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QJJ

QJJ
Name:	N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
Formula:	C15 H17 F N4 O2 S
SMILES:	C(NC1CC1C32N=C(N)SCC2COC3)(=O)c4ccc(cn4)F
InChi:	InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10-,12-,15-/m0/s1
Definition date:	2019-11-05
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{(1S,2S)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide

OH1

OH1
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide
Formula:	C15 H19 N3 O2
SMILES:	C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2
InChi:	InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide

OH4

OH4
Name:	{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
Formula:	C14 H18 N2 O2
SMILES:	n2c(CCC(c1ccccc1)OC)nc(c2)CO
InChi:	InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol

QJM

QJM
Name:	N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide
Formula:	C15 H17 F N4 O2 S
SMILES:	C1C(C1NC(=O)c2ccc(cn2)F)C34C(COC3)CSC(=N4)N
InChi:	InChI=1S/C15H17FN4O2S/c16-9-1-2-11(18-4-9)13(21)19-12-3-10(12)15-7-22-5-8(15)6-23-14(17)20-15/h1-2,4,8,10,12H,3,5-7H2,(H2,17,20)(H,19,21)/t8-,10+,12+,15-/m0/s1
Definition date:	2019-11-05
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]cyclopropyl}-5-fluoropyridine-2-carboxamide

OH7

OH7
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide
Formula:	C10 H17 N3 O2
SMILES:	C(NC(C)=O)CCCc1ncc(CO)n1
InChi:	InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)
Definition date:	2019-06-24
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide

QJP

QJP
Name:	(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
Formula:	C15 H23 N3 O2 S
SMILES:	O=C(C1CC1C32COCC3CSC(N)=N2)NCC4C(C)C4
InChi:	InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1
Definition date:	2019-11-05
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide

QJV

QJV
Name:	(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide
Formula:	C14 H23 N3 O2 S
SMILES:	O=C(C3C(C12C(CSC(=N1)N)COC2)C3)NCCCC
InChi:	InChI=1S/C14H23N3O2S/c1-2-3-4-16-12(18)10-5-11(10)14-8-19-6-9(14)7-20-13(15)17-14/h9-11H,2-8H2,1H3,(H2,15,17)(H,16,18)/t9-,10+,11+,14-/m0/s1
Definition date:	2019-11-05
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(1R,2R)-2-[(4aS,7aR)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-N-butylcyclopropane-1-carboxamide

OWY

OWY
Name:	4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
Formula:	C31 H39 N3 O2
SMILES:	CCN(CC)C(c1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4ccccc4)C)=O
InChi:	InChI=1S/C31H39N3O2/c1-5-32(6-2)31(36)27-17-15-26(16-18-27)30(28-13-10-14-29(35)19-28)34-21-23(3)33(20-24(34)4)22-25-11-8-7-9-12-25/h7-19,23-24,30,35H,5-6,20-22H2,1-4H3/t23-,24+,30-/m1/s1
Definition date:	2019-07-15
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

OHG

OHG
Name:	(2-methyl-1H-imidazol-4-yl)methanol
Formula:	C5 H8 N2 O
SMILES:	Cc1nc(cn1)CO
InChi:	InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)
Definition date:	2019-06-25
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(2-methyl-1H-imidazol-4-yl)methanol

OHJ

OHJ
Name:	(2-butyl-1H-imidazol-4-yl)methanol
Formula:	C8 H14 N2 O
SMILES:	C(c1cnc(CCCC)n1)O
InChi:	InChI=1S/C8H14N2O/c1-2-3-4-8-9-5-7(6-11)10-8/h5,11H,2-4,6H2,1H3,(H,9,10)
Definition date:	2019-06-25
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(2-butyl-1H-imidazol-4-yl)methanol

QK7

QK7
Name:	(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
Formula:	C21 H31 N5 O S
SMILES:	C1C(C1C)COC(C2CC2C54CN(c3ncccn3)CC5CSC(N)=N4)(C)C
InChi:	InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1
Definition date:	2019-11-06
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine

QKA

QKA
Name:	(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
Formula:	C19 H26 N6 O S
SMILES:	C5C(CNC(=O)C1CC1C34CN(c2ncccn2)CC3CSC(=N4)N)C5C
InChi:	InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1
Definition date:	2019-11-06
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide

OHV

OHV
Name:	benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:	C16 H21 N3 O3
SMILES:	C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2
InChi:	InChI=1S/C16H21N3O3/c20-11-14-10-18-15(19-14)8-4-5-9-17-16(21)22-12-13-6-2-1-3-7-13/h1-3,6-7,10,20H,4-5,8-9,11-12H2,(H,17,21)(H,18,19)
Definition date:	2019-06-25
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

Q54

Q54
Name:	(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid
Formula:	C24 H26 Cl N O3
SMILES:	c5c(Cl)cc4CCCC2(COc1ccc(cc1N(C2)CC3CCC3)C(O)=O)c4c5
InChi:	InChI=1S/C24H26ClNO3/c25-19-7-8-20-17(11-19)5-2-10-24(20)14-26(13-16-3-1-4-16)21-12-18(23(27)28)6-9-22(21)29-15-24/h6-9,11-12,16H,1-5,10,13-15H2,(H,27,28)/t24-/m0/s1
Definition date:	2019-09-23
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalene]-7-carboxylic acid

Q57

Q57
Name:	(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid
Formula:	C25 H28 Cl N O4
SMILES:	c5c(Cl)cc4c(C2(COc1ccc(C(O)C(O)=O)cc1N(C2)CC3CCC3)CCC4)c5
InChi:	InChI=1S/C25H28ClNO4/c26-19-7-8-20-17(11-19)5-2-10-25(20)14-27(13-16-3-1-4-16)21-12-18(23(28)24(29)30)6-9-22(21)31-15-25/h6-9,11-12,16,23,28H,1-5,10,13-15H2,(H,29,30)/t23-,25+/m1/s1
Definition date:	2019-09-23
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	(2R)-[(3S)-6'-chloro-5-(cyclobutylmethyl)-3',4,4',5-tetrahydro-2H,2'H-spiro[1,5-benzoxazepine-3,1'-naphthalen]-7-yl](hydroxy)acetic acid

OJG

OJG
Name:	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide
Formula:	C16 H21 N3 O2
SMILES:	C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
InChi:	InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide

OJJ

OJJ
Name:	methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Formula:	C17 H23 N3 O3
SMILES:	OCc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2
InChi:	InChI=1S/C17H23N3O3/c1-23-17(22)20(12-14-7-3-2-4-8-14)10-6-5-9-16-18-11-15(13-21)19-16/h2-4,7-8,11,21H,5-6,9-10,12-13H2,1H3,(H,18,19)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate

OJM

OJM
Name:	ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate
Formula:	C9 H14 N2 O3
SMILES:	c1c(nc(CCC(=O)OCC)n1)CO
InChi:	InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate

OJP

OJP
Name:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide
Formula:	C11 H17 N3 O2
SMILES:	c1c(nc(CCCCNC(/C=C)=O)n1)CO
InChi:	InChI=1S/C11H17N3O2/c1-2-11(16)12-6-4-3-5-10-13-7-9(8-15)14-10/h2,7,15H,1,3-6,8H2,(H,12,16)(H,13,14)
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide

OJY

OJY
Name:	5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline
Formula:	C9 H15 N3 O3
SMILES:	C(c1nc(CO)cn1)CCC(C(=O)O)N
InChi:	InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline

OK4

OK4
Name:	N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide
Formula:	C19 H32 N6 O5
SMILES:	C(=O)(C)NC(C)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)CCCc1nc(CO)cn1
InChi:	InChI=1S/C19H32N6O5/c1-10(2)16(17(20)28)25-19(30)14(24-18(29)11(3)22-12(4)27)6-5-7-15-21-8-13(9-26)23-15/h8,10-11,14,16,26H,5-7,9H2,1-4H3,(H2,20,28)(H,21,23)(H,22,27)(H,24,29)(H,25,30)/t11-,14-,16-/m0/s1
Definition date:	2019-06-26
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide

AW6

AW6
Name:	4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide
Formula:	C20 H12 Cl N O6 S
SMILES:	N(S(=O)(=O)c1ccc(cc1)Cl)c4cc3C(c2ccccc2C(c3c(c4O)O)=O)=O
InChi:	InChI=1S/C20H12ClNO6S/c21-10-5-7-11(8-6-10)29(27,28)22-15-9-14-16(20(26)19(15)25)18(24)13-4-2-1-3-12(13)17(14)23/h1-9,22,25-26H
Definition date:	2018-11-27
Last modified:	2019-12-06
Release date:	2019-12-11
Identifier:	4-chloro-N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)benzene-1-sulfonamide

RSP

RSP
Name:	4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione
Formula:	C9 H14 N3 O7 P S
SMILES:	NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C9H14N3O7PS/c10-5-1-2-12(9(21)11-5)8-7(14)6(13)4(19-8)3-18-20(15,16)17/h1-2,4,6-8,13-14H,3H2,(H2,10,11,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Definition date:	2010-01-11
Last modified:	2019-12-05
Identifier:	[(2R,3S,4R,5R)-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

M5W

M5W
Name:	5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
Formula:	C15 H20 N4 O2
SMILES:	COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
InChi:	InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)
Definition date:	2019-10-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide

N1W

N1W
Name:	(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
Formula:	C30 H41 N7 O7
SMILES:	CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3
InChi:	InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1
Definition date:	2019-11-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid

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