:	4-iodanyl-3~{H}-pyridin-2-one
Formula:	C5 H4 I N O
SMILES:	IC1=CC=NC(=O)C1
InChi:	InChI=1S/C5H4INO/c6-4-1-2-7-5(8)3-4/h1-2H,3H2
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	4-iodanyl-3~{H}-pyridin-2-one

HHW

HHW
Name:	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid
Formula:	C16 H12 Cl N O3
SMILES:	OC(=O)C=Cc1cccc(c1)C(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C16H12ClNO3/c17-13-5-7-14(8-6-13)18-16(21)12-3-1-2-11(10-12)4-9-15(19)20/h1-10H,(H,18,21)(H,19,20)/b9-4+
Definition date:	2018-12-06
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	(~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid

HJK

HJK
Name:	2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid
Formula:	C13 H11 N5 O2
SMILES:	Nc1nc2[nH]cnc2c(n1)c3cccc(CC(O)=O)c3
InChi:	InChI=1S/C13H11N5O2/c14-13-17-10(11-12(18-13)16-6-15-11)8-3-1-2-7(4-8)5-9(19)20/h1-4,6H,5H2,(H,19,20)(H3,14,15,16,17,18)
Definition date:	2018-12-10
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid

QAS

QAS
Name:	6-mercaptopyridine-2,3-dicarboxylic acid
Formula:	C7 H5 N O4 S
SMILES:	OC(=O)c1ccc(S)nc1C(O)=O
InChi:	InChI=1S/C7H5NO4S/c9-6(10)3-1-2-4(13)8-5(3)7(11)12/h1-2H,(H,8,13)(H,9,10)(H,11,12)
Definition date:	2018-10-26
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-sulfanylpyridine-2,3-dicarboxylic acid

QAT

QAT
Name:	5-mercaptopyridine-2,3-dicarboxylic acid
Formula:	C7 H5 N O4 S
SMILES:	OC(=O)C1=C(N=CC(=S)C1)C(O)=O
InChi:	InChI=1S/C7H5NO4S/c9-6(10)4-1-3(13)2-8-5(4)7(11)12/h2H,1H2,(H,9,10)(H,11,12)
Definition date:	2018-10-29
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-sulfanylidene-4~{H}-pyridine-2,3-dicarboxylic acid

X
Name:	2'-DEOXY-N7-(8,9-DIHYDRO-9-HYDROXY-10-DEHYDROXY-AFLATOXIN)GUANOSINE MONOPHOSPHATE
Formula:	C27 H27 N5 O14 P
SMILES:	P(=O)(O)(O)OCC1OC(CC1O)n2c[n+](c3C(=O)NC(N)=Nc23)C8OC7Oc6cc(c5C=4CCC(=O)C=4C(Oc5c6C7C8O)=O)OC
InChi:	InChI=1S/C27H26N5O14P/c1-41-11-5-12-17(21-16(11)8-2-3-9(33)15(8)25(37)45-21)18-20(35)24(46-26(18)44-12)32-7-31(22-19(32)23(36)30-27(28)29-22)14-4-10(34)13(43-14)6-42-47(38,39)40/h5,7,10,13-14,18,20,24,26,34-35H,2-4,6H2,1H3,(H4-,28,29,30,36,38,39,40)/p+1/t10-,13+,14+,18+,20+,24+,26-/m0/s1
Definition date:	1999-07-08
Last modified:	2019-03-15
Identifier:	2'-deoxy-7-[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl]guanosine 5'-(dihydrogen phosphate)

HQG

HQG
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Formula:	C15 H24 N5 O17 P3
SMILES:	C2(C(C(C(COP(O)(=O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O2)O)O)n3c4c(nc3)c(ncn4)N
InChi:	InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Definition date:	2018-07-16
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)

KQY

KQY
Name:	6-aminohexanamide
Formula:	C6 H14 N2 O
SMILES:	O=C(CCCCCN)N
InChi:	InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)
Definition date:	2019-01-08
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	6-aminohexanamide

KVD

KVD
Name:	5-(phenylethynyl)pyridine-3-carboxylic acid
Formula:	C14 H9 N O2
SMILES:	c1(ccccc1)C#Cc2cncc(C(O)=O)c2
InChi:	InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
Definition date:	2019-01-18
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	5-(phenylethynyl)pyridine-3-carboxylic acid

KW1

KW1
Name:	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid
Formula:	C8 H9 Br N2 O4 S
SMILES:	C(SCC(O)=O)C(Nc1c(c(C)on1)Br)=O
InChi:	InChI=1S/C8H9BrN2O4S/c1-4-7(9)8(11-15-4)10-5(12)2-16-3-6(13)14/h2-3H2,1H3,(H,13,14)(H,10,11,12)
Definition date:	2019-01-18
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	({2-[(4-bromo-5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}sulfanyl)acetic acid

KWG

KWG
Name:	3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid
Formula:	C19 H13 N O2
SMILES:	c3c(C#Cc1cccc(C(O)=O)c1n2cccc2)cccc3
InChi:	InChI=1S/C19H13NO2/c21-19(22)17-10-6-9-16(18(17)20-13-4-5-14-20)12-11-15-7-2-1-3-8-15/h1-10,13-14H,(H,21,22)
Definition date:	2019-01-21
Last modified:	2019-03-15
Release date:	2019-03-20
Identifier:	3-(phenylethynyl)-2-(1H-pyrrol-1-yl)benzoic acid

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