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0IC

0IC
Name:	4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide
Formula:	C18 H23 N O6 S Se Te
SMILES:	COc1cc([Te]C[CH](O)C[Se]c2ccc(cc2)[S](N)(=O)=O)cc(OC)c1OC
InChi:	InChI=1S/C18H23NO6SSeTe/c1-23-16-8-15(9-17(24-2)18(16)25-3)28-11-12(20)10-27-14-6-4-13(5-7-14)26(19,21)22/h4-9,12,20H,10-11H2,1-3H3,(H2,19,21,22)/t12-/m0/s1
Synonyms:	4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	4-[(2~{S})-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide

0IG

0IG
Name:	~{N}-[4-[4-[(azanylidene-$l^{4}-azanylidene)amino]phenyl]-1,3-thiazol-2-yl]-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide
Formula:	C18 H16 N9 O3 S
SMILES:	CN1C(=O)N(C)c2ncn(CC(=O)Nc3scc(n3)c4ccc(cc4)N=[N+]=N)c2C1=O
InChi:	InChI=1S/C18H15N9O3S/c1-25-15-14(16(29)26(2)18(25)30)27(9-20-15)7-13(28)22-17-21-12(8-31-17)10-3-5-11(6-4-10)23-24-19/h3-6,8-9,19H,7H2,1-2H3/p+1
Definition date:	2021-06-07
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	azanylidene-[4-[2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-1,3-thiazol-4-yl]phenyl]imino-azanium

UQE

UQE
Name:	(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide
Formula:	C21 H20 N6 O5 S2
SMILES:	ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2
InChi:	InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1
Definition date:	2021-03-08
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide

USK

USK
Name:	(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide
Formula:	C23 H23 N5 O5 S2
SMILES:	ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4
InChi:	InChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1
Definition date:	2021-03-12
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide

0V1

0V1
Name:	(2~{S})-butane-1,2,4-triol
Formula:	C4 H10 O3
SMILES:	OCC[CH](O)CO
InChi:	InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1
Synonyms:	(S)-1,2,4-butanentriol
Definition date:	2021-06-09
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S})-butane-1,2,4-triol

P8C

P8C
Name:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H40 F2 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22+/m0/s1
Definition date:	2022-05-26
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

P8L

P8L
Name:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H42 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H40N3O8S/c1-14(2)10-19(27-24(31)35-13-17-11-18(17)15-6-4-3-5-7-15)22(29)26-20(23(30)36(32,33)34)12-16-8-9-25-21(16)28/h14-20,23,30H,3-13H2,1-2H3,(H3-2,25,26,27,28,29,31,32,33,34)/q-1/p+2/t16-,17+,18+,19-,20-,23+/m0/s1
Definition date:	2022-05-26
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

P8U

P8U
Name:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H42 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H40N3O8S/c1-14(2)10-19(27-24(31)35-13-17-11-18(17)15-6-4-3-5-7-15)22(29)26-20(23(30)36(32,33)34)12-16-8-9-25-21(16)28/h14-20,23,30H,3-13H2,1-2H3,(H3-2,25,26,27,28,29,31,32,33,34)/q-1/p+2/t16-,17+,18+,19-,20-,23-/m0/s1
Definition date:	2022-05-26
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

P9R

P9R
Name:	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C25 H42 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C25H40N3O8S/c1-15(2)10-20(28-25(32)36-14-19-12-18(19)11-16-6-4-3-5-7-16)23(30)27-21(24(31)37(33,34)35)13-17-8-9-26-22(17)29/h9,15-21,24,31H,3-8,10-14H2,1-2H3,(H2-2,27,28,30,32,33,34,35)/q-1/p+2/t17-,18-,19+,20-,21-,24+/m0/s1
Definition date:	2022-05-26
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

PJR

PJR
Name:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula:	C24 H40 F2 N3 O8 S
SMILES:	CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)(O)=O
InChi:	InChI=1S/C24H38F2N3O8S/c1-13(2)9-18(21(31)28-19(22(32)38(34,35)36)11-15-5-8-27-20(15)30)29-23(33)37-12-16-10-17(16)14-3-6-24(25,26)7-4-14/h13-19,22,32H,3-12H2,1-2H3,(H3-2,27,28,29,30,31,33,34,35,36)/q-1/p+2/t15-,16+,17+,18-,19-,22-/m0/s1
Definition date:	2022-05-26
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

C3U

C3U
Name:	1-chloranyl-2-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1ccccc1Cl
InChi:	InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
Synonyms:	1-Chloro-2-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-2-methyl-benzene

C4O

C4O
Name:	1-chloranyl-4-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1ccc(Cl)cc1
InChi:	InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Synonyms:	1-chloro-4-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-4-methyl-benzene

C4U

C4U
Name:	1-chloranyl-3-methyl-benzene
Formula:	C7 H7 Cl
SMILES:	Cc1cccc(Cl)c1
InChi:	InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
Synonyms:	1-chloro-3-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-chloranyl-3-methyl-benzene

C5O

C5O
Name:	1-bromanyl-4-methyl-benzene
Formula:	C7 H7 Br
SMILES:	Cc1ccc(Br)cc1
InChi:	InChI=1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Synonyms:	1-bromo-4-methylbenzene
Definition date:	2019-04-10
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	1-bromanyl-4-methyl-benzene

8IZ

8IZ
Name:	5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione
Formula:	C10 H14 N2 O6
SMILES:	CN1C=C([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O
InChi:	InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1
Definition date:	2021-12-17
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione

EMY

EMY
Name:	S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate
Formula:	C19 H16 Cl N3 O2 S
SMILES:	Clc1nc(NCc2ccc(O)cc2)cc(SC(=O)Cc2ccccc2)n1
InChi:	InChI=1S/C19H16ClN3O2S/c20-19-22-16(21-12-14-6-8-15(24)9-7-14)11-17(23-19)26-18(25)10-13-4-2-1-3-5-13/h1-9,11,24H,10,12H2,(H,21,22,23)
Definition date:	2021-12-09
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	S-(2-chloro-6-{[(4-hydroxyphenyl)methyl]amino}pyrimidin-4-yl) phenylethanethioate

09W

09W
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
Formula:	C21 H19 N3 O2 S
SMILES:	NC(=N)c1sc(CNC(=O)c2cccc3CCOc23)c(c1)c4ccccc4
InChi:	InChI=1S/C21H19N3O2S/c22-20(23)17-11-16(13-5-2-1-3-6-13)18(27-17)12-24-21(25)15-8-4-7-14-9-10-26-19(14)15/h1-8,11H,9-10,12H2,(H3,22,23)(H,24,25)
Definition date:	2021-06-03
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

0B7

0B7
Name:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide
Formula:	C21 H18 N4 O S
SMILES:	NC(=N)c1sc(CNC(=O)c2ccc3cc[nH]c3c2)c(c1)c4ccccc4
InChi:	InChI=1S/C21H18N4OS/c22-20(23)18-11-16(13-4-2-1-3-5-13)19(27-18)12-25-21(26)15-7-6-14-8-9-24-17(14)10-15/h1-11,24H,12H2,(H3,22,23)(H,25,26)
Definition date:	2021-06-03
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-1~{H}-indole-6-carboxamide

0BL

0BL
Name:	(2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
Formula:	C22 H21 N3 O2 S
SMILES:	C[CH]1[CH](Oc2ccccc12)C(=O)NCc3sc(cc3c4ccccc4)C(N)=N
InChi:	InChI=1S/C22H21N3O2S/c1-13-15-9-5-6-10-17(15)27-20(13)22(26)25-12-19-16(11-18(28-19)21(23)24)14-7-3-2-4-8-14/h2-11,13,20H,12H2,1H3,(H3,23,24)(H,25,26)/t13-,20-/m0/s1
Definition date:	2021-06-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	(2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

0BS

0BS
Name:	2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide
Formula:	C21 H19 N3 O3 S
SMILES:	NC(=N)c1sc(CNC(=O)Cc2ccc3OCOc3c2)c(c1)c4ccccc4
InChi:	InChI=1S/C21H19N3O3S/c22-21(23)18-10-15(14-4-2-1-3-5-14)19(28-18)11-24-20(25)9-13-6-7-16-17(8-13)27-12-26-16/h1-8,10H,9,11-12H2,(H3,22,23)(H,24,25)
Definition date:	2021-06-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide

G7F

G7F
Name:	N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide
Formula:	C12 H16 N2 O S
SMILES:	CN(Cc1sc2CCCCc2n1)C(=O)C=C
InChi:	InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3
Definition date:	2020-08-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide

G7L

G7L
Name:	N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide
Formula:	C9 H9 F3 N2 O S
SMILES:	CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C
InChi:	InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3
Definition date:	2020-08-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide

G7O

G7O
Name:	N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide
Formula:	C14 H14 N2 O S
SMILES:	C=CC(=O)N(Cc1sc2ccccc2n1)C3CC3
InChi:	InChI=1S/C14H14N2OS/c1-2-14(17)16(10-7-8-10)9-13-15-11-5-3-4-6-12(11)18-13/h2-6,10H,1,7-9H2
Definition date:	2020-08-04
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	~{N}-(1,3-benzothiazol-2-ylmethyl)-~{N}-cyclopropyl-prop-2-enamide

2I2

2I2
Name:	pentadecaoxodiphosphopentatungstate
Formula:	H10 O23 P2 W5
SMILES:	O[W]123(O)O[P]4(=O)[O+]5[W]6(O)(O)(O[P]7(=O)[O+]1[W]8(O)(O)(O2)O[W]9(O)(O)(O[W]5(O)(O)(O6)[O+]79)[O+]48)O3
InChi:	InChI=1S/2HO4P.10H2O.5O.5W/c2*1-5(2,3)4
Definition date:	2021-06-15
Last modified:	2022-06-17
Release date:	2022-06-22

GAY

GAY
Name:	3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide
Formula:	C22 H19 F N4 O3
SMILES:	COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O
InChi:	InChI=1S/C22H19FN4O3/c1-13(28)19-10-17(20-9-15(30-3)7-8-27(19)20)22(29)25-18-6-4-5-16(21(18)23)14-11-24-26(2)12-14/h4-12H,1-3H3,(H,25,29)
Definition date:	2022-05-06
Last modified:	2022-06-17
Release date:	2022-06-22
Identifier:	3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide

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