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ONP

ONP
Name:	O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
Formula:	C8 H11 Be F3 N2 O9 P2
SMILES:	O[P](=O)(OCCNc1ccccc1[N+]([O-])=O)O[P](O)(=O)O[Be-](F)(F)F
InChi:	InChI=1S/C8H12N2O9P2.Be.3FH/c11-10(12)8-4-2-1-3-7(8)9-5-6-18-21(16,17)19-20(13,14)15
Definition date:	1999-09-22
Last modified:	2011-06-04
Identifier:	trifluoro-[hydroxy-[hydroxy-[2-[(2-nitrophenyl)amino]ethoxy]phosphoryl]oxy-phosphoryl]oxy-beryllium

T2T

T2T
Name:	[(2S,3S,5R)-3-[(2S)-3-({[(2R,3S,4R,5R)-3-HYDROXY-4-METHOXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL}AMINO)-2-METHYL-3-OXOPROPYL]-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:	C25 H36 N5 O13 P
SMILES:	O=C1C(=CN(C(=O)N1)C2OC(COP(=O)(O)O)C(C2)CC(C(=O)NCC4OC(N3C(=O)NC(=O)C(=C3)C)C(OC)C4O)C)C
InChi:	InChI=1S/C25H36N5O13P/c1-11(5-14-6-17(42-16(14)10-41-44(37,38)39)29-8-12(2)21(33)27-24(29)35)20(32)26-7-15-18(31)19(40-4)23(43-15)30-9-13(3)22(34)28-25(30)36/h8-9,11,14-19,23,31H,5-7,10H2,1-4H3,(H,26,32)(H,27,33,35)(H,28,34,36)(H2,37,38,39)/t11-,14-,15+,16+,17+,18+,19+,23+/m0/s1
Definition date:	2006-05-12
Last modified:	2011-06-04
Identifier:	[(2S,3S,5R)-3-[(2S)-3-({[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}amino)-2-methyl-3-oxopropyl]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)

SAF

SAF
Name:	3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL
Formula:	C10 H15 N O
SMILES:	Oc1cc(ccc1)C(N(C)C)C
InChi:	InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
Definition date:	2001-12-04
Last modified:	2011-06-04
Identifier:	3-[(1S)-1-(dimethylamino)ethyl]phenol

KIF

KIF
Name:	KIFUNENSINE
Formula:	C8 H12 N2 O6
SMILES:	O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO
InChi:	InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1
Definition date:	2000-10-11
Last modified:	2011-06-04
Identifier:	(5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione

SAH

SAH
Name:	S-ADENOSYL-L-HOMOCYSTEINE
Formula:	C14 H20 N6 O5 S
SMILES:	O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)

SAI

SAI
Name:	S-ADENOSYL-L-HOMOSELENOCYSTEINE
Formula:	C14 H20 N6 O5 Se
SMILES:	O=C(O)C(N)CC[Se]CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
Definition date:	2001-05-16
Last modified:	2011-06-04
Identifier:	5'-Se-[(3S)-3-amino-3-carboxypropyl]-5'-selenoadenosine

KIM

KIM
Name:	N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:	C22 H24 N6 O3
SMILES:	O(c1cc(cc(OC)c1OC)Nc2nccc(n2)N(c3ccc4c(c3)nnc4C)C)C
InChi:	InChI=1S/C22H24N6O3/c1-13-16-7-6-15(12-17(16)27-26-13)28(2)20-8-9-23-22(25-20)24-14-10-18(29-3)21(31-5)19(11-14)30-4/h6-12H,1-5H3,(H,26,27)(H,23,24,25)
Definition date:	2008-03-13
Last modified:	2011-06-04
Identifier:	N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

SAM

SAM
Name:	S-ADENOSYLMETHIONINE
Formula:	C15 H22 N6 O5 S
SMILES:	[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2S)-2-amino-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]butanoate (non-preferred name)

KIN

KIN
Name:	1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA
Formula:	C19 H14 F3 N3 O2
SMILES:	FC(F)(F)c1cccc(c1)NC(=O)Nc3ccc(Oc2ccncc2)cc3
InChi:	InChI=1S/C19H14F3N3O2/c20-19(21,22)13-2-1-3-15(12-13)25-18(26)24-14-4-6-16(7-5-14)27-17-8-10-23-11-9-17/h1-12H,(H2,24,25,26)
Definition date:	2006-08-10
Last modified:	2011-06-04
Identifier:	1-[4-(pyridin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

SAN

SAN
Name:	SULFANILAMIDE
Formula:	C6 H8 N2 O2 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N
InChi:	InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-aminobenzenesulfonamide

KIQ

KIQ
Name:	(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE
Formula:	C19 H17 F6 N5 O
SMILES:	Fc1cc(c(F)cc1F)C2C(N)CC(=CC2)C(=O)N4Cc3nnc(n3CC4)C(F)(F)F
InChi:	InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1
Definition date:	2006-09-05
Last modified:	2011-06-04
Identifier:	(1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine

MZ5

MZ5
Name:	(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE
Formula:	C27 H37 N3 O5 S2
SMILES:	O=C(NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2ccc3ncsc3c2)C(O)C(C)C
InChi:	InChI=1S/C27H37N3O5S2/c1-5-19(4)15-30(37(34,35)21-11-12-22-25(14-21)36-17-28-22)16-24(31)23(13-20-9-7-6-8-10-20)29-27(33)26(32)18(2)3/h6-12,14,17-19,23-24,26,31-32H,5,13,15-16H2,1-4H3,(H,29,33)/t19-,23-,24+,26-/m0/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	(2S)-N-[(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-2-hydroxy-3-methylbutanamide

MZ6

MZ6
Name:	N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE
Formula:	C29 H33 N3 O5 S2
SMILES:	O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C)CC)S(=O)(=O)c3ccc4ncsc4c3
InChi:	InChI=1S/C29H33N3O5S2/c1-3-20(2)17-32(39(36,37)24-12-13-25-28(16-24)38-19-30-25)18-27(34)26(14-21-8-5-4-6-9-21)31-29(35)22-10-7-11-23(33)15-22/h4-13,15-16,19-20,26-27,33-34H,3,14,17-18H2,1-2H3,(H,31,35)/t20-,26-,27+/m0/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	N-[(1S,2R)-3-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]-3-hydroxybenzamide

SAV

SAV
Name:	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Formula:	C21 H22 N6 O3
SMILES:	O(c1cc(cc(OC)c1OC)Nc2nccc(n2)Nc3ccc4c(c3)nnc4C)C
InChi:	InChI=1S/C21H22N6O3/c1-12-15-6-5-13(9-16(15)27-26-12)23-19-7-8-22-21(25-19)24-14-10-17(28-2)20(30-4)18(11-14)29-3/h5-11H,1-4H3,(H,26,27)(H2,22,23,24,25)
Definition date:	2008-03-13
Last modified:	2011-06-04
Identifier:	N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

MZ7

MZ7
Name:	N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE
Formula:	C29 H40 N4 O5 S2
SMILES:	O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(CCCCC)S(=O)(=O)c2ccc3ncsc3c2)C(C)C)C
InChi:	InChI=1S/C29H40N4O5S2/c1-5-6-10-15-33(40(37,38)23-13-14-24-27(17-23)39-19-30-24)18-26(35)25(16-22-11-8-7-9-12-22)32-29(36)28(20(2)3)31-21(4)34/h7-9,11-14,17,19-20,25-26,28,35H,5-6,10,15-16,18H2,1-4H3,(H,31,34)(H,32,36)/t25-,26+,28-/m0/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	N~2~-acetyl-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(pentyl)amino]-1-benzyl-2-hydroxypropyl}-L-valinamide

SAW

SAW
Name:	(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:	C31 H45 N3 O4 S
SMILES:	O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)C34CC5CC(O)(C3)CC(C4)C5
InChi:	InChI=1S/C31H45N3O4S/c1-34(2)27-13-9-12-26-25(27)11-10-14-28(26)39(37,38)33-16-8-6-4-3-5-7-15-32-29(35)30-18-23-17-24(19-30)21-31(36,20-23)22-30/h9-14,23-24,33,36H,3-8,15-22H2,1-2H3,(H,32,35)/t23-,24+,30+,31-
Definition date:	2010-08-31
Last modified:	2011-06-04
Identifier:	(1R,3S,5R,7S)-N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-3-hydroxytricyclo[3.3.1.1~3,7~]decane-1-carboxamide

MZ8

MZ8
Name:	N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE
Formula:	C28 H31 N3 O5 S2
SMILES:	O=C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc4ncsc4c3
InChi:	InChI=1S/C28H31N3O5S2/c1-19(2)16-31(38(35,36)23-11-12-24-27(15-23)37-18-29-24)17-26(33)25(13-20-7-4-3-5-8-20)30-28(34)21-9-6-10-22(32)14-21/h3-12,14-15,18-19,25-26,32-33H,13,16-17H2,1-2H3,(H,30,34)/t25-,26+/m0/s1
Definition date:	2007-07-12
Last modified:	2011-06-04
Identifier:	N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-hydroxybenzamide

MZA

MZA
Name:	6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE
Formula:	C23 H21 Cl F N3 O3 S
SMILES:	Fc1c2CCNCc2ccc1N3CC[CH](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4)C3=O
InChi:	InChI=1S/C23H21ClFN3O3S/c24-17-4-1-15-12-18(5-2-14(15)11-17)32(30,31)27-20-8-10-28(23(20)29)21-6-3-16-13-26-9-7-19(16)22(21)25/h1-6,11-12,20,26-27H,7-10,13H2/t20-/m0/s1
Definition date:	2011-02-02
Last modified:	2011-06-04
Identifier:	6-chloro-N-[(3S)-1-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-pyrrolidin-3-yl]naphthalene-2-sulfonamide

MZC

MZC
Name:	methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate
Formula:	C14 H17 N3 O3
SMILES:	O=C(OC)Nc1cc2c(cc1)ncc2CCNC(=O)C
InChi:	InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
Definition date:	2010-09-17
Last modified:	2011-06-04
Identifier:	methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate

RIA

RIA
Name:	2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-5'-MONOPHOSPHATE
Formula:	C15 H23 N5 O14 P2
SMILES:	O=P(O)(O)OCC4OC(n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O)(O)O)C4O
InChi:	InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(9(22)6(32-14)2-31-36(27,28)29)34-15-10(23)8(21)5(33-15)1-30-35(24,25)26/h3-6,8-11,14-15,21-23H,1-2H2,(H2,16,17,18)(H2,24,25,26)(H2,27,28,29)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	2'-O-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)

SBF

SBF
Name:	N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide
Formula:	C32 H47 N3 O3 S
SMILES:	O=S(=O)(c2c1cccc(N(C)C)c1ccc2)NCCCCCCCCNC(=O)CC35CC4CC(CC(C3)C4)C5
InChi:	InChI=1S/C32H47N3O3S/c1-35(2)29-13-9-12-28-27(29)11-10-14-30(28)39(37,38)34-16-8-6-4-3-5-7-15-33-31(36)23-32-20-24-17-25(21-32)19-26(18-24)22-32/h9-14,24-26,34H,3-8,15-23H2,1-2H3,(H,33,36)/t24-,25+,26-,32-
Definition date:	2010-10-12
Last modified:	2011-06-04
Identifier:	N-[8-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)octyl]-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide

RIE

RIE
Name:	(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid
Formula:	C29 H36 F N3 O5
SMILES:	O=C(O)CC(O)CC(O)CCc2c(c(nn2c1ccc(F)cc1)C(=O)N(C(c3ccccc3)C)C)C(C)C
InChi:	InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/t19-,23-,24-/m1/s1
Definition date:	2007-11-28
Last modified:	2011-06-04
Identifier:	(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid

SBI

SBI
Name:	SORBINIL
Formula:	C11 H9 F N2 O3
SMILES:	Fc3ccc2OCCC1(C(=O)NC(=O)N1)c2c3
InChi:	InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione

MZZ

MZZ
Name:	(4-aminophenyl)-imidazol-1-yl-methanone
Formula:	C10 H9 N3 O
SMILES:	O=C(c1ccc(N)cc1)n2ccnc2
InChi:	InChI=1S/C10H9N3O/c11-9-3-1-8(2-4-9)10(14)13-6-5-12-7-13/h1-7H,11H2
Definition date:	2011-04-21
Last modified:	2011-06-04
Identifier:	(4-aminophenyl)(1H-imidazol-1-yl)methanone

SBN

SBN
Name:	2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE
Formula:	C15 H14 N2 O2 S
SMILES:	N#Cc1c(cccc1N)S(=O)(=O)c2cc(cc(c2)C)C
InChi:	InChI=1S/C15H14N2O2S/c1-10-6-11(2)8-12(7-10)20(18,19)15-5-3-4-14(17)13(15)9-16/h3-8H,17H2,1-2H3
Definition date:	2001-07-19
Last modified:	2011-06-04
Identifier:	2-amino-6-[(3,5-dimethylphenyl)sulfonyl]benzonitrile

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