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S4Y

S4Y
Name:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide
Formula:	C11 H13 Cl N2 O2
SMILES:	c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2
InChi:	InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide

S5A

S5A
Name:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
Formula:	C15 H14 O3
SMILES:	OC(=O)CCc1ccc(cc1)c2ccc(O)cc2
InChi:	InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-[4-(4-hydroxyphenyl)phenyl]propanoic acid

S5G

S5G
Name:	(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione
Formula:	C6 H12 N2 O S2
SMILES:	CN1C(=S)S[CH](NO)C1(C)C
InChi:	InChI=1S/C6H12N2OS2/c1-6(2)4(7-9)11-5(10)8(6)3/h4,7,9H,1-3H3/t4-/m1/s1
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(5~{R})-3,4,4-trimethyl-5-(oxidanylamino)-1,3-thiazolidine-2-thione

S64

S64
Name:	(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine
Formula:	C14 H17 N O S
SMILES:	COc1ccc(cc1)C2=NCC[CH]3SCC[CH]23
InChi:	InChI=1S/C14H17NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,12-13H,6-9H2,1H3/t12-,13+/m0/s1
Definition date:	2020-03-04
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{a}~{R},7~{a}~{R})-4-(4-methoxyphenyl)-2,3,3~{a},6,7,7~{a}-hexahydrothieno[3,2-c]pyridine

S7A

S7A
Name:	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one
Formula:	C7 H11 F3 N2 O
SMILES:	FC(F)(F)CC(=O)N1CCNCC1
InChi:	InChI=1S/C7H11F3N2O/c8-7(9,10)5-6(13)12-3-1-11-2-4-12/h11H,1-5H2
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3,3,3-tris(fluoranyl)-1-piperazin-1-yl-propan-1-one

S7G

S7G
Name:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide
Formula:	C11 H14 N2 O
SMILES:	CC(=O)N[CH]1CNc2ccccc2C1
InChi:	InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide

S7J

S7J
Name:	2-(trifluoromethyl)pyrimidine-5-carboxamide
Formula:	C6 H4 F3 N3 O
SMILES:	NC(=O)c1cnc(nc1)C(F)(F)F
InChi:	InChI=1S/C6H4F3N3O/c7-6(8,9)5-11-1-3(2-12-5)4(10)13/h1-2H,(H2,10,13)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(trifluoromethyl)pyrimidine-5-carboxamide

S7S

S7S
Name:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide
Formula:	C7 H13 N5 O
SMILES:	CCCC(=O)Nc1nnn(CC)n1
InChi:	InChI=1S/C7H13N5O/c1-3-5-6(13)8-7-9-11-12(4-2)10-7/h3-5H2,1-2H3,(H,8,10,13)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide

SNQ

SNQ
Name:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
Formula:	C11 H9 N3
SMILES:	Nc1ccc(n2cccc2)c(c1)C#N
InChi:	InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2
Definition date:	2011-07-11
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile

S8G

S8G
Name:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one
Formula:	C9 H15 F3 N2 O
SMILES:	N[CH]1CCCN(C1)C(=O)CCC(F)(F)F
InChi:	InChI=1S/C9H15F3N2O/c10-9(11,12)4-3-8(15)14-5-1-2-7(13)6-14/h7H,1-6,13H2/t7-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one

S8J

S8J
Name:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
Formula:	C11 H13 N5 O2
SMILES:	CCOc1cccc(c1)C(=O)Nc2nnn(C)n2
InChi:	InChI=1S/C11H13N5O2/c1-3-18-9-6-4-5-8(7-9)10(17)12-11-13-15-16(2)14-11/h4-7H,3H2,1-2H3,(H,12,14,17)
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	3-ethoxy-~{N}-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide

S8P

S8P
Name:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide
Formula:	C10 H14 N2 O2 S
SMILES:	Cc1snc(c1)C(=O)NC[CH]2CCCO2
InChi:	InChI=1S/C10H14N2O2S/c1-7-5-9(12-15-7)10(13)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H,11,13)/t8-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]-1,2-thiazole-3-carboxamide

S8V

S8V
Name:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine
Formula:	C8 H15 N O
SMILES:	C1C[CH](CNC2CC2)CO1
InChi:	InChI=1S/C8H15NO/c1-2-8(1)9-5-7-3-4-10-6-7/h7-9H,1-6H2/t7-/m0/s1
Definition date:	2020-03-05
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[[(3~{S})-oxolan-3-yl]methyl]cyclopropanamine

S9D

S9D
Name:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine
Formula:	C13 H14 N4 O
SMILES:	C1C[CH](NN1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H14N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-5,7-8,12,16-17H,6,9H2/t12-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine

S9G

S9G
Name:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone
Formula:	C13 H20 N2 O3
SMILES:	O=C(C1CC1)N2CCN(CC2)C(=O)[CH]3CCCO3
InChi:	InChI=1S/C13H20N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h10-11H,1-9H2/t11-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	cyclopropyl-[4-[(2~{S})-oxolan-2-yl]carbonylpiperazin-1-yl]methanone

S9J

S9J
Name:	2-(2-methoxyphenoxy)ethanehydrazide
Formula:	C9 H12 N2 O3
SMILES:	COc1ccccc1OCC(=O)NN
InChi:	InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-(2-methoxyphenoxy)ethanehydrazide

S9M

S9M
Name:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol
Formula:	C9 H10 F2 N2 O
SMILES:	C2(c1c(O)c(cc(c1)F)F)NNCC2
InChi:	InChI=1S/C9H10F2N2O/c10-5-3-6(8-1-2-12-13-8)9(14)7(11)4-5/h3-4,8,12-14H,1-2H2
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2,4-difluoro-6-[(3S)-pyrazolidin-3-yl]phenol

S9P

S9P
Name:	2-methyl-1,3-benzoxazol-6-ol
Formula:	C8 H7 N O2
SMILES:	Cc1oc2cc(O)ccc2n1
InChi:	InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	2-methyl-1,3-benzoxazol-6-ol

S9S

S9S
Name:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 F N O2 S
SMILES:	C[S](=O)(=O)NCCc1ccc(F)cc1
InChi:	InChI=1S/C9H12FNO2S/c1-14(12,13)11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide

S9V

S9V
Name:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea
Formula:	C11 H15 Cl N2 O2
SMILES:	CC(C)(CO)NC(=O)Nc1ccc(Cl)cc1
InChi:	InChI=1S/C11H15ClN2O2/c1-11(2,7-15)14-10(16)13-9-5-3-8(12)4-6-9/h3-6,15H,7H2,1-2H3,(H2,13,14,16)
Definition date:	2020-03-06
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	1-(4-chlorophenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)urea

KE2

KE2
Name:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
Formula:	C19 H20 N2 O4
SMILES:	Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)ccc1O
InChi:	InChI=1S/C19H20N2O4/c1-11-8-13(4-7-17(11)23)10-16-19(25)20-15(18(24)21-16)9-12-2-5-14(22)6-3-12/h2-8,15-16,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t15-,16-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

KE5

KE5
Name:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
Formula:	C19 H20 N2 O4
SMILES:	Cc1cc(O)ccc1C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O
InChi:	InChI=1S/C19H20N2O4/c1-11-8-15(23)7-4-13(11)10-17-19(25)20-16(18(24)21-17)9-12-2-5-14(22)6-3-12/h2-8,16-17,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t16-,17-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(2-methyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

KEB

KEB
Name:	(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
Formula:	C20 H22 N2 O4
SMILES:	Cc1cc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc(C)c1O
InChi:	InChI=1S/C20H22N2O4/c1-11-7-14(8-12(2)18(11)24)10-17-20(26)21-16(19(25)22-17)9-13-3-5-15(23)6-4-13/h3-8,16-17,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t16-,17-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(3,5-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione

KEH

KEH
Name:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione
Formula:	C18 H17 I N2 O4
SMILES:	Oc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)c(I)c3)NC2=O)cc1
InChi:	InChI=1S/C18H17IN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione

KEQ

KEQ
Name:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
Formula:	C19 H20 N2 O4
SMILES:	COc1ccc(C[CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O)cc1
InChi:	InChI=1S/C19H20N2O4/c1-25-15-8-4-13(5-9-15)11-17-19(24)20-16(18(23)21-17)10-12-2-6-14(22)7-3-12/h2-9,16-17,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1
Definition date:	2019-05-15
Last modified:	2020-04-17
Release date:	2020-04-22
Identifier:	(3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(4-methoxyphenyl)methyl]piperazine-2,5-dione

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