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QH4

QH4
Name:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile
Formula:	C32 H39 N7 O2
SMILES:	C(C#N)C1CN(CCN1C(=O)CC)c2nc(nc3CN(CCc23)c4c5c(ccc4)cccc5)OCC6CCCN6C
InChi:	InChI=1S/C32H39N7O2/c1-3-30(40)39-19-18-38(20-24(39)13-15-33)31-27-14-17-37(29-12-6-9-23-8-4-5-11-26(23)29)21-28(27)34-32(35-31)41-22-25-10-7-16-36(25)2/h4-6,8-9,11-12,24-25H,3,7,10,13-14,16-22H2,1-2H3/t24-,25-/m0/s1
Definition date:	2019-11-01
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	{(2S)-4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-propanoylpiperazin-2-yl}acetonitrile

M1R

M1R
Name:	1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
Formula:	C30 H38 N6 O2
SMILES:	c5(N2Cc3nc(nc(N1CCN(CC1)C(CC)=O)c3CC2)OCC4N(C)CCC4)cccc6c5cccc6
InChi:	InChI=1S/C30H38N6O2/c1-3-28(37)34-16-18-35(19-17-34)29-25-13-15-36(27-12-6-9-22-8-4-5-11-24(22)27)20-26(25)31-30(32-29)38-21-23-10-7-14-33(23)2/h4-6,8-9,11-12,23H,3,7,10,13-21H2,1-2H3/t23-/m0/s1
Definition date:	2019-10-31
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one

M1X

M1X
Name:	{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
Formula:	C32 H37 Cl F N7 O2
SMILES:	n2c(N1CCN(C(C(C)F)=O)C(C1)CC#N)c4CCN(Cc4nc2OCC3N(C)CCC3)c5cccc6c5c(ccc6)Cl
InChi:	InChI=1S/C32H37ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,21,23-24H,5,8,11-12,14-20H2,1-2H3/t21-,23-,24-/m0/s1
Definition date:	2019-11-01
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	{(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile

D8M

D8M
Name:	2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide
Formula:	C13 H19 N3 O4
SMILES:	OC2C(CC(=O)NCc1ccccn1)OC(C2O)CN
InChi:	InChI=1S/C13H19N3O4/c14-6-10-13(19)12(18)9(20-10)5-11(17)16-7-8-3-1-2-4-15-8/h1-4,9-10,12-13,18-19H,5-7,14H2,(H,16,17)/t9-,10+,12-,13+/m0/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide (non-preferred name)

D8P

D8P
Name:	[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
Formula:	C12 H19 N3 O
SMILES:	c21CNCCC(N(c1nc(cc2)C)C)CO
InChi:	InChI=1S/C12H19N3O/c1-9-3-4-10-7-13-6-5-11(8-16)15(2)12(10)14-9/h3-4,11,13,16H,5-8H2,1-2H3/t11-/m0/s1
Definition date:	2017-10-23
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

NT2

NT2
Name:	2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE
Formula:	C6 H12 O18 S4
SMILES:	O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6-5(24-28(17,18)19)4(23-27(14,15)16)3(22-26(11,12)13)2(21-6)1-20-25(8,9)10/h2-7H,1H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2004-04-20
Last modified:	2020-04-13
Identifier:	2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranose

U0M

U0M
Name:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine
Formula:	C9 H12 F N3 S
SMILES:	C=1CCN(CC=1F)Cc2nnc(C)s2
InChi:	InChI=1S/C9H12FN3S/c1-7-11-12-9(14-7)6-13-4-2-3-8(10)5-13/h3H,2,4-6H2,1H3
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine

U1D

U1D
Name:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
Formula:	C11 H14 N2 O2 S
SMILES:	N(NC(C)=O)C(c2cc1CCCCc1s2)=O
InChi:	InChI=1S/C11H14N2O2S/c1-7(14)12-13-11(15)10-6-8-4-2-3-5-9(8)16-10/h6H,2-5H2,1H3,(H,12,14)(H,13,15)
Definition date:	2020-04-08
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

SXG

SXG
Name:	2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
Formula:	C12 H3 F9 N2 O4 S2
SMILES:	N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChi:	InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
Definition date:	2019-07-26
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide

KFH

KFH
Name:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C6 H3 F4 N O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
InChi:	InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
Definition date:	2019-05-20
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

KGK

KGK
Name:	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
Formula:	C7 H5 F4 N O2 S
SMILES:	Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14)
Definition date:	2019-05-21
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide

KJ5

KJ5
Name:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
Formula:	C8 H7 F4 N O2 S
SMILES:	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)
Definition date:	2019-05-22
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

QBP

QBP
Name:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
Formula:	C8 H5 F3 N4
SMILES:	C(F)(F)(c2ccc(c1nnnn1)cc2)F
InChi:	InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
Definition date:	2019-10-10
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	5-[4-(trifluoromethyl)phenyl]-1H-tetrazole

OS8

OS8
Name:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
Formula:	C24 H30 N4 O3
SMILES:	COc1ccc2CCCN(CCCNC(=O)c3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C24H30N4O3/c1-16-14-22(29)27-20-8-3-7-19(23(20)26-16)24(30)25-11-5-13-28-12-4-6-17-9-10-18(31-2)15-21(17)28/h3,7-10,15-16,26H,4-6,11-14H2,1-2H3,(H,25,30)(H,27,29)/t16-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

OSN

OSN
Name:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
Formula:	C25 H31 N3 O2
SMILES:	COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1
InChi:	InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1
Definition date:	2020-04-01
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	(4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

L1Q

L1Q
Name:	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
Formula:	C9 H9 F4 N O2 S
SMILES:	CCCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:	InChI=1S/C9H9F4NO2S/c1-2-3-4-5(10)7(12)9(17(14,15)16)8(13)6(4)11/h2-3H2,1H3,(H2,14,15,16)
Definition date:	2019-07-13
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide

L2K

L2K
Name:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
Formula:	C11 H10 F2 N4
SMILES:	Fc1ccc(cc1F)C2=NNC3=NCCN3C2
InChi:	InChI=1S/C11H10F2N4/c12-8-2-1-7(5-9(8)13)10-6-17-4-3-14-11(17)16-15-10/h1-2,5H,3-4,6H2,(H,14,16)
Definition date:	2019-07-16
Last modified:	2020-04-10
Release date:	2020-04-15
Identifier:	3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine

RGD

RGD
Name:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
Formula:	C14 H23 N O4
SMILES:	C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO
InChi:	InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone

RH7

RH7
Name:	methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
Formula:	C13 H15 N3 O3
SMILES:	c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4
InChi:	InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1
Definition date:	2020-02-12
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate

RK1

RK1
Name:	(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide
Formula:	C17 H25 N3 O
SMILES:	C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C
InChi:	InChI=1S/C17H25N3O/c1-3-17(10-11-18-12-13-20(17)4-2)16(21)19-14-15-8-6-5-7-9-15/h5-9,11H,3-4,10,12-14H2,1-2H3,(H,19,21)/t17-/m1/s1
Definition date:	2020-02-13
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide

R7V

R7V
Name:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
Formula:	C30 H29 F8 N O5 S
SMILES:	c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F
InChi:	InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
Definition date:	2020-02-06
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid

KW8

KW8
Name:	(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C13 H16 N2
SMILES:	CC[CH]1NCCc2c1[nH]c3ccccc23
InChi:	InChI=1S/C13H16N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-6,11,14-15H,2,7-8H2,1H3/t11-/m0/s1
Definition date:	2019-07-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1~{S})-1-ethyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

KWH

KWH
Name:	(1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C14 H18 N2
SMILES:	CCC[CH]1NCCc2c1[nH]c3ccccc23
InChi:	InChI=1S/C14H18N2/c1-2-5-13-14-11(8-9-15-13)10-6-3-4-7-12(10)16-14/h3-4,6-7,13,15-16H,2,5,8-9H2,1H3/t13-/m0/s1
Definition date:	2019-07-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1~{S})-1-propyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

KWQ

KWQ
Name:	(1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C15 H20 N2
SMILES:	CC(C)C[CH]1NCCc2c1[nH]c3ccccc23
InChi:	InChI=1S/C15H20N2/c1-10(2)9-14-15-12(7-8-16-14)11-5-3-4-6-13(11)17-15/h3-6,10,14,16-17H,7-9H2,1-2H3/t14-/m0/s1
Definition date:	2019-07-02
Last modified:	2020-04-03
Release date:	2020-04-08
Identifier:	(1~{S})-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

P1J

P1J
Name:	N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine
Formula:	C8 H9 N3 O5
SMILES:	C(C(O)=O)CNC(C=1NC(=O)NC(C=1)=O)=O
InChi:	InChI=1S/C8H9N3O5/c12-5-3-4(10-8(16)11-5)7(15)9-2-1-6(13)14/h3H,1-2H2,(H,9,15)(H,13,14)(H2,10,11,12,16)
Definition date:	2019-07-23
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alanine

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