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H2M

H2M
Name:	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one
Formula:	C17 H12 F3 N O
SMILES:	c2(N1C(=O)CC=C1)ccccc2c3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C17H12F3NO/c18-17(19,20)13-6-3-5-12(11-13)14-7-1-2-8-15(14)21-10-4-9-16(21)22/h1-8,10-11H,9H2
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one

H31

H31
Name:	1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one
Formula:	C17 H17 N O
SMILES:	c1(ccc(cc1)C)c3c(N2CCCC2=O)cccc3
InChi:	InChI=1S/C17H17NO/c1-13-8-10-14(11-9-13)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'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one

HUH

HUH
Name:	1~{H}-1,2,3-triazole
Formula:	C2 H3 N3
SMILES:	[nH]1ccnn1
InChi:	InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1~{H}-1,2,3-triazole

HUK

HUK
Name:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium
Formula:	C26 H45 N3
SMILES:	CCCC[NH+](C)[CH](C[NH+](C)CCC1CCCCCC1)Cc2c[nH]c3ccccc23
InChi:	InChI=1S/C26H43N3/c1-4-5-17-29(3)24(19-23-20-27-26-15-11-10-14-25(23)26)21-28(2)18-16-22-12-8-6-7-9-13-22/h10-11,14-15,20,22,24,27H,4-9,12-13,16-19,21H2,1-3H3/p+2/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium

HUN

HUN
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
Formula:	C24 H38 N3 O
SMILES:	CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

HUQ

HUQ
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
Formula:	C26 H42 N3 O
SMILES:	CCCC[N+](C)(C)[CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C26H41N3O/c1-4-5-18-29(2,3)25(19-22-20-28-24-15-11-10-14-23(22)24)26(30)27-17-16-21-12-8-6-7-9-13-21/h10-11,14-15,20-21,25,28H,4-9,12-13,16-19H2,1-3H3/p+1/t25-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

HUT

HUT
Name:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H39 N3 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3
InChi:	InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide

H3G

H3G
Name:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone
Formula:	C16 H23 N O
SMILES:	N1(CCC(CC1)C(C)(C)C)C(=O)c2ccccc2
InChi:	InChI=1S/C16H23NO/c1-16(2,3)14-9-11-17(12-10-14)15(18)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(4-tert-butylpiperidin-1-yl)(phenyl)methanone

HUV

HUV
Name:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate
Formula:	C15 H20 N O14 P3
SMILES:	O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC
InChi:	InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate

H3J

H3J
Name:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one
Formula:	C11 H9 N O2
SMILES:	n2cccc(OC=1C(C=CC=1C)=O)c2
InChi:	InChI=1S/C11H9NO2/c1-8-4-5-10(13)11(8)14-9-3-2-6-12-7-9/h2-7H,1H3
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3-methyl-2-[(pyridin-3-yl)oxy]cyclopenta-2,4-dien-1-one

HUZ

HUZ
Name:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H40 N4 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C
InChi:	InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide

HV2

HV2
Name:	1,1-bis(oxidanylidene)thietan-3-ol
Formula:	C3 H6 O3 S
SMILES:	OC1C[S](=O)(=O)C1
InChi:	InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1,1-bis(oxidanylidene)thietan-3-ol

H3V

H3V
Name:	N-(1,2-oxazol-3-yl)-2-phenylacetamide
Formula:	C11 H10 N2 O2
SMILES:	N(C(Cc1ccccc1)=O)c2ccon2
InChi:	InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-(1,2-oxazol-3-yl)-2-phenylacetamide

H3Y

H3Y
Name:	(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol
Formula:	C15 H20 N2 O
SMILES:	N1C3CC2C1(CNC2)C(O)CC3c4ccccc4
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,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

HVE

HVE
Name:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
Formula:	C12 H18 N5
SMILES:	[NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23
InChi:	InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium

H47

H47
Name:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide
Formula:	C12 H12 N2 O3
SMILES:	N(C(Cc1cccc(OC)c1)=O)c2ccon2
InChi:	InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15)
Definition date:	2018-06-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide

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

HVQ

HVQ
Name:	thiophen-3-ylmethylazanium
Formula:	C5 H8 N S
SMILES:	[NH3+]Cc1cscc1
InChi:	InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1
Definition date:	2018-12-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	thiophen-3-ylmethylazanium

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

HY8

HY8
Name:	(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid
Formula:	C27 H38 N12 O9
SMILES:	N[CH](CCN(CCCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C27H38N12O9/c28-12(27(45)46)2-5-37(6-13-17(41)19(43)25(47-13)38-10-35-15-21(29)31-8-33-23(15)38)4-1-3-30-22-16-24(34-9-32-22)39(11-36-16)26-20(44)18(42)14(7-40)48-26/h8-14,17-20,25-26,40-44H,1-7,28H2,(H,45,46)(H2,29,31,33)(H,30,32,34)/t12-,13-,14-,17+,18+,19+,20+,25+,26-/m0/s1
Definition date:	2019-01-03
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid

HZ2

HZ2
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid
Formula:	C26 H36 N12 O9
SMILES:	N[CH](CCN(CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C(O)=O
InChi:	InChI=1S/C26H36N12O9/c27-11(26(44)45)1-3-36(5-12-16(40)18(42)24(46-12)37-9-34-14-20(28)30-7-32-22(14)37)4-2-29-21-15-23(33-8-31-21)38(10-35-15)25-19(43)17(41)13(6-39)47-25/h7-13,16-19,24-25,39-43H,1-6,27H2,(H,44,45)(H2,28,30,32)(H,29,31,33)/t11-,12+,13+,16+,17+,18+,19+,24+,25+/m0/s1
Definition date:	2019-01-04
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid

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