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JWB

JWB
Name:	2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid
Formula:	C11 H13 N O4
SMILES:	OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O
InChi:	InChI=1S/C11H13NO4/c13-7(14)4-12-10(15)8-5-1-2-6(3-5)9(8)11(12)16/h5-6,8-9H,1-4H2,(H,13,14)/t5-,6+,8-,9+
Definition date:	2019-04-05
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid

Y17

Y17
Name:	5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
Formula:	C18 H21 N3 O2
SMILES:	CN4C(CC(CCn3c1c(cccc1)c2C(NCCc23)=O)C4)=O
InChi:	InChI=1S/C18H21N3O2/c1-20-11-12(10-16(20)22)7-9-21-14-5-3-2-4-13(14)17-15(21)6-8-19-18(17)23/h2-5,12H,6-11H2,1H3,(H,19,23)/t12-/m1/s1
Definition date:	2019-07-12
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	5-{2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]ethyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one

Y18

Y18
Name:	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
Formula:	C17 H19 N3 O2
SMILES:	C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4
InChi:	InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1
Definition date:	2019-07-12
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one

UZ0

UZ0
Name:	2'-azido-2'-deoxyuridine
Formula:	C9 H11 N5 O5
SMILES:	N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
InChi:	InChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2019-01-21
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2'-azido-2'-deoxyuridine

K6M

K6M
Name:	N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide
Formula:	C15 H21 F3 N2 O
SMILES:	N(CCCNC(C)(C)C)C(c1cc(ccc1)C(F)(F)F)=O
InChi:	InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-5-8-19-13(21)11-6-4-7-12(10-11)15(16,17)18/h4,6-7,10,20H,5,8-9H2,1-3H3,(H,19,21)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-(trifluoromethyl)benzamide

K6P

K6P
Name:	N-[3-(tert-butylamino)propyl]-3-iodobenzamide
Formula:	C14 H21 I N2 O
SMILES:	N(C(c1cc(ccc1)I)=O)CCCNC(C)(C)C
InChi:	InChI=1S/C14H21IN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-iodobenzamide

K6S

K6S
Name:	N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
Formula:	C17 H28 N2 O
SMILES:	N(CCCNC(C)(C)C)C(c1cc(C(C)C)ccc1)=O
InChi:	InChI=1S/C17H28N2O/c1-13(2)14-8-6-9-15(12-14)16(20)18-10-7-11-19-17(3,4)5/h6,8-9,12-13,19H,7,10-11H2,1-5H3,(H,18,20)
Definition date:	2018-11-01
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide

KDQ

KDQ
Name:	(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide
Formula:	C22 H26 Cl N3 O5 S
SMILES:	OCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)Cc3ccccc3
InChi:	InChI=1S/C22H26ClN3O5S/c23-19-9-8-17(14-27)18(11-19)12-24-22(29)20-7-4-10-26(20)21(28)13-25-32(30,31)15-16-5-2-1-3-6-16/h1-3,5-6,8-9,11,20,25,27H,4,7,10,12-15H2,(H,24,29)/t20-/m0/s1
Definition date:	2019-05-14
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	(2~{S})-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidine-2-carboxamide

KDY

KDY
Name:	2-(1H-indol-4-yl)ethan-1-amine
Formula:	C10 H12 N2
SMILES:	C(Cc2c1ccnc1ccc2)N
InChi:	InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
Definition date:	2018-11-27
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-(1H-indol-4-yl)ethan-1-amine

JBG

JBG
Name:	N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine
Formula:	C23 H27 Cl2 N3 O5
SMILES:	C1CN(CCN1C)CCOc3c(cc(C(=O)NC(Cc2ccccc2)C(O)=O)c(O)c3Cl)Cl
InChi:	InChI=1S/C23H27Cl2N3O5/c1-27-7-9-28(10-8-27)11-12-33-21-17(24)14-16(20(29)19(21)25)22(30)26-18(23(31)32)13-15-5-3-2-4-6-15/h2-6,14,18,29H,7-13H2,1H3,(H,26,30)(H,31,32)/t18-/m0/s1
Definition date:	2018-08-28
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzene-1-carbonyl}-L-phenylalanine

KT2

KT2
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
Formula:	C21 H25 N9 O13 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6ccc7c(N)ncnc67
InChi:	InChI=1S/C21H25N9O13P2/c22-15-7-1-2-29(16(7)25-5-24-15)19-12(32)13-9(41-19)4-39-45(36,37)43-14-11(31)8(3-38-44(34,35)42-13)40-20(14)30-6-26-10-17(30)27-21(23)28-18(10)33/h1-2,5-6,8-9,11-14,19-20,31-32H,3-4H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,27,28,33)/t8-,9-,11-,12-,13-,14-,19-,20-/m1/s1
Definition date:	2019-06-20
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one

KT8

KT8
Name:	2'3'-cyclic-GMP-2'F-2'dAMP
Formula:	C20 H23 F N10 O12 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C20H23FN10O12P2/c21-8-12-7(41-18(8)30-4-26-9-14(22)24-3-25-15(9)30)2-39-45(36,37)43-13-11(32)6(1-38-44(34,35)42-12)40-19(13)31-5-27-10-16(31)28-20(23)29-17(10)33/h3-8,11-13,18-19,32H,1-2H2,(H,34,35)(H,36,37)(H2,22,24,25)(H3,23,28,29,33)/t6-,7-,8-,11-,12-,13-,18-,19-/m1/s1
Definition date:	2019-06-20
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-2-azanyl-1~{H}-purin-6-one

KUW

KUW
Name:	2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
Formula:	C24 H27 Cl N4 O5 S
SMILES:	CC(C)N1C(=O)C(=C(c2ccccc2)[S]1(=O)=O)NC3CCN(CC3)c4ncc(CC(O)=O)cc4Cl
InChi:	InChI=1S/C24H27ClN4O5S/c1-15(2)29-24(32)21(22(35(29,33)34)17-6-4-3-5-7-17)27-18-8-10-28(11-9-18)23-19(25)12-16(14-26-23)13-20(30)31/h3-7,12,14-15,18,27H,8-11,13H2,1-2H3,(H,30,31)
Definition date:	2019-06-28
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid

KUY

KUY
Name:	5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Formula:	C20 H23 F2 N7 O S
SMILES:	n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N)C
InChi:	InChI=1S/C20H23F2N7OS/c1-28-20(29-8-3-4-11(23)7-9-29)14(10-25-28)26-18(30)16-17(24)31-19(27-16)15-12(21)5-2-6-13(15)22/h2,5-6,10-11H,3-4,7-9,23-24H2,1H3,(H,26,30)/t11-/m0/s1
Definition date:	2019-01-17
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

KVB

KVB
Name:	2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
Formula:	C32 H24 F3 N O3
SMILES:	OC(=O)Cc1ccc(COc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)(F)F)cc1
InChi:	InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
Definition date:	2019-06-29
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid

KVK

KVK
Name:	6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
Formula:	C21 H28 N4 O5 S2
SMILES:	CC(C)N1[CH](O)C(=C(c2ccccc2)[S]1(=O)=O)NCCCCc3cccc(n3)[S](N)(=O)=O
InChi:	InChI=1S/C21H28N4O5S2/c1-15(2)25-21(26)19(20(32(25,29)30)16-9-4-3-5-10-16)23-14-7-6-11-17-12-8-13-18(24-17)31(22,27)28/h3-5,8-10,12-13,15,21,23,26H,6-7,11,14H2,1-2H3,(H2,22,27,28)/t21-/m0/s1
Definition date:	2019-06-29
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide

KVM

KVM
Name:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
Formula:	C4 H6 N O6 P
SMILES:	OP(O)(=O)C1CC(N(O)C1=O)=O
InChi:	InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1
Definition date:	2019-01-18
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid

L5B

L5B
Name:	6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid
Formula:	C31 H30 Cl2 F N O3
SMILES:	OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1
InChi:	InChI=1S/C31H30Cl2FNO3/c32-23-8-12-27(29(33)18-23)28-4-1-3-21-17-22(31(36)37)7-11-26(21)30(28)20-5-9-24(10-6-20)38-25-13-16-35(19-25)15-2-14-34/h5-12,17-18,25H,1-4,13-16,19H2,(H,36,37)/t25-/m0/s1
Definition date:	2019-07-22
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid

MVE

MVE
Name:	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
Formula:	C30 H40 N6 O2
SMILES:	CCOC1(CCN(CC1)C(C)C)c2ccc(nc2)c3cn4nccc(N5CCN(CC5)C(=O)C6CC6)c4c3
InChi:	InChI=1S/C30H40N6O2/c1-4-38-30(10-13-33(14-11-30)22(2)3)25-7-8-26(31-20-25)24-19-28-27(9-12-32-36(28)21-24)34-15-17-35(18-16-34)29(37)23-5-6-23/h7-9,12,19-23H,4-6,10-11,13-18H2,1-3H3
Definition date:	2019-10-24
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	cyclopropyl-[4-[6-[5-(4-ethoxy-1-propan-2-yl-piperidin-4-yl)pyridin-2-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone

NKJ

NKJ
Name:	(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one
Formula:	C19 H19 N5 O2
SMILES:	c3cc4NC(=O)c1ccccc1OCCCC(C)n2c(nnc2)c(c3)n4
InChi:	InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1
Definition date:	2019-05-16
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	(19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one

OVM

OVM
Name:	3-methoxybenzoic acid
Formula:	C8 H8 O3
SMILES:	C(O)(c1cccc(c1)OC)=O
InChi:	InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
Definition date:	2019-07-09
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-methoxybenzoic acid

OVP

OVP
Name:	3-(methylsulfanyl)benzoic acid
Formula:	C8 H8 O2 S
SMILES:	CSc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H8O2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
Definition date:	2019-07-09
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-(methylsulfanyl)benzoic acid

OW4

OW4
Name:	3-(methylamino)benzoic acid
Formula:	C8 H9 N O2
SMILES:	CNc1cccc(c1)C(O)=O
InChi:	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-(methylamino)benzoic acid

OW7

OW7
Name:	3-ethoxybenzoic acid
Formula:	C9 H10 O3
SMILES:	C(c1cccc(c1)OCC)(O)=O
InChi:	InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	3-ethoxybenzoic acid

OWA

OWA
Name:	methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate
Formula:	C8 H13 N O3
SMILES:	C1(N(C)CC(CC(OC)=O)C1)=O
InChi:	InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1
Definition date:	2019-07-11
Last modified:	2019-11-22
Release date:	2019-11-27
Identifier:	methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate

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