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BOW

BOW
Name:	octyl sulfamate
Formula:	C8 H19 N O3 S
SMILES:	O=S(=O)(OCCCCCCCC)N
InChi:	InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
Synonyms:	n-Octyl sulfamate
Definition date:	2009-07-20
Last modified:	2020-06-17
Identifier:	octyl sulfamate

BP1

BP1
Name:	6-BROMO-7H-PURINE
Formula:	C5 H3 Br N4
SMILES:	Brc1ncnc2ncnc12
InChi:	InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
Synonyms:	BROMOPURINE
Definition date:	2004-02-24
Last modified:	2020-06-17
Identifier:	6-bromo-7H-purine

1TJ

1TJ
Name:	1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione
Formula:	C19 H12 O5
SMILES:	O=C2C4=C(C(=O)c1c(O)cccc12)C(=O)Cc3cc(cc(O)c34)C
InChi:	InChI=1S/C19H12O5/c1-8-5-9-7-13(22)16-17(14(9)12(21)6-8)18(23)10-3-2-4-11(20)15(10)19(16)24/h2-6,20-21H,7H2,1H3
Synonyms:	11-DEOXY-6-OXYLANDOMYCINONE
Definition date:	2013-05-30
Last modified:	2020-06-17
Release date:	2013-07-31
Identifier:	1,8-dihydroxy-3-methyltetraphene-6,7,12(5H)-trione

BPF

BPF
Name:	N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium
Formula:	C22 H26 N4 O
SMILES:	o1c(ccc1c2ccc(/C(=[NH+]/CC)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3
InChi:	InChI=1S/C22H24N4O/c1-3-25-21(23)17-9-5-15(6-10-17)19-13-14-20(27-19)16-7-11-18(12-8-16)22(24)26-4-2/h5-14H,3-4H2,1-2H3,(H2,23,25)(H2,24,26)/p+2
Synonyms:	DB185
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium

BPJ

BPJ
Name:	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL
Formula:	C18 H16 O3
SMILES:	OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O
InChi:	InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m0/s1
Synonyms:	1R-TRANS-ANTI-BENZO[C]PHENANTHRENE
Definition date:	2001-01-25
Last modified:	2020-06-17
Identifier:	(2S,3S,4S)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol

BPL

BPL
Name:	1-BENZO[A]PYREN-6-YL-3-METHYL-UREA
Formula:	C22 H16 N2 O
SMILES:	O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5
InChi:	InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25)
Synonyms:	6-[3-METHYLUREAYL]-BENZO[A]PYRENE
Definition date:	2000-03-20
Last modified:	2020-06-17
Identifier:	1-benzo[pqr]tetraphen-6-yl-3-methylurea

BPS

BPS
Name:	1,1'-BIPHENYL-2-SULFINIC ACID
Formula:	C12 H10 O2 S
SMILES:	O=S(O)c2ccccc2c1ccccc1
InChi:	InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14)
Synonyms:	BIPHENYL-2-SULFINIC ACID
Definition date:	2004-10-15
Last modified:	2020-06-17
Identifier:	biphenyl-2-sulfinic acid

BPZ

BPZ
Name:	4,4'-cyclohexane-1,1-diyldiphenol
Formula:	C18 H20 O2
SMILES:	Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3
InChi:	InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
Synonyms:	4,4-Cyclohexylidenebisphenol, bisphenol Z
Definition date:	2008-03-18
Last modified:	2020-06-17
Identifier:	4,4'-cyclohexane-1,1-diyldiphenol

IIH

IIH
Name:	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol
Formula:	C13 H6 Cl I2 N O2
SMILES:	Ic3cc(c1nc2cccc(Cl)c2o1)cc(I)c3O
InChi:	InChI=1S/C13H6ClI2NO2/c14-7-2-1-3-10-12(7)19-13(17-10)6-4-8(15)11(18)9(16)5-6/h1-5,18H
Synonyms:	2-(3,5-Diiodo-4-hydroxyphenyl)-7-chlorobenzoxazole
Definition date:	2010-04-19
Last modified:	2020-06-17
Release date:	2017-06-28
Identifier:	4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol

BRE

BRE
Name:	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID
Formula:	C23 H16 F N O2
SMILES:	Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4
InChi:	InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
Synonyms:	BREQUINAR ANALOG
Definition date:	1999-10-01
Last modified:	2020-06-17
Identifier:	2-biphenyl-4-yl-6-fluoro-3-methylquinoline-4-carboxylic acid

1W3

1W3
Name:	7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one
Formula:	C20 H18 O4
SMILES:	O=C2Oc1cc(O)ccc1C(=C2C=Cc3cc(c(O)c(c3)C)C)C
InChi:	InChI=1S/C20H18O4/c1-11-8-14(9-12(2)19(11)22)4-6-17-13(3)16-7-5-15(21)10-18(16)24-20(17)23/h4-10,21-22H,1-3H3/b6-4+
Synonyms:	(E)-7-hydroxy-3-(4-hydroxy-3,5-dimethylstyryl)-4-methyl-2H-chromen-2-one
Definition date:	2013-06-26
Last modified:	2020-06-17
Release date:	2013-08-28
Identifier:	7-hydroxy-3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-4-methyl-2H-chromen-2-one

BRL

BRL
Name:	2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL)
Formula:	C18 H19 N3 O3 S
SMILES:	O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)cc3
InChi:	InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m0/s1
Synonyms:	BRL49653
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(5S)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione

BRN

BRN
Name:	BERENIL
Formula:	C14 H15 N7
SMILES:	N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2
InChi:	InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
Synonyms:	DIMINAZINE ACETURATE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide

BRS

BRS
Name:	2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
Formula:	C14 H11 Cl N2 O5
SMILES:	Clc1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2O)C
InChi:	InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1
Synonyms:	DNP-19
Definition date:	2001-12-07
Last modified:	2020-06-17
Identifier:	2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol

BRV

BRV
Name:	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid
Formula:	C8 H4 Br3 N O4
SMILES:	Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O
InChi:	InChI=1S/C8H4Br3NO4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h12H2,(H,13,14)(H,15,16)
Synonyms:	5-Amino-2,4,6-tribromoisophthalic acid
Definition date:	2009-03-30
Last modified:	2020-06-17
Identifier:	5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid

BRW

BRW
Name:	6-BROMOINDIRUBIN-3'-OXIME
Formula:	C16 H10 Br N3 O2
SMILES:	Brc1ccc2c(c1)NC(=O)C/2=C4C(=NO)c3ccccc3N4
InChi:	InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
Synonyms:	(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
Definition date:	2004-01-14
Last modified:	2020-06-17
Identifier:	(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime

IK8

IK8
Name:	1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL) -1H-PYRAZOLE-5-CARBOXAMIDE
Formula:	C24 H20 F4 N8 O2
SMILES:	Fc2cc(n1ccnc1CN(C)C)ccc2NC(=O)c5cc(nn5c4cc3c(onc3N)cc4)C(F)(F)F
InChi:	InChI=1S/C24H20F4N8O2/c1-34(2)12-21-30-7-8-35(21)13-3-5-17(16(25)10-13)31-23(37)18-11-20(24(26,27)28)32-36(18)14-4-6-19-15(9-14)22(29)33-38-19/h3-11H,12H2,1-2H3,(H2,29,33)(H,31,37)
Synonyms:	1-(3'-AMINOBENZISOXAZOL-5'-YL)-3-TRIFLUOROMETHYL-N-[2-FLUORO-4-[(2'-DIMETHYLAMINOMETHYL)IMIDAZOL-1-YL]PHENYL]-1H-PYRAZO LE-5-CARBOXYAMIDE
Definition date:	2005-04-06
Last modified:	2020-06-17
Identifier:	1-(3-amino-1,2-benzoxazol-5-yl)-N-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

1WU

1WU
Name:	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
Formula:	C14 H13 B F N O3
SMILES:	Fc3cc(ccc3Oc2ccc1c(B(O)OC1)c2)CN
InChi:	InChI=1S/C14H13BFNO3/c16-13-5-9(7-17)1-4-14(13)20-11-3-2-10-8-19-15(18)12(10)6-11/h1-6,18H,7-8,17H2
Synonyms:	6-[4-(aminomethyl)-2-fluorophenoxy]benzo[c][1,2]oxaborol-1(3H)-ol
Definition date:	2013-07-12
Last modified:	2020-06-17
Release date:	2013-10-02
Identifier:	6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol

BST

BST
Name:	6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Formula:	C17 H28 N8 O6
SMILES:	O=C1NC(O)(N)C=CN1C2OC(C(=O)O)C(C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C
InChi:	InChI=1S/C17H28N8O6/c1-24(15(19)20)6-4-9(18)8-11(26)22-10-2-3-12(31-13(10)14(27)28)25-7-5-17(21,30)23-16(25)29/h2-3,5,7,9-10,12-13,30H,4,6,8,18,21H2,1H3,(H3,19,20)(H,22,26)(H,23,29)(H,27,28)/t9-,10-,12+,13-,17-/m0/s1
Synonyms:	TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
Definition date:	2004-07-30
Last modified:	2020-06-17
Identifier:	(4S)-4-amino-1-[4-({(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl}amino)-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl]-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

1X9

1X9
Name:	Cerulenin
Formula:	C12 H17 N O3
SMILES:	O=C(CC/C=C/C/C=C/C)C1OC1C(=O)N
InChi:	InChI=1S/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)/b3-2+,6-5+/t10-,11-/m1/s1
Synonyms:	(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide
Definition date:	2013-08-27
Last modified:	2020-06-17
Release date:	2014-04-02
Identifier:	(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide

BSU

BSU
Name:	1,3-DIPHENYLUREA
Formula:	C13 H12 N2 O
SMILES:	O=C(Nc1ccccc1)Nc2ccccc2
InChi:	InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
Synonyms:	DIPHENYLCARBAMIDE
Definition date:	2001-05-22
Last modified:	2020-06-17
Identifier:	1,3-diphenylurea

BT8

BT8
Name:	3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole
Formula:	C21 H26 N4 O3
SMILES:	n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(onc3OCC)c4
InChi:	InChI=1S/C21H26N4O3/c1-3-26-21-18-6-5-17(14-19(18)28-24-21)27-13-10-16-8-11-25(12-9-16)20-7-4-15(2)22-23-20/h4-7,14,16H,3,8-13H2,1-2H3
Synonyms:	BTA798
Definition date:	2012-01-05
Last modified:	2020-06-17
Release date:	2012-09-07
Identifier:	3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole

BTB

BTB
Name:	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Formula:	C8 H19 N O5
SMILES:	OCCN(C(CO)(CO)CO)CCO
InChi:	InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
Synonyms:	BIS-TRIS BUFFER
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

BTQ

BTQ
Name:	EPI-BIOTIN
Formula:	C10 H16 N2 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)O
InChi:	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7+,9-/m0/s1
Synonyms:	5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Definition date:	2005-11-17
Last modified:	2020-06-17
Identifier:	5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

IM3

IM3
Name:	(2E)-3-(3,4-DIHYDROXYPHENYL)-2-IMINOPROPANOIC ACID
Formula:	C9 H9 N O4
SMILES:	O=C(O)C(=[N@H])Cc1cc(O)c(O)cc1
InChi:	InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,10-12H,3H2,(H,13,14)/b10-6+
Synonyms:	IMINO-DOPA
Definition date:	2006-12-14
Last modified:	2020-06-17
Identifier:	(2E)-3-(3,4-dihydroxyphenyl)-2-iminopropanoic acid

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