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5CK

5CK
Name:	(1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
Formula:	C16 H20 F2 O2
SMILES:	C1C(CCC2(C1CCC2O)C)c3ccc(O)c(F)c3F
InChi:	InChI=1S/C16H20F2O2/c1-16-7-6-9(8-10(16)2-5-13(16)20)11-3-4-12(19)15(18)14(11)17/h3-4,9-10,13,19-20H,2,5-8H2,1H3/t9-,10+,13-,16-/m0/s1
Definition date:	2015-09-04
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	(1S,3aR,5S,7aS)-5-(2,3-difluoro-4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol

5CQ

5CQ
Name:	(1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol
Formula:	C17 H24 O2
SMILES:	c1c(O)cc(c(c1)C2CC3C(CC2)(C)C(CC3)O)C
InChi:	InChI=1S/C17H24O2/c1-11-9-14(18)4-5-15(11)12-7-8-17(2)13(10-12)3-6-16(17)19/h4-5,9,12-13,16,18-19H,3,6-8,10H2,1-2H3/t12-,13+,16-,17-/m0/s1
Definition date:	2015-09-04
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	(1S,3aR,5S,7aS)-5-(4-hydroxy-2-methylphenyl)-7a-methyloctahydro-1H-inden-1-ol

5DG

5DG
Name:	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol
Formula:	C27 H22 F N O2
SMILES:	CC(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(F)cc4
InChi:	InChI=1S/C27H22FNO2/c1-18(21-3-2-4-24(17-21)29-23-11-9-22(28)10-12-23)27(19-5-13-25(30)14-6-19)20-7-15-26(31)16-8-20/h2-17,29-31H,1H3
Definition date:	2015-09-09
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}prop-1-ene-1,1-diyl)diphenol

5DH

5DH
Name:	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile
Formula:	C21 H15 N O2
SMILES:	N#CC(=C(/c1ccc(O)cc1)c2ccc(cc2)O)c3ccccc3
InChi:	InChI=1S/C21H15NO2/c22-14-20(15-4-2-1-3-5-15)21(16-6-10-18(23)11-7-16)17-8-12-19(24)13-9-17/h1-13,23-24H
Definition date:	2015-09-09
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile

5DJ

5DJ
Name:	4,4'-(2-phenylethene-1,1-diyl)diphenol
Formula:	C20 H16 O2
SMILES:	c1c(ccc(c1)O)C(c2ccc(O)cc2)=[C@H]c3ccccc3
InChi:	InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
Definition date:	2015-09-09
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-(2-phenylethene-1,1-diyl)diphenol

5ES

5ES
Name:	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol
Formula:	C26 H20 F N O2
SMILES:	Oc1ccc(cc1)/C(c2ccc(O)cc2)=C/c3cc(ccc3)Nc4ccc(cc4)F
InChi:	InChI=1S/C26H20FNO2/c27-21-8-10-22(11-9-21)28-23-3-1-2-18(16-23)17-26(19-4-12-24(29)13-5-19)20-6-14-25(30)15-7-20/h1-17,28-30H
Definition date:	2015-09-17
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-(2-{3-[(4-fluorophenyl)amino]phenyl}ethene-1,1-diyl)diphenol

5ET

5ET
Name:	4,4'-thiene-2,5-diylbis(3-chlorophenol)
Formula:	C16 H10 Cl2 O2 S
SMILES:	c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O
InChi:	InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H
Definition date:	2015-09-17
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-thiene-2,5-diylbis(3-chlorophenol)

5EU

5EU
Name:	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
Formula:	C17 H12 Cl2 O2 S
SMILES:	Oc3ccc(c2cc(c(c1c(cc(cc1)O)Cl)s2)C)c(Cl)c3
InChi:	InChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3
Definition date:	2015-09-17
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)

5FS

5FS
Name:	3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione
Formula:	C18 H16 O4 S
SMILES:	Oc3cc(c(C1=CS(C=C1c2c(C)cc(cc2)O)(=O)=O)cc3)C
InChi:	InChI=1S/C18H16O4S/c1-11-7-13(19)3-5-15(11)17-9-23(21,22)10-18(17)16-6-4-14(20)8-12(16)2/h3-10,19-20H,1-2H3
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3,4-bis(4-hydroxy-2-methylphenyl)-1H-1lambda~6~-thiophene-1,1-dione

5G2

5G2
Name:	3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione
Formula:	C16 H10 Cl2 O4 S
SMILES:	C=1S(C=C(C=1c2c(Cl)cc(O)cc2)c3c(Cl)cc(O)cc3)(=O)=O
InChi:	InChI=1S/C16H10Cl2O4S/c17-15-5-9(19)1-3-11(15)13-7-23(21,22)8-14(13)12-4-2-10(20)6-16(12)18/h1-8,19-20H
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione

5G3

5G3
Name:	4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol
Formula:	C19 H14 Cl N O3
SMILES:	Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(Cl)cccc2)cc3
InChi:	InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4-[(E)-[(2-chlorophenyl)imino](4-hydroxyphenyl)methyl]benzene-1,3-diol

5G4

5G4
Name:	4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
Formula:	C20 H17 N O3
SMILES:	Oc3ccc(/C(c1c(cc(cc1)O)O)=Nc2c(C)cccc2)cc3
InChi:	InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol

5G5

5G5
Name:	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol
Formula:	C19 H14 Cl N O2
SMILES:	Clc1c(cccc1)N=C(c2ccc(O)cc2)c3ccc(cc3)O
InChi:	InChI=1S/C19H14ClNO2/c20-17-3-1-2-4-18(17)21-19(13-5-9-15(22)10-6-13)14-7-11-16(23)12-8-14/h1-12,22-23H
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-[(2-chlorophenyl)carbonimidoyl]diphenol

5G6

5G6
Name:	4,4'-(phenylcarbonimidoyl)diphenol
Formula:	C19 H15 N O2
SMILES:	Oc3ccc(C(=N/c1ccccc1)c2ccc(O)cc2)cc3
InChi:	InChI=1S/C19H15NO2/c21-17-10-6-14(7-11-17)19(15-8-12-18(22)13-9-15)20-16-4-2-1-3-5-16/h1-13,21-22H
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-(phenylcarbonimidoyl)diphenol

5G7

5G7
Name:	4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
Formula:	C20 H17 N O2
SMILES:	Oc1ccc(cc1)/C(c2ccc(cc2)O)=N/c3c(C)cccc3
InChi:	InChI=1S/C20H17NO2/c1-14-4-2-3-5-19(14)21-20(15-6-10-17(22)11-7-15)16-8-12-18(23)13-9-16/h2-13,22-23H,1H3
Definition date:	2015-09-22
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4,4'-[(2-methylphenyl)carbonimidoyl]diphenol

OBB

OBB
Name:	3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C24 H19 Br O6 S
SMILES:	c1(O)ccc(cc1)C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(Oc5cccc(c5)Br)=O
InChi:	InChI=1S/C24H19BrO6S/c25-16-2-1-3-19(12-16)31-32(28,29)21-13-20-22(14-4-8-17(26)9-5-14)23(24(21)30-20)15-6-10-18(27)11-7-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
Definition date:	2015-05-07
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

OBM

OBM
Name:	4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C24 H19 Br O6 S
SMILES:	c1(ccc(cc1)C2=C(C3C(CC2O3)S(Oc4ccc(cc4)Br)(=O)=O)c5ccc(cc5)O)O
InChi:	InChI=1S/C24H19BrO6S/c25-16-5-11-19(12-6-16)31-32(28,29)21-13-20-22(14-1-7-17(26)8-2-14)23(24(21)30-20)15-3-9-18(27)10-4-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
Definition date:	2015-05-07
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

OFB

OFB
Name:	3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C24 H19 F O6 S
SMILES:	c1(O)ccc(cc1)C2=C(C3OC2CC3S(=O)(Oc4cccc(c4)F)=O)c5ccc(cc5)O
InChi:	InChI=1S/C24H19FO6S/c25-16-2-1-3-19(12-16)31-32(28,29)21-13-20-22(14-4-8-17(26)9-5-14)23(24(21)30-20)15-6-10-18(27)11-7-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
Definition date:	2015-05-07
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

4Q7

4Q7
Name:	2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C25 H22 O7 S
SMILES:	c1(ccc(O)cc1)C2=C(C3OC2C(C3)S(=O)(Oc4c(cccc4)OC)=O)c5ccc(O)cc5
InChi:	InChI=1S/C25H22O7S/c1-30-19-4-2-3-5-20(19)32-33(28,29)22-14-21-23(15-6-10-17(26)11-7-15)24(25(22)31-21)16-8-12-18(27)13-9-16/h2-13,21-22,25-27H,14H2,1H3/t21-,22+,25+/m0/s1
Definition date:	2015-05-07
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	2-methoxyphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

4Q9

4Q9
Name:	2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C25 H22 O6 S
SMILES:	O=S(C3C4C(c1ccc(O)cc1)=C(c2ccc(O)cc2)C(C3)O4)(Oc5ccccc5C)=O
InChi:	InChI=1S/C25H22O6S/c1-15-4-2-3-5-20(15)31-32(28,29)22-14-21-23(16-6-10-18(26)11-7-16)24(25(22)30-21)17-8-12-19(27)13-9-17/h2-13,21-22,25-27H,14H2,1H3/t21-,22+,25+/m0/s1
Definition date:	2015-05-08
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

4QX

4QX
Name:	3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Formula:	C12 H15 Cl N6 O
SMILES:	C(C)(C)NC(n2c(Nc1ccc(cc1)Cl)nc(N)n2)=O
InChi:	InChI=1S/C12H15ClN6O/c1-7(2)15-12(20)19-11(17-10(14)18-19)16-9-5-3-8(13)4-6-9/h3-7H,1-2H3,(H,15,20)(H3,14,16,17,18)
Definition date:	2015-05-13
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3-amino-5-[(4-chlorophenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide

4QZ

4QZ
Name:	3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide
Formula:	C17 H17 Cl N6 O
SMILES:	C(c1ccccc1)(C)NC(n2c(nc(N)n2)Nc3ccc(cc3)Cl)=O
InChi:	InChI=1S/C17H17ClN6O/c1-11(12-5-3-2-4-6-12)20-17(25)24-16(22-15(19)23-24)21-14-9-7-13(18)8-10-14/h2-11H,1H3,(H,20,25)(H3,19,21,22,23)/t11-/m0/s1
Definition date:	2015-05-13
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3-amino-5-[(4-chlorophenyl)amino]-N-[(1S)-1-phenylethyl]-1H-1,2,4-triazole-1-carboxamide

4R0

4R0
Name:	3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Formula:	C13 H17 Cl N6 O
SMILES:	c2(cc(Nc1nc(nn1C(NC(C)C)=O)N)ccc2Cl)C
InChi:	InChI=1S/C13H17ClN6O/c1-7(2)16-13(21)20-12(18-11(15)19-20)17-9-4-5-10(14)8(3)6-9/h4-7H,1-3H3,(H,16,21)(H3,15,17,18,19)
Definition date:	2015-05-13
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	3-amino-5-[(4-chloro-3-methylphenyl)amino]-N-(propan-2-yl)-1H-1,2,4-triazole-1-carboxamide

4R5

4R5
Name:	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea
Formula:	C17 H13 F2 N3 O2 S
SMILES:	c1(cncs1)NC(=O)Nc2c(cc(cc2F)c3cccc(c3)OC)F
InChi:	InChI=1S/C17H13F2N3O2S/c1-24-12-4-2-3-10(5-12)11-6-13(18)16(14(19)7-11)22-17(23)21-15-8-20-9-25-15/h2-9H,1H3,(H2,21,22,23)
Definition date:	2015-05-14
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	1-(3,5-difluoro-3'-methoxybiphenyl-4-yl)-3-(1,3-thiazol-5-yl)urea

4RC

4RC
Name:	N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
Formula:	C18 H19 Cl2 F N6
SMILES:	c1c(nc2c(c1)nc(n2)NCCCNC4CCNc3c(cc(Cl)cc34)Cl)F
InChi:	InChI=1S/C18H19Cl2FN6/c19-10-8-11-13(4-7-23-16(11)12(20)9-10)22-5-1-6-24-18-25-14-2-3-15(21)26-17(14)27-18/h2-3,8-9,13,22-23H,1,4-7H2,(H2,24,25,26,27)/t13-/m1/s1
Definition date:	2015-05-14
Last modified:	2016-04-29
Release date:	2016-05-04
Identifier:	N-[(4R)-6,8-dichloro-1,2,3,4-tetrahydroquinolin-4-yl]-N'-(5-fluoro-3H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine

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