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1EL

1EL
Name:	9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one
Formula:	C17 H14 N2 O2
SMILES:	O=C1N=CCc2c1c(c4c(c2C)nc3ccc(O)cc34)C
InChi:	InChI=1S/C17H14N2O2/c1-8-11-5-6-18-17(21)15(11)9(2)14-12-7-10(20)3-4-13(12)19-16(8)14/h3-4,6-7,19-20H,5H2,1-2H3
Definition date:	2010-09-21
Last modified:	2011-06-04
Identifier:	9-hydroxy-5,11-dimethyl-4,6-dihydro-1H-pyrido[4,3-b]carbazol-1-one

1FN

1FN
Name:	1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
Formula:	C25 H16 F2 N4 O3
SMILES:	Fc1ccc(cc1)N2C=CC=C(C2=O)C(=O)Nc5ccc(Oc3ccnc4c3ccn4)c(F)c5
InChi:	InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
Definition date:	2008-03-03
Last modified:	2011-06-04
Identifier:	1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

982

982
Name:	3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID
Formula:	C10 H7 N O5 S
SMILES:	O=C(O)COc1c2cccnc2sc1C(=O)O
InChi:	InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15)
Definition date:	2005-09-30
Last modified:	2011-06-04
Identifier:	3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid

1HP

1HP
Name:	4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol
Formula:	C13 H12 N4 O
SMILES:	n1cc(cc2c1nc(n2C)N)c3ccc(O)cc3
InChi:	InChI=1S/C13H12N4O/c1-17-11-6-9(7-15-12(11)16-13(17)14)8-2-4-10(18)5-3-8/h2-7,18H,1H3,(H2,14,15,16)
Definition date:	2007-08-15
Last modified:	2011-06-04
Identifier:	4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol

1IT

1IT
Name:	DIBENZOFURAN
Formula:	C12 H8 O
SMILES:	o2c1ccccc1c3c2cccc3
InChi:	InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
Definition date:	2011-04-06
Last modified:	2011-06-04
Identifier:	dibenzo[b,d]furan

9DX

9DX
Name:	(2R,3aR,7R,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-7-hydroxy-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid
Formula:	C11 H17 N O7
SMILES:	O=C(O)C(N)CC2(OC1C(OCCC1O)C2)C(=O)O
InChi:	InChI=1S/C11H17NO7/c12-5(9(14)15)3-11(10(16)17)4-7-8(19-11)6(13)1-2-18-7/h5-8,13H,1-4,12H2,(H,14,15)(H,16,17)/t5-,6+,7+,8+,11+/m0/s1
Definition date:	2009-01-20
Last modified:	2011-06-04
Identifier:	(2R,3aR,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-7-hydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid (non-preferred name)

ABH

ABH
Name:	2(S)-AMINO-6-BORONOHEXANOIC ACID
Formula:	C6 H15 B N O5
SMILES:	O=C(O)C(N)CCCC[B-](O)(O)O
InChi:	InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/t5-/m0/s1
Definition date:	1999-10-07
Last modified:	2011-06-04
Identifier:	[(5S)-5-amino-5-carboxypentyl](trihydroxy)borate(1-)

ACW

ACW
Name:	D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-B-METHYL-D-CYCLOPROPYLGLYCINE
Formula:	C15 H25 N3 O6 S
SMILES:	O=C(NC(C(=O)O)C1(C)CC1)C(NC(=O)CCCC(C(=O)O)N)CS
InChi:	InChI=1S/C15H25N3O6S/c1-15(5-6-15)11(14(23)24)18-12(20)9(7-25)17-10(19)4-2-3-8(16)13(21)22/h8-9,11,25H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/t8-,9-,11-/m0/s1
Definition date:	2006-06-13
Last modified:	2011-06-04
Identifier:	N~6~-[(1R)-2-{[(R)-carboxy(1-methylcyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine

AGO

AGO
Name:	2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one
Formula:	C18 H22 N7 O14 P3
SMILES:	O=P(OCC2OC(C(=O)C2OC(=O)c1ccccc1NC)n3c4N=C(N)NC(=O)c4nc3)(O)OP(=O)(O)NP(=O)(O)O
InChi:	InChI=1S/C18H22N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,13,16,20H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,13-,16-/m1/s1
Definition date:	2009-08-06
Last modified:	2011-06-04
Identifier:	2-amino-9-(5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]-3-O-{[2-(methylamino)phenyl]carbonyl}-beta-D-erythro-pentofuranosyl-2-ulose)-1,9-dihydro-6H-purin-6-one

AJM

AJM
Name:	AJMALINE
Formula:	C18 H22 N2 O2
SMILES:	OC2C14c6ccccc6N(C1C5N3C(O)CC(C2C3C4)C5)C
InChi:	InChI=1S/C18H22N2O2/c1-19-11-5-3-2-4-10(11)18-8-13-15(17(18)22)9-6-12(16(18)19)20(13)14(21)7-9/h2-5,9,12-17,21-22H,6-8H2,1H3/t9-,12-,13-,14-,15-,16-,17+,18+/m0/s1
Definition date:	2005-06-03
Last modified:	2011-06-04
Identifier:	(5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol

MB0

MB0
Name:	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile
Formula:	C18 H18 Cl2 N4 O
SMILES:	N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3
InChi:	InChI=1/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1/f/h22H
Definition date:	2008-05-01
Last modified:	2009-08-04
Identifier:	(4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile

CB5

CB5
Name:	COBALT BIS(1,2-DICARBOLLIDE)
Formula:	C4 H22 B18 Co
SMILES:	[Co]\|1\|2\|3\|4\|5\|6\|7\|8([BH]9%10[BH]%11%12\|1[BH]9%13[BH]%11%14%15[BH]%16\|2%12[CH]%17%18\|3[CH]%19\|4%10[BH-]%20[BH]%17%19%21[BH]%14%16%18[BH+]%13%15%20%21)[BH]%22%23[BH]%24%25\|5[BH]%26%27\|6[CH]%28%29\|7[CH]%30\|8%22[BH]%31%32[BH]%23%24%33[BH]%25%26%34[BH]%27%28%35[BH]%29%30%31[BH]%32%33%34%35
InChi:	InChI=1S/2C2H11B9.Co/c3-1-2-4-6(3)9(3)5(1)7(1,2)8(2,4)10(4,6,9)11(5,7,8)9
Definition date:	2005-06-14
Last modified:	2009-08-02

B1F

B1F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2009-01-07
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

STO

STO
Name:	STAUROSPORINE
Formula:	C28 H26 N4 O3
SMILES:	O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:	InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1/f/h30H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

UIC

UIC
Name:	(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE
Formula:	C29 H40 N2 O7 S
SMILES:	O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4
InChi:	InChI=1/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1/f/h30H
Definition date:	2006-05-23
Last modified:	2008-10-14
Identifier:	(3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate

NEV

NEV
Name:	NEVIRAPINE
Formula:	C15 H14 N4 O
SMILES:	O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
InChi:	InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/f/h18H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

NFB

NFB
Name:	NI-FE ACTIVE CENTER B-FORM
Formula:	C3 H2 Fe N Ni O3
SMILES:	[Ni]O[Fe](C=O)(C=O)C#N
InChi:	InChI=1/CN.2CHO.Fe.Ni.O/c3*1-2
Definition date:	2004-12-17
Last modified:	2008-10-14
Identifier:	(cyano-dimethanoyl-ferrio)oxynickel

NIV

NIV
Name:	NEVIRAPINE
Formula:	C15 H14 N4 O
SMILES:	O=C2Nc1c(ccnc1N(c3ncccc23)C4CC4)C
InChi:	InChI=1/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)/f/h18H
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	11-cyclopropyl-4-methyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

MHM

MHM
Name:	[7,12-DIETHYL-3,8,13,17-TETRAMETHYL-21H,23H-PORPHINE-2,18-DIPORPANOTO-(2)-N21,N22,N23,N24,]IRON
Formula:	C34 H32 Fe N4 O4
SMILES:	O=C(O)CCC=1C7=[N+]4C(C=1C)=Cc5c(C=C)c(c6C=C8[N+]3=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C=C)C)C
InChi:	InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Synonyms:	MESOHEME
Definition date:	1999-07-08
Last modified:	2008-10-14
Identifier:	[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron(2+)

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