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O9D

O9D
Name:	5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
Formula:	C16 H17 F N2 O4 S
SMILES:	c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C
InChi:	InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide

O9G

O9G
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
Formula:	C17 H15 F N4 O3 S
SMILES:	c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2ccccc2)(=O)=O)ncc3
InChi:	InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide

O9P

O9P
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
Formula:	C17 H17 F N2 O4 S
SMILES:	[C@H](=C)COc2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F
InChi:	InChI=1S/C17H17FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h3-8,10-11,20H,1,9H2,2H3,(H,19,21)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide

O9S

O9S
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
Formula:	C17 H19 F N2 O4 S
SMILES:	C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O
InChi:	InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide

O9V

O9V
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
Formula:	C17 H19 F N2 O4 S
SMILES:	C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O
InChi:	InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide

O9Y

O9Y
Name:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide
Formula:	C16 H14 F N5 O3 S
SMILES:	c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O)=O)ccccc3
InChi:	InChI=1S/C16H14FN5O3S/c1-11-9-12(22-18-7-8-19-22)10-14(15(11)17)16(23)20-21-26(24,25)13-5-3-2-4-6-13/h2-10,21H,1H3,(H,20,23)
Definition date:	2019-06-19
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide

OJQ

OJQ
Name:	[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium
Formula:	C11 H15 N3 O7 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C[NH2+]c2conc2O)c1O
InChi:	InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)/p+1
Definition date:	2020-03-16
Last modified:	2020-03-27
Release date:	2020-04-01
Identifier:	[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl-(3-oxidanyl-1,2-oxazol-4-yl)azanium

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

SZY

SZY
Name:	N-(4-methylpyridin-3-yl)acetamide
Formula:	C8 H10 N2 O
SMILES:	c1(ccncc1NC(C)=O)C
InChi:	InChI=1S/C8H10N2O/c1-6-3-4-9-5-8(6)10-7(2)11/h3-5H,1-2H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-methylpyridin-3-yl)acetamide

T0J

T0J
Name:	N~1~-phenylpiperidine-1,4-dicarboxamide
Formula:	C13 H17 N3 O2
SMILES:	C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O
InChi:	InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N~1~-phenylpiperidine-1,4-dicarboxamide

T0V

T0V
Name:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine
Formula:	C12 H12 F N O
SMILES:	c2(CNCc1cc(F)ccc1)occc2
InChi:	InChI=1S/C12H12FNO/c13-11-4-1-3-10(7-11)8-14-9-12-5-2-6-15-12/h1-7,14H,8-9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine

T0Y

T0Y
Name:	1-[(thiophen-3-yl)methyl]piperidin-4-ol
Formula:	C10 H15 N O S
SMILES:	C1CN(CCC1O)Cc2cscc2
InChi:	InChI=1S/C10H15NOS/c12-10-1-4-11(5-2-10)7-9-3-6-13-8-9/h3,6,8,10,12H,1-2,4-5,7H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-[(thiophen-3-yl)methyl]piperidin-4-ol

T1J

T1J
Name:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol
Formula:	C14 H13 N3 O
SMILES:	c3(NCc1c(O)cccc1)nc2ccccc2n3
InChi:	InChI=1S/C14H13N3O/c18-13-8-4-1-5-10(13)9-15-14-16-11-6-2-3-7-12(11)17-14/h1-8,18H,9H2,(H2,15,16,17)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol

T1M

T1M
Name:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol
Formula:	C13 H19 N O
SMILES:	c2(CN1C(C)C(CCC1)O)ccccc2
InChi:	InChI=1S/C13H19NO/c1-11-13(15)8-5-9-14(11)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11-,13+/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol

T1S

T1S
Name:	4-[(3-chlorophenyl)methyl]morpholine
Formula:	C11 H14 Cl N O
SMILES:	C1CN(CCO1)Cc2cccc(Cl)c2
InChi:	InChI=1S/C11H14ClNO/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	4-[(3-chlorophenyl)methyl]morpholine

QNA

QNA
Name:	(1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid
Formula:	C10 H9 B F O5
SMILES:	OC(=O)c1c(F)ccc2[CH]3C[CH]3[B-](O)(O)Oc12
InChi:	InChI=1S/C10H9BFO5/c12-7-2-1-4-5-3-6(5)11(15,16)17-9(4)8(7)10(13)14/h1-2,5-6,15-16H,3H2,(H,13,14)/q-1/t5-,6-/m1/s1
Definition date:	2019-11-24
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(2~{S},4~{R})-9-fluoranyl-5,5-bis(oxidanyl)-6-oxa-5-boranuidatricyclo[5.4.0.0^{2,4}]undeca-1(11),7,9-triene-8-carboxylic acid

X77

X77
Name:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
Formula:	C27 H33 N5 O2
SMILES:	C(=O)(N(C(c1cccnc1)C(NC2CCCCC2)=O)c3ccc(C(C)(C)C)cc3)c4cncn4
InChi:	InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m1/s1
Definition date:	2020-03-17
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide

T54

T54
Name:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide
Formula:	C10 H13 N O S
SMILES:	c1c(csc1)C2C(C(N)=O)CCC2
InChi:	InChI=1S/C10H13NOS/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H2,11,12)/t8-,9-/m1/s1
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide

T5D

T5D
Name:	[1-(pyridin-2-yl)cyclopentyl]methanol
Formula:	C11 H15 N O
SMILES:	c1ccc(nc1)C2(CCCC2)CO
InChi:	InChI=1S/C11H15NO/c13-9-11(6-2-3-7-11)10-5-1-4-8-12-10/h1,4-5,8,13H,2-3,6-7,9H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[1-(pyridin-2-yl)cyclopentyl]methanol

T5G

T5G
Name:	4-bromobenzene-1-sulfonamide
Formula:	C6 H6 Br N O2 S
SMILES:	c1c(ccc(c1)Br)S(N)(=O)=O
InChi:	InChI=1S/C6H6BrNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	4-bromobenzene-1-sulfonamide

T5V

T5V
Name:	pyrimidin-5-amine
Formula:	C4 H5 N3
SMILES:	n1cncc(N)c1
InChi:	InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	pyrimidin-5-amine

T5Y

T5Y
Name:	pyridin-2-ol
Formula:	C5 H5 N O
SMILES:	c1nc(O)ccc1
InChi:	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	pyridin-2-ol

T67

T67
Name:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one
Formula:	C14 H18 N4 O
SMILES:	N1(CCN(CC1)C(=O)Cc2cnc3ncccc23)C
InChi:	InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)13(19)9-11-10-16-14-12(11)3-2-4-15-14/h2-4,10H,5-9H2,1H3,(H,15,16)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one

T6J

T6J
Name:	2-[(methylsulfonyl)methyl]-1H-benzimidazole
Formula:	C9 H10 N2 O2 S
SMILES:	n1c(nc2ccccc12)CS(C)(=O)=O
InChi:	InChI=1S/C9H10N2O2S/c1-14(12,13)6-9-10-7-4-2-3-5-8(7)11-9/h2-5H,6H2,1H3,(H,10,11)
Definition date:	2020-03-16
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	2-[(methylsulfonyl)methyl]-1H-benzimidazole

Y35

Y35
Name:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)
Formula:	C44 H46 B N4 O5
SMILES:	O=C(N2CCC(c1cc(ccc1)CN)CC2)c3cccc(c3)c4cc(ccc4)[B-]5(Oc6c(O5)cc(cc6)C(=O)N7CCC(CC7)c8cc(ccc8)CN)O
InChi:	InChI=1S/C44H46BN4O5/c46-28-30-5-1-7-34(23-30)32-15-19-48(20-16-32)43(50)38-11-3-9-36(25-38)37-10-4-12-40(26-37)45(52)53-41-14-13-39(27-42(41)54-45)44(51)49-21-17-33(18-22-49)35-8-2-6-31(24-35)29-47/h1-14,23-27,32-33,52H,15-22,28-29,46-47H2/q-1/t45-/m1/s1
Definition date:	2019-05-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-)

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