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JA5

JA5
Name:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate
Formula:	C9 H9 N O3 S
SMILES:	COC(=O)c1[nH]c2sc(CO)cc2c1
InChi:	InChI=1S/C9H9NO3S/c1-13-9(12)7-3-5-2-6(4-11)14-8(5)10-7/h2-3,10-11H,4H2,1H3
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate

JA8

JA8
Name:	5-bromanyl-1,3-benzothiazol-2-amine
Formula:	C7 H5 Br N2 S
SMILES:	Nc1sc2ccc(Br)cc2n1
InChi:	InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-bromanyl-1,3-benzothiazol-2-amine

JAB

JAB
Name:	1,2-oxazole-5-carbothioamide
Formula:	C4 H4 N2 O S
SMILES:	NC(=S)c1oncc1
InChi:	InChI=1S/C4H4N2OS/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,2-oxazole-5-carbothioamide

JAE

JAE
Name:	1,3-benzothiazol-6-amine
Formula:	C7 H6 N2 S
SMILES:	Nc1ccc2ncsc2c1
InChi:	InChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1,3-benzothiazol-6-amine

JAH

JAH
Name:	(6-phenylpyridin-3-yl)methanamine
Formula:	C12 H12 N2
SMILES:	NCc1ccc(nc1)c2ccccc2
InChi:	InChI=1S/C12H12N2/c13-8-10-6-7-12(14-9-10)11-4-2-1-3-5-11/h1-7,9H,8,13H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(6-phenylpyridin-3-yl)methanamine

JB5

JB5
Name:	quinoxalin-6-amine
Formula:	C8 H7 N3
SMILES:	Nc1ccc2nccnc2c1
InChi:	InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	quinoxalin-6-amine

JB8

JB8
Name:	1~{H}-indol-6-ylboronic acid
Formula:	C8 H8 B N O2
SMILES:	OB(O)c1ccc2cc[nH]c2c1
InChi:	InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	1~{H}-indol-6-ylboronic acid

JBE

JBE
Name:	3-nitropyridin-2-amine
Formula:	C5 H5 N3 O2
SMILES:	Nc1ncccc1[N+]([O-])=O
InChi:	InChI=1S/C5H5N3O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H,(H2,6,7)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3-nitropyridin-2-amine

JBH

JBH
Name:	3,4-dihydroquinazolin-4-ol
Formula:	C8 H8 N2 O
SMILES:	O[CH]1NC=Nc2ccccc12
InChi:	InChI=1S/C8H8N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5,8,11H,(H,9,10)/t8-/m1/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	3,4-dihydroquinazolin-4-ol

JBK

JBK
Name:	2-azanyl-3-nitro-phenol
Formula:	C6 H6 N2 O3
SMILES:	Nc1c(O)cccc1[N+]([O-])=O
InChi:	InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	2-azanyl-3-nitro-phenol

JBQ

JBQ
Name:	5-fluoranyl-3,4-dihydroquinazolin-4-ol
Formula:	C8 H7 F N2 O
SMILES:	O[CH]1NC=Nc2cccc(F)c12
InChi:	InChI=1S/C8H7FN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4,8,12H,(H,10,11)/t8-/m0/s1
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	5-fluoranyl-3,4-dihydroquinazolin-4-ol

JBZ

JBZ
Name:	6-methoxy-1,3-benzothiazole-2-carboxylic acid
Formula:	C9 H7 N O3 S
SMILES:	COc1ccc2nc(sc2c1)C(O)=O
InChi:	InChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
Definition date:	2019-02-13
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	6-methoxy-1,3-benzothiazole-2-carboxylic acid

CWF

CWF
Name:	(8S)-8-azanylnonanoic acid
Formula:	C9 H19 N O2
SMILES:	C[CH](N)CCCCCCC(O)=O
InChi:	InChI=1S/C9H19NO2/c1-8(10)6-4-2-3-5-7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
Definition date:	2019-05-24
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(8~{S})-8-azanylnonanoic acid

CWL

CWL
Name:	(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid
Formula:	C11 H21 N O4
SMILES:	C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
InChi:	InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
Definition date:	2019-05-24
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(3~{R})-3-[(1~{R})-1-azanylethyl]nonanedioic acid

E3U

E3U
Name:	(6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
Formula:	C16 H12 O6
SMILES:	Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O
InChi:	InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1
Definition date:	2019-10-04
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	(6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one

O45

O45
Name:	2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid
Formula:	C6 H9 N O4
SMILES:	CC(=C)CONC(=O)C(O)=O
InChi:	InChI=1S/C6H9NO4/c1-4(2)3-11-7-5(8)6(9)10/h1,3H2,2H3,(H,7,8)(H,9,10)
Definition date:	2020-01-29
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid

EN6

EN6
Name:	N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide
Formula:	C24 H22 F3 N3 O3 S
SMILES:	Cc1nn(c(CO)c1C(=O)NCCO)c2cccc3cc(Cc4cccc(c4)C(F)(F)F)sc23
InChi:	InChI=1S/C24H22F3N3O3S/c1-14-21(23(33)28-8-9-31)20(13-32)30(29-14)19-7-3-5-16-12-18(34-22(16)19)11-15-4-2-6-17(10-15)24(25,26)27/h2-7,10,12,31-32H,8-9,11,13H2,1H3,(H,28,33)
Definition date:	2020-01-16
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	~{N}-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide

Y8A

Y8A
Name:	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
Formula:	C20 H19 Cl N2 O
SMILES:	c1c2c(ccc1OC)n(c3c2CCN=C3C)Cc4ccc(cc4)Cl
InChi:	InChI=1S/C20H19ClN2O/c1-13-20-17(9-10-22-13)18-11-16(24-2)7-8-19(18)23(20)12-14-3-5-15(21)6-4-14/h3-8,11H,9-10,12H2,1-2H3
Definition date:	2019-11-29
Last modified:	2020-02-21
Release date:	2020-02-26
Identifier:	9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline

HKH

HKH
Name:	~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
Formula:	C23 H27 F N2 O4 S
SMILES:	CC(C)C[CH](NC(=O)c1ccc(cc1)c2sccc2)C(=O)N3C[CH](F)[CH]4OC[CH](O)[CH]34
InChi:	InChI=1S/C23H27FN2O4S/c1-13(2)10-17(23(29)26-11-16(24)21-20(26)18(27)12-30-21)25-22(28)15-7-5-14(6-8-15)19-4-3-9-31-19/h3-9,13,16-18,20-21,27H,10-12H2,1-2H3,(H,25,28)/t16-,17-,18-,20+,21+/m0/s1
Definition date:	2019-02-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide

KUQ

KUQ
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
Formula:	C15 H18 N2 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccccc3
InChi:	InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)9-6-16-15(17-9)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2019-06-28
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol

KV5

KV5
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
Formula:	C19 H20 N2 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c3ccc4ccccc4c3
InChi:	InChI=1S/C19H20N2O5/c22-9-14-15(23)16(24)17(25)18(26-14)13-8-20-19(21-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,14-18,22-25H,9H2,(H,20,21)/t14-,15-,16+,17-,18+/m1/s1
Definition date:	2019-06-29
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol

KVE

KVE
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
Formula:	C19 H19 N O5 S
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccc4ccccc4c3
InChi:	InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)19-20-13(9-26-19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2019-06-29
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol

KVH

KVH
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
Formula:	C19 H19 N O5 S
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccc4ccccc4c3
InChi:	InChI=1S/C19H19NO5S/c21-8-14-15(22)16(23)17(24)18(25-14)13-9-26-19(20-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,9,14-18,21-24H,8H2/t14-,15-,16+,17-,18+/m1/s1
Definition date:	2019-06-29
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol

KVN

KVN
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
Formula:	C13 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2nnc(n2)c3ccccc3
InChi:	InChI=1S/C13H16N4O5/c18-6-8-9(19)10(20)11(21)13(22-8)17-15-12(14-16-17)7-4-2-1-3-5-7/h1-5,8-11,13,18-21H,6H2/t8-,9-,10+,11-,13-/m1/s1
Definition date:	2019-07-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol

KVQ

KVQ
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
Formula:	C15 H17 N O5 S
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccccc3
InChi:	InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)9-7-22-15(16-9)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2019-07-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol

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