# cl_id

name: Baccatin III
cas: 27548-93-2
chebiid: CHEBI:32898
chemspiderid: 65366
formula: C31H38O11
inchikey: OVMSOCFBDVBLFW-VHLOTGQHSA-N
norman_susdat_id: NS00093867
pubchem_cid: 58838
smiles:
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C


name: Dioctylbis(oleoyloxy)stannane
cas: 27550-52-3
formula: C52H100O4Sn
inchikey: SNZAWIWMBQMVSB-BGSQTJHASA-L
norman_susdat_id: NS00050455
pubchem_cid: 53436525
smiles: O=C(O[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C18H34O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H100O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-43-47-51(53)55-57(49-45-41-19-15-11-7-3,50-46-42-20-16-12-8-4)56-52(54)48-44-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h27-30H,5-26,31-50H2,1-4H3


name: Acetamide, N-[3-[[(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]phenyl]-
cas: 27550-64-7
chemspiderid: 106833
dtxsid: DTXSID8067317
formula: C16H21N3O3
inchikey: QNRQNXKUSKBAET-UHFFFAOYSA-N
norman_susdat_id: NS00028321
pubchem_cid: 119654
smiles: CCN(CCN1C(=O)CCC1=O)c1cc(NC(=O)C)ccc1
inchi:
InChI=1S/C16H21N3O3/c1-3-18(9-10-19-15(21)7-8-16(19)22)14-6-4-5-13(11-14)17-12(2)20/h4-6,11H,3,7-10H2,1-2H3,(H,17,20)


name: Diisooctyl phthalate
cas: 27554-26-3
chebiid: CHEBI:34710
chemspiderid: 31280
formula: C24H38O4
inchikey: IJFPVINAQGWBRJ-UHFFFAOYSA-N
norman_susdat_id: NS00015578
pubchem_cid: 33934
smiles: CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C
inchi:
InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3


name: Dimethyloctadecyl[2-(octadecyloxy)-2-oxoethyl]ammonium chloride
cas: 27560-30-1
dtxsid: DTXSID80950231
formula: C40H82NO2
inchikey: ZNPSVTJRCXWFHZ-UHFFFAOYSA-M
norman_susdat_id: NS00051221
pubchem_cid: 21149406
smiles: [Cl-].O=C(OCCCCCCCCCCCCCCCCCC)C[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H82NO2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(3,4)39-40(42)43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-39H2,1-4H3;1H/q+1;/p-1


name: 5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 27564-02-9
dtxsid: DTXSID00885394
formula: C23H25ClN3
inchikey: RJGCNXIGYJWDRB-UHFFFAOYSA-M
norman_susdat_id: NS00051222
pubchem_cid: NA
smiles: [Cl-].N#CCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC(Cl)=CC3C2(C)C)C)C
inchi:
InChI=1/C23H25ClN3.ClH/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;/h6-13,16H,5,15H2,1-4H3;1H/q+1;/p-1


name: 1,3,3-trimethyl-2-[[(2-nitrophenyl)hydrazono]methyl]-3H-indolium chloride
cas: 27564-03-0
dtxsid: DTXSID60950234
formula: C18H20N4O2
inchikey: JVVULWCPWOSDLK-UHFFFAOYSA-N
norman_susdat_id: NS00049931
pubchem_cid: NA
smiles: [Cl-].O=[N+]([O-])C=1C=CC=CC1NN=CC2=[N+](C=3C=CC=CC3C2(C)C)C
inchi:
InChI=1/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H


name: 3-methyl-4-(pyrrolidin-1-yl)benzenediazonium hexafluoroarsenate
cas: 27569-09-1
formula: C11H14N3.AsF6
inchikey: OUCQCNMAAYRJTH-UHFFFAOYSA-N
norman_susdat_id: NS00083897
smiles: Cc1cc(ccc1N2CCCC2)[N+]#N.F[As-](F)(F)(F)(F)F
inchi:
InChI=1/C11H14N3.AsF6/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;2-1(3,4,5,6)7/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1


name: 4-pyrrolidinyl-m-toluenediazonium tetrachlorozincate (2:1)
cas: 27569-10-4
formula: C11H14N3
inchikey: SKBSTHRKFWHHRJ-UHFFFAOYSA-J
norman_susdat_id: NS00051223
pubchem_cid: 20493948
smiles: N#[N+]C1=CC=CC(=C1C2CNCC2)C.N#[N+]C1=CC=CC(=C1C2CNCC2)C.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H14N3.4ClH.Zn/c2*1-8-3-2-4-10(14-12)11(8)9-5-6-13-7-9;;;;;/h2*2-4,9,13H,5-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H14N3.Cl4Zn/c2*1-8-3-2-4-10(14-12)11(8)9-5-6-13-7-9;1-5(2,3)4/h2*2-4,9,13H,5-7H2,1H3;/q2*+1;-2


name: Tris(6-methylheptyl)amine
cas: 2757-28-0
dtxsid: DTXSID60863017
formula: C24H51N
inchikey: YKGBNAGNNUEZQC-UHFFFAOYSA-N
norman_susdat_id: NS00049088
pubchem_cid: 75991
smiles: N(CCCCCC(C)C)(CCCCCC(C)C)CCCCCC(C)C
inchi:
InChI=1/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3


name: Tropatepine
cas: 27574-24-9
chebiid: CHEBI:135419
chemspiderid: 65121
formula: C22H23N1S1
inchikey: JOQKFRLFXDPXHX-UHFFFAOYSA-N
norman_susdat_id: NS00015406
pubchem_cid: 198068
smiles: CN1C2CCC1CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)C2
inchi:
InChI=1S/C22H23NS/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22/h2-9,17-18H,10-14H2,1H3


name: 3-dibenzo[b,e]thiepin-11(6H)-ylidene-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
cas: 27574-25-0
formula: C22H23NS.ClH
inchikey: LVASURLUIYTDHW-UHFFFAOYSA-N
norman_susdat_id: NS00084656
smiles: Cl.CN1C2CCC1CC(=C3c4ccccc4CSc5ccccc35)C2
inchi:
InChI=1/C22H23NS.ClH/c1-23-17-10-11-18(23)13-16(12-17)22-19-7-3-2-6-15(19)14-24-21-9-5-4-8-20(21)22;/h2-9,17-18H,10-14H2,1H3;1H


name: 1,1'-(Dodecane-1,12-diyl)bis-1H-pyrrole-2,5-dione
cas: 27574-80-7
chemspiderid: 106838
dtxsid: DTXSID10181975
formula: C20H28N2O4
inchikey: OEUTXEVXKFXZPB-UHFFFAOYSA-N
norman_susdat_id: NS00028326
pubchem_cid: 119659
smiles: O=C1C=CC(=O)N1CCCCCCCCCCCCN1C(=O)C=CC1=O
inchi:
InChI=1S/C20H28N2O4/c23-17-11-12-18(24)21(17)15-9-7-5-3-1-2-4-6-8-10-16-22-19(25)13-14-20(22)26/h11-14H,1-10,15-16H2


name: 2,3-bis(1-oxopropoxy)propyl stearate
cas: 27579-33-5
dtxsid: DTXSID10950244
formula: C27H50O6
inchikey: OJHVHISDCQKHDC-UHFFFAOYSA-N
norman_susdat_id: NS00049932
pubchem_cid: 119614
smiles: O=C(OCC(OC(=O)CC)COC(=O)CCCCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C27H50O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)32-23-24(33-26(29)6-3)22-31-25(28)5-2/h24H,4-23H2,1-3H3


name: 4-(2,4-dichlorophenoxy)butyric acid, compound with dimethylamine (1:1)
cas: 2758-42-1
formula: C10H10Cl2O3.C2H7N
inchikey: KEIXJOCOXNOKHI-UHFFFAOYSA-N
norman_susdat_id: NS00083455
smiles: CNC.OC(=O)CCCOc1ccc(Cl)cc1Cl
inchi:
InChI=1/C10H10Cl2O3.C2H7N/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14;1-3-2/h3-4,6H,1-2,5H2,(H,13,14);3H,1-2H3


name: 3-(Phosphonooxy)-N-(o-tolyl)naphthalene-2-carboxamide
cas: 27580-13-8
chemspiderid: 106839
dtxsid: DTXSID50181979
formula: C18H16N1O5P1
inchikey: NQMNDWPDYBPJNO-UHFFFAOYSA-N
norman_susdat_id: NS00028329
pubchem_cid: 119660
smiles: Cc1c(NC(=O)c2c(OP(=O)(O)O)cc3ccccc3c2)cccc1
inchi:
InChI=1S/C18H16NO5P/c1-12-6-2-5-9-16(12)19-18(20)15-10-13-7-3-4-8-14(13)11-17(15)24-25(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)


name: 5-(N,N-diethylaminosulphonyl)-2-methoxybenzenediazonium chloride
cas: 27580-14-9
dtxsid: DTXSID60885395
formula: C11H16N3O3S
inchikey: KKLHKLGGOAYNBC-UHFFFAOYSA-M
norman_susdat_id: NS00049933
pubchem_cid: 2724076
smiles: [Cl-].N#[N+]C1=CC(=CC=C1OC)S(=O)(=O)N(CC)CC
inchi:
InChI=1/C11H16N3O3S.ClH/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1


name: 1-[(5,8-dihydro-1-naphthyl)oxy]-3-(isopropylamino)propan-2-ol
cas: 27581-00-6
dtxsid: DTXSID30950246
formula: C16H23NO2
inchikey: MMODIROKOSLUHP-UHFFFAOYSA-N
norman_susdat_id: NS00050458
pubchem_cid: 119661
smiles: OC(COC1=CC=CC2=C1CC=CC2)CNC(C)C
inchi:
InChI=1/C16H23NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-5,7,9,12,14,17-18H,6,8,10-11H2,1-2H3


cas: 27583-41-1
chemspiderid: 4942670
dtxsid: DTXSID7067322
formula: C21H19N3O5S1
inchikey: ZHDYUNFDUDYQNL-UHFFFAOYSA-N
norman_susdat_id: NS00028330
pubchem_cid: 119662
smiles: CCn1/c(=C/C=C/2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)/oc2c1cccc2
name:
Benzenesulfonic acid, 4-[4-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C21H19N3O5S/c1-3-23-18-6-4-5-7-19(18)29-20(23)13-12-17-14(2)22-24(21(17)25)15-8-10-16(11-9-15)30(26,27)28/h4-13H,3H2,1-2H3,(H,26,27,28)/b17-12+,20-13-


name: 4-(2-methoxyphenethyl)-a-phenylpiperazine-1-propanol dihydrochloride
cas: 27588-43-8
dtxsid: DTXSID00950258
formula: C22H30N2O2
inchikey: WJNYGRXVSVSSQX-UHFFFAOYSA-N
norman_susdat_id: NS00051225
pubchem_cid: 21123991
smiles: Cl.Cl.OC(C=1C=CC=CC1)CCN2CCN(CCC=3C=CC=CC3OC)CC2
inchi:
InChI=1/C22H30N2O2.2ClH/c1-26-22-10-6-5-9-20(22)11-13-23-15-17-24(18-16-23)14-12-21(25)19-7-3-2-4-8-19;;/h2-10,21,25H,11-18H2,1H3;2*1H


name: Azosemide
cas: 27589-33-9
chebiid: CHEBI:31248
chemspiderid: 2186
dtxsid: DTXSID7046910
formula: C12H11Cl1N6O2S2
inchikey: HMEDEBAJARCKCT-UHFFFAOYSA-N
norman_susdat_id: NS00002746
pubchem_cid: 2273
smiles: NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl
inchi:
InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)


name: Bunolol
cas: 27591-01-1
chebiid: CHEBI:29110
dtxsid: DTXSID7022702
formula: C17H25NO3
inchikey: IXHBTMCLRNMKHZ-UHFFFAOYSA-N
norman_susdat_id: NS00093645
smiles: CC(C)(C)NCC(O)COC1=CC=CC2=C1CCCC2=O
inchi:
InChI=1/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3


name: Oxazidione
cas: 27591-42-0
formula: C20H19NO3
inchikey: YYRYCTNXXHOENE-UHFFFAOYSA-N
norman_susdat_id: NS00049934
pubchem_cid: 119667
smiles: O=C1C=2C=CC=CC2C(=O)C1(C=3C=CC=CC3)CN4CCOCC4
inchi:
InChI=1/C20H19NO3/c22-18-16-8-4-5-9-17(16)19(23)20(18,15-6-2-1-3-7-15)14-21-10-12-24-13-11-21/h1-9H,10-14H2


cas: 27601-29-2
formula: C25H28N2O7
inchikey: GKLFTQJJYUFASW-FQEVSTJZSA-N
norman_susdat_id: NS00050065
pubchem_cid: 13384626
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CC2=CC=C(OCC=3C=CC=CC3)C=C2
name:
tert-butyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[[4-(benzyloxy)phenyl]methyl]ethyl]carbamate

inchi:
InChI=1/C25H28N2O7/c1-25(2,3)33-24(31)26-20(23(30)34-27-21(28)13-14-22(27)29)15-17-9-11-19(12-10-17)32-16-18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3,(H,26,31)


name: 1-(tributylstannyl)-1H-imidazole
cas: 27605-35-2
dtxsid: DTXSID30181997
formula: C15H30N2Sn
inchikey: GNABDJMISKSNIQ-UHFFFAOYSA-N
norman_susdat_id: NS00050050
pubchem_cid: NA
smiles: N=1C=CN(C1)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/3C4H9.C3H3N2.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-3H;/q;;;-1;+1/rC15H30N2Sn/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-11-10-16-15-17/h10-11,15H,4-9,12-14H2,1-3H3


name: 2,2'-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)imino)bisethanol
cas: 27607-36-9
chemspiderid: 106852
dtxsid: DTXSID90181998
formula: C14H14F17N1O2
inchikey: MOUDFVMYURTYQA-UHFFFAOYSA-N
norman_susdat_id: NS00018887
pubchem_cid: 119675
smiles: OCCN(CCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H14F17NO2/c15-7(16,1-2-32(3-5-33)4-6-34)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h33-34H,1-6H2


name: 2-((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)amino)ethanol
cas: 27607-42-7
chemspiderid: 106853
dtxsid: DTXSID50181999
formula: C12H10F17N1O1
inchikey: AFNLZEWJLHEBLO-UHFFFAOYSA-N
norman_susdat_id: NS00018888
pubchem_cid: 119676
smiles: OCCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H10F17NO/c13-5(14,1-2-30-3-4-31)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h30-31H,1-4H2


name: 1-Nonanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-
cas: 27607-61-0
chemspiderid: 106854
dtxsid: DTXSID7067324
formula: C9H4Cl1F15O2S1
inchikey: CBCLHIUXUOXITK-UHFFFAOYSA-N
norman_susdat_id: NS00011047
pubchem_cid: 119677
smiles: C([S](Cl)(=O)=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H4ClF15O2S/c10-28(26,27)2-1-3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)25/h1-2H2


name: 1,1'-(ethylene)bis[5-oxopyrrolidine-3-carboxylic] acid
cas: 2761-13-9
dtxsid: DTXSID30950281
formula: C12H16N2O6
inchikey: OGLQPNPPUWVJFV-UHFFFAOYSA-N
norman_susdat_id: NS00049090
pubchem_cid: 102876
smiles: O=C(O)C1CC(=O)N(CCN2C(=O)CC(C(=O)O)C2)C1
inchi:
InChI=1/C12H16N2O6/c15-9-3-7(11(17)18)5-13(9)1-2-14-6-8(12(19)20)4-10(14)16/h7-8H,1-6H2,(H,17,18)(H,19,20)


name: 2-decyltetradecyl laurate
cas: 27611-01-4
dtxsid: DTXSID50950283
formula: C36H72O2
inchikey: PRAQHFXSEMSCMI-UHFFFAOYSA-N
norman_susdat_id: NS00050836
pubchem_cid: 119680
smiles: O=C(OCC(CCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C36H72O2/c1-4-7-10-13-16-19-21-23-26-29-32-35(31-28-25-22-18-15-12-9-6-3)34-38-36(37)33-30-27-24-20-17-14-11-8-5-2/h35H,4-34H2,1-3H3


cas: 27617-34-1
dtxsid: DTXSID20660160
formula: C18H3F35O6
inchikey: AUFAGMAKCNOJNR-UHFFFAOYSA-N
norman_susdat_id: NS00109543
name:
2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-Icosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecan-1-ol

inchi:
InChI=1S/C18H3F35O6/c19-2(1-54,8(26,27)28)55-15(46,47)4(22,10(32,33)34)57-17(50,51)6(24,12(38,39)40)59-18(52,53)7(25,13(41,42)43)58-16(48,49)5(23,11(35,36)37)56-14(44,45)3(20,21)9(29,30)31/h54H,1H2

smiles:
OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: 1-Decanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-
cas: 27619-90-5
chemspiderid: 106863
dtxsid: DTXSID2067329
formula: C10H4Cl1F17O2S1
inchikey: BXLIWKCKMHDVHE-UHFFFAOYSA-N
norman_susdat_id: NS00011050
pubchem_cid: 119686
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[S](=O)(=O)Cl
inchi:
InChI=1S/C10H4ClF17O2S/c11-31(29,30)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2


name: (Perfluorodecanyl)ethylsulfonyl chloride
cas: 27619-91-6
chemspiderid: 106864
dtxsid: DTXSID1067330
formula: C12H4Cl1F21O2S1
inchikey: WYMPCOCJUKZUBF-UHFFFAOYSA-N
norman_susdat_id: NS00011058
pubchem_cid: 119687
smiles: C([S](Cl)(=O)=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H4ClF21O2S/c13-37(35,36)2-1-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)34/h1-2H2


name: Sodium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate
cas: 27619-94-9
dtxsid: DTXSID50896637
formula: C8H4F13NaO3S
inchikey: CJZMVGPCWZSDSZ-UHFFFAOYSA-M
norman_susdat_id: NS00110812
smiles: [Na+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H5F13O3S.Na/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);/q;+1/p-1


name: 6:2 Fluorotelomer sulfonic acid
cas: 27619-97-2
chemspiderid: 106865
dtxsid: DTXSID6067331
formula: C8H5F13O3S1
inchikey: VIONGDJUYAYOPU-UHFFFAOYSA-N
norman_susdat_id: NS00010579
pubchem_cid: 119688
smiles: FC(F)(CCS(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
eea_notation: CAS_27619-97-2
inchi:
InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)


name: Sodium undecylbenzenesulphonate
cas: 27636-75-5
dtxsid: DTXSID1029754
formula: C17H28O3S
inchikey: YDXPQRDEXXBSRQ-UHFFFAOYSA-M
norman_susdat_id: NS00050109
pubchem_cid: 172720
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCCC
inchi:
InChI=1/C17H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);/q;+1/p-1


name: GLYCERYL DILAURATE
cas: 27638-00-2
chemspiderid: 31319
formula: C27H52O5
inchikey: OQQOAWVKVDAJOI-UHFFFAOYSA-N
norman_susdat_id: NS00013693
pubchem_cid: 33979
smiles: CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C27H52O5/c1-3-5-7-9-11-13-15-17-19-21-26(29)31-24-25(23-28)32-27(30)22-20-18-16-14-12-10-8-6-4-2/h25,28H,3-24H2,1-2H3


name: Perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoyl fluoride
cas: 27639-98-1
chemspiderid: 106801
dtxsid: DTXSID40880242
formula: C12F24O4
inchikey: IIYQDKPSLAINNX-UHFFFAOYSA-N
norman_susdat_id: NS00018889
pubchem_cid: 119616
smiles: FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12F24O4/c13-1(37)2(14,6(19,20)21)38-11(33,34)4(17,8(25,26)27)40-12(35,36)5(18,9(28,29)30)39-10(31,32)3(15,16)7(22,23)24


name: 2-Hydroxyethyl dimethyl 3-stearamidopropyl ammonium nitrate
cas: 2764-13-8
chemspiderid: 56243
dtxsid: DTXSID0062632
formula: C25H53N2O2
inchikey: HNWNELAGDBSCDG-UHFFFAOYSA-O
norman_susdat_id: NS00020181
pubchem_cid: 62463
smiles: [O-][N+](=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
inchi:
InChI=1S/C25H52N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28/h28H,4-24H2,1-3H3/p+1


name: Nonacosan-15-one
cas: 2764-73-0
dtxsid: DTXSID40182016
formula: C29H58O
inchikey: FVKQALGTGOKSSK-UHFFFAOYSA-N
norman_susdat_id: NS00049091
pubchem_cid: 75997
smiles: O=C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1/C29H58O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: ERUCYL ERUCATE
cas: 27640-89-7
chemspiderid: 4896630
formula: C44H84O2
inchikey: BZUVPTAFNJMPEZ-XPWSMXQVSA-N
norman_susdat_id: NS00013655
pubchem_cid: 6365981
smiles: CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3/b19-17+,20-18+


name: Cyclic 3',5'-Thymidine Monophosphate
cas: 27646-59-9
dtxsid: DTXSID10332728
formula: C10H13N2O7P
inchikey: XLPGURCDSRIXFL-JGVFFNPUSA-N
norman_susdat_id: NS00099298
pubchem_cid: 461278
smiles: Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1


name: 2-(dimethylamino)ethyl diphenyl(prop-2-ynyloxy)acetate hydrochloride
cas: 2765-97-1
dtxsid: DTXSID4046442
formula: C21H23NO3
inchikey: RSBGQTFIHFGTSY-UHFFFAOYSA-N
norman_susdat_id: NS00049100
pubchem_cid: 17700
smiles: Cl.O=C(OCCN(C)C)C(OCC#C)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C21H23NO3.ClH/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3;/h1,5-14H,15-17H2,2-3H3;1H


name: 6-Amino-2-imino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-1(2H)-ol
cas: 27653-67-4
chemspiderid: 57569204
dtxsid: DTXSID30632419
formula: C14H18N4O4
inchikey: WDZLEQOJJCXUSW-UHFFFAOYSA-N
norman_susdat_id: NS00008302
pubchem_cid: NA
smiles: COc1cc(Cc2cnc(N)[n+]([O-])c2N)cc(OC)c1OC
inchi:
InChI=1S/C14H18N4O4/c1-20-10-5-8(6-11(21-2)12(10)22-3)4-9-7-17-14(16)18(19)13(9)15/h5-7H,4,15H2,1-3H3,(H2,16,17)


name: 5-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenol
cas: 27653-69-6
chemspiderid: NA
dtxsid: DTXSID10511435
formula: C13H16N4O3
inchikey: HWBPOLWLLFXEJY-UHFFFAOYSA-N
norman_susdat_id: NS00002074
pubchem_cid: 12849769
smiles: COc1cc(Cc2cnc(N)nc2N)cc(O)c1OC
inchi:
InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)


name: Sodium 6-hydroxy-5-(1-naphthylazo)naphthalene-2,4-disulphonate
cas: 2766-77-0
chebiid: CHEBI:87112
formula: C20H14N2O7S2
inchikey: FUGCXLNGEHFIOA-UHFFFAOYSA-L
norman_susdat_id: NS00049790
pubchem_cid: 165026
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=CC=4C=CC=CC34)=C2C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-17-9-8-13-10-14(30(24,25)26)11-18(31(27,28)29)19(13)20(17)22-21-16-7-3-5-12-4-1-2-6-15(12)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Dimethyloctadecyl[3-(trimethoxysilyl)propyl]ammonium chloride
cas: 27668-52-6
dtxsid: DTXSID4035542
formula: C26H58NO3Si
inchikey: WSFMFXQNYPNYGG-UHFFFAOYSA-M
norman_susdat_id: NS00050837
pubchem_cid: 62828
smiles: [Cl-].O(C)[Si](OC)(OC)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1


name: Triethyltin bromide
cas: 2767-54-6
formula: C6H15BrSn
inchikey: KQPIFPBKXYBDGV-UHFFFAOYSA-M
norman_susdat_id: NS00083469
smiles: [Br-].CC[Sn+](CC)CC
inchi:
InChI=1/3C2H5.BrH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15Sn.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1


name: (p-nitrobenzyl)triphenylphosphonium bromide
cas: 2767-70-6
dtxsid: DTXSID00950314
formula: C25H22NO2P
inchikey: IPJPTPFIJLFWLP-UHFFFAOYSA-M
norman_susdat_id: NS00049791
pubchem_cid: 197008
smiles: [Br-].O=[N+]([O-])C1=CC=C(C=C1)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1


cas: 27676-62-6
chemspiderid: 84061
dtxsid: DTXSID0027935
formula: C48H69N3O6
inchikey: VNQNXQYZMPJLQX-UHFFFAOYSA-N
norman_susdat_id: NS00002831
pubchem_cid: 93115
name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-

inchi:
InChI=1S/C48H69N3O6/c1-43(2,3)31-19-28(20-32(37(31)52)44(4,5)6)25-49-40(55)50(26-29-21-33(45(7,8)9)38(53)34(22-29)46(10,11)12)42(57)51(41(49)56)27-30-23-35(47(13,14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3

smiles:
CC(C)(C)c1cc(Cn2c(=O)n(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c(=O)n(Cc3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2=O)cc(c1O)C(C)(C)C


cas: 27678-26-8
formula: C26H18N4O8S2.2Na
inchikey: SBMCSHSFOZRNHP-UHFFFAOYSA-L
norman_susdat_id: NS00083983
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)Nc5cc(c(N)c4c5C(=O)c3ccccc3C4=O)S([O-])(=O)=O
name:
Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[4-[(4-sulphonatophenyl)azo]anilino]anthracene-2-sulphonate

inchi:
InChI=1/C26H18N4O8S2.2Na/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35;;/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


name: 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]-L-alanine
cas: 2768-53-8
dtxsid: DTXSID70950341
formula: C20H22N2O5
inchikey: BVNXQVWGWUHKMK-YOEHRIQHSA-N
norman_susdat_id: NS00048449
pubchem_cid: 6999126
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)CC=2C=CC=CC2)C
inchi:
InChI=1/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)


name: 9-(2-carboxyphenyl)-3,6-bis(ethylamino)xanthylium chloride
cas: 2768-89-0
formula: C24H23N2O3
inchikey: WUWVJHQLLYTZMT-UHFFFAOYSA-M
norman_susdat_id: NS00049112
pubchem_cid: NA
smiles: [Cl-].O=C(O)C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)NCC)NCC
inchi:
InChI=1/C24H22N2O3.ClH/c1-3-25-15-9-11-19-21(13-15)29-22-14-16(26-4-2)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;/h5-14,25-26H,3-4H2,1-2H3;1H


name: Quinaldine blue
cas: 2768-90-3
formula: C25H25N2.Cl
inchikey: FVMNARAKYNRZID-UHFFFAOYSA-M
norman_susdat_id: NS00083496
smiles: [Cl-].CC[n+]3c4ccccc4ccc3C=CC=C2\C=C/c1ccccc1N2CC
inchi:
InChI=1/C25H25N2.ClH/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1


name: Benzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis[2,3,4,5-tetrachloro-
cas: 27685-83-2
chemspiderid: 106873
dtxsid: DTXSID6067333
formula: C28H10Cl8N2O4
inchikey: BALJRXVQKKKPAL-UHFFFAOYSA-N
norman_susdat_id: NS00028348
pubchem_cid: 119697
smiles: Clc1c(Cl)c(Cl)c(Cl)c(c1)C(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)c3cc(Cl)c(Cl)c(Cl)c3Cl)c1C2=O
inchi:
InChI=1S/C28H10Cl8N2O4/c29-13-7-11(19(31)23(35)21(13)33)27(41)37-15-5-1-3-9-17(15)26(40)10-4-2-6-16(18(10)25(9)39)38-28(42)12-8-14(30)22(34)24(36)20(12)32/h1-8H,(H,37,41)(H,38,42)


name: Masoprocol
cas: 27686-84-6
chebiid: CHEBI:73468
dtxsid: DTXSID5045178
formula: C18H22O4
inchikey: HCZKYJDFEPMADG-TXEJJXNPSA-N
norman_susdat_id: NS00068157
pubchem_cid: 71398
smiles: C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
inchi:
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+


name: {(Propane-2,2-diyl)bis[(4,1-phenylene)oxy]propane-3,1-diyl} bis(2-methylprop-2-enoate)
cas: 27689-12-9
chemspiderid: 85178
dtxsid: DTXSID20950351
formula: C29H36O6
inchikey: OPZLDVPRAIERSE-UHFFFAOYSA-N
norman_susdat_id: NS00008887
pubchem_cid: 94384
smiles: CC(=C)C(=O)OCCCOc1ccc(cc1)C(C)(C)c1ccc(OCCCOC(=O)C(C)=C)cc1
inchi:
InChI=1S/C29H36O6/c1-21(2)27(30)34-19-7-17-32-25-13-9-23(10-14-25)29(5,6)24-11-15-26(16-12-24)33-18-8-20-35-28(31)22(3)4/h9-16H,1,3,7-8,17-20H2,2,4-6H3


name: 2,4-bis(1-phenylethyl)phenol
cas: 2769-94-0
dtxsid: DTXSID50863021
formula: C22H22O
inchikey: RCFAHSGZAAFQJH-UHFFFAOYSA-N
norman_susdat_id: NS00048450
pubchem_cid: 102877
smiles: OC1=CC=C(C=C1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C
inchi:
InChI=1/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3


name: Dipotassium 9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonate
cas: 27690-02-4
formula: C14H8O8S2.2K
inchikey: OBUXZYGZZJCYID-UHFFFAOYSA-L
norman_susdat_id: NS00083988
smiles: [K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12
inchi:
InChI=1/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: 3,4,5,6-tetrachloro-N-[2-(4,5,6,7-tetrachloro-3-hydroxy-1-oxo-1H-inden-2-yl)-8-quinolyl]phthalimide
cas: 27692-59-7
dtxsid: DTXSID60950355
formula: C26H6Cl8N2O4
inchikey: VFBUXDPFFMEKKG-UHFFFAOYSA-N
norman_susdat_id: NS00049530
pubchem_cid: 119700
smiles: O=C1C=2C(Cl)=C(Cl)C(Cl)=C(Cl)C2C(O)=C1C=3N=C4C(C=CC=C4N5C(=O)C=6C(Cl)=C(Cl)C(Cl)=C(Cl)C6C5=O)=CC3
inchi:
InChI=1/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,37H


name: Bis[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]isopropylammonium] sulphate
cas: 27693-62-5
formula: C11H15NO3.1/2H2O4S
inchikey: BHSSANLYCSQQAM-UHFFFAOYSA-N
norman_susdat_id: NS00084466
smiles: CC(C)[NH2+]CC(=O)c1ccc(O)c(O)c1.CC(C)[NH2+]CC(=O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C11H15NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h2*3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)


name: 4-((4-Amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino)toluene-3-sulphonic acid
cas: 27711-76-8
chemspiderid: 70496
dtxsid: DTXSID40182071
formula: C22H18N2O5S1
inchikey: NPTFPGVUCJVNBW-UHFFFAOYSA-N
norman_susdat_id: NS00028357
pubchem_cid: 78119
smiles: Cc1cc(c(Nc2cc(C)c(N)c3c2C(=O)c2c(cccc2)C3=O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C22H18N2O5S/c1-11-7-8-15(17(9-11)30(27,28)29)24-16-10-12(2)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)


name: 4-Hydroxybenoyl-Coa
cas: 27718-41-8
chebiid: CHEBI:15500
dtxsid: DTXSID00950415
formula: C28H40N7O18P3S
inchikey: LTVXPVBFJBTNIJ-TYHXJLICSA-N
norman_susdat_id: NS00073103
pubchem_cid: 168718
inchi:
InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1

smiles:
CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1


name: 2,4-Bis(1-methyl-1-phenylethyl)phenol
cas: 2772-45-4
chemspiderid: 68512
dtxsid: DTXSID7029241
formula: C24H26O1
inchikey: FMUYQRFTLHAARI-UHFFFAOYSA-N
norman_susdat_id: NS00006892
pubchem_cid: 76013
smiles: CC(C)(c1ccccc1)c1ccc(O)c(c1)C(C)(C)c1ccccc1
inchi:
InChI=1S/C24H26O/c1-23(2,18-11-7-5-8-12-18)20-15-16-22(25)21(17-20)24(3,4)19-13-9-6-10-14-19/h5-17,25H,1-4H3


name: Cetraxate hydrochloride
cas: 27724-96-5
chemspiderid: 18546511
dtxsid: DTXSID3046459
formula: C17H23N1O4
inchikey: USROQQUKEBHOFF-SKKCDYJJSA-N
norman_susdat_id: NS00028358
pubchem_cid: NA
smiles: Cl.NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc(CCC(=O)O)cc1
inchi:
InChI=1S/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)/t13-,14-


name: Phenol, 2,2'-methylenebis[4-(1,1,3,3-tetramethylbutyl)-
cas: 27725-17-3
chemspiderid: 99150
dtxsid: DTXSID1067336
formula: C29H44O2
inchikey: NHKWEDRAPLIPAU-UHFFFAOYSA-N
norman_susdat_id: NS00028359
pubchem_cid: 110457
smiles: CC(C)(C)CC(C)(C)c1cc(Cc2c(O)ccc(c2)C(C)(C)CC(C)(C)C)c(O)cc1
inchi:
InChI=1S/C29H44O2/c1-26(2,3)18-28(7,8)22-11-13-24(30)20(16-22)15-21-17-23(12-14-25(21)31)29(9,10)19-27(4,5)6/h11-14,16-17,30-31H,15,18-19H2,1-10H3


cas: 27726-32-5
formula: C14H20N2O5S
inchikey: WYCUHWBZAWSQBN-KWQFWETISA-N
norman_susdat_id: NS00084010
smiles: CC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C
name:
(pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C14H20N2O5S/c1-7-5-22-11-8(15)10(17)16(11)9(7)12(18)20-6-21-13(19)14(2,3)4/h8,11H,5-6,15H2,1-4H3


name: 2,6-Bis(tert-butyl)-4-(4-morpholinylmethyl)phenol
cas: 2773-50-4
chemspiderid: 68513
dtxsid: DTXSID10182083
formula: C19H31N1O2
inchikey: KWGUJRCPGGSTKB-UHFFFAOYSA-N
norman_susdat_id: NS00028360
pubchem_cid: 76014
smiles: CC(C)(C)c1cc(CN2CCOCC2)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C19H31NO2/c1-18(2,3)15-11-14(13-20-7-9-22-10-8-20)12-16(17(15)21)19(4,5)6/h11-12,21H,7-10,13H2,1-6H3


name: 2-[(3-butyl-1-isoquinolyl)oxy]ethyl(dimethyl)ammonium chloride
cas: 2773-92-4
formula: C17H24N2O.ClH
inchikey: SEYCAKMZVYADRS-UHFFFAOYSA-N
norman_susdat_id: NS00083478
smiles: [Cl-].CCCCc1cc2ccccc2c(OCC[NH+](C)C)n1
inchi:
InChI=1/C17H24N2O.ClH/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3;/h6-8,10,13H,4-5,9,11-12H2,1-3H3;1H


name: AMMONIUM MYRETH SULFATE
cas: 27731-61-9
chemspiderid: 71750
formula: C28H58O1
inchikey: HANWHVWXFQSQGJ-UHFFFAOYSA-N
norman_susdat_id: NS00013361
pubchem_cid: 79433
smiles: [NH4+].CCCCCCCCCCCCCCOCCCCCCCCCCCCCC.[O-][S]([O-])(=O)=O
inchi:
InChI=1S/C28H58O.H3N.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h3-28H2,1-2H3;1H3;(H2,1,2,3,4)/p-1


name: Ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylate
cas: 27737-55-9
chemspiderid: 106882
dtxsid: DTXSID90182086
formula: C18H17N1O3
inchikey: HIQPISGKBJHKIN-UHFFFAOYSA-N
norman_susdat_id: NS00028361
pubchem_cid: 119707
smiles: CCOC(=O)c1cc2c([nH]1)cccc2OCc1ccccc1
inchi:
InChI=1S/C18H17NO3/c1-2-21-18(20)16-11-14-15(19-16)9-6-10-17(14)22-12-13-7-4-3-5-8-13/h3-11,19H,2,12H2,1H3


name: Oleic acid, compound with ethane-1,2-diamine
cas: 27738-73-4
formula: C18H34O2.xC2H8N2
inchikey: WODXGCGEKYXYEZ-KVVVOXFISA-N
norman_susdat_id: NS00084011
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCN
inchi:
InChI=1/C18H34O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H2


name: Disodium 3,3'-dithiobis(benzenesulphonate)
cas: 27738-87-0
dtxsid: DTXSID80950433
formula: C12H10O6S4
inchikey: INBXJOCVGSWJRR-UHFFFAOYSA-L
norman_susdat_id: NS00050193
pubchem_cid: 56843491
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(SSC2=CC=CC(=C2)S(=O)(=O)[O-])C1
inchi:
InChI=1/C12H10O6S4.2Na/c13-21(14,15)11-5-1-3-9(7-11)19-20-10-4-2-6-12(8-10)22(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2


name: Scutellarin
cas: 27740-01-8
chebiid: CHEBI:61278
chemspiderid: 161366
formula: C21H18O12
inchikey: DJSISFGPUUYILV-ZFORQUDYSA-N
norman_susdat_id: NS00015058
pubchem_cid: 185617
smiles: OC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(c2O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
inchi:
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1


name: Erythrinan, 1,2,6,7-tetradehydro-3,15,16-trimethoxy-, (3beta)-
cas: 27740-43-8
chebiid: CHEBI:4838
chemspiderid: 390718
dtxsid: DTXSID80182090
formula: C19H23NO3
inchikey: WXVSPYOOFCCEII-KXBFYZLASA-N
norman_susdat_id: NS00094798
pubchem_cid: 442219
smiles: CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
inchi:
InChI=1S/C19H23NO3/c1-21-15-5-4-14-7-9-20-8-6-13-10-17(22-2)18(23-3)11-16(13)19(14,20)12-15/h4-5,7,10-11,15H,6,8-9,12H2,1-3H3/t15-,19-/m0/s1


name: Geniposidic acid
cas: 27741-01-1
chebiid: CHEBI:5301
dtxsid: DTXSID40182091
formula: C16H22O10
inchikey: ZJDOESGVOWAULF-OGJQONSISA-N
norman_susdat_id: NS00097611
smiles: C1C=C([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO
inchi:
InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1


name: Ditridecyl dodecanedioate
cas: 27742-10-5
chemspiderid: 106885
dtxsid: DTXSID00182092
formula: C38H74O4
inchikey: XEEGJDISKZUVQO-UHFFFAOYSA-N
norman_susdat_id: NS00028362
pubchem_cid: 119710
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-19-23-27-31-35-41-37(39)33-29-25-21-17-18-22-26-30-34-38(40)42-36-32-28-24-20-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Pahutoxin
cas: 27742-14-9
chebiid: CHEBI:80781
dtxsid: DTXSID80896908
formula: C23H46ClNO4
inchikey: NJEOXMPQOCEVAI-FTBISJDPSA-M
norman_susdat_id: NS00075532
smiles: [Cl-].CCCCCCCCCCCCC[C@@H](CC(=O)OCC[N+](C)(C)C)OC(C)=O
inchi:
InChI=1S/C23H46NO4.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(28-21(2)25)20-23(26)27-19-18-24(3,4)5;/h22H,6-20H2,1-5H3;1H/q+1;/p-1/t22-;/m0./s1


cas: 27744-59-8
dtxsid: DTXSID80564034
formula: C7F16O4S
inchi: InChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25
inchikey: VQUXEUQKVBTRLT-UHFFFAOYSA-N
norman_susdat_id: NS00111597
smiles: FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)S(F)(=O)=O)C(F)(F)F
name:
1,1,2,2-Tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonyl fluoride


name: 3-hydroxy-4-(phenylazo)-2-naphthoic acid
cas: 27757-79-5
formula: C17H12N2O3
inchikey: DYMRMULFWJUGDJ-UHFFFAOYSA-N
norman_susdat_id: NS00083722
smiles: OC(=O)c3cc1ccccc1c(N=Nc2ccccc2)c3O
inchi:
InChI=1/C17H12N2O3/c20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12/h1-10,20H,(H,21,22)


name: 4-[(4-chloro-5-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 27757-95-5
formula: C18H13ClN2O6S
inchikey: BZRQQRFJGITEMV-UHFFFAOYSA-N
norman_susdat_id: NS00083723
smiles: Cc3cc(N=Nc1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O
inchi:
InChI=1/C18H13ClN2O6S/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)


name: 2-Acetamido-N-β-aspartyl-2-deoxyhexopyranosylamine
cas: 2776-93-4
chebiid: CHEBI:58080
chemspiderid: 110370
formula: C12H21N3O8
inchikey: YTTRPBWEMMPYSW-HRRFRDKFSA-N
norman_susdat_id: NS00014891
pubchem_cid: NA
smiles: O=C(NC1OC(C(O)C(O)C1NC(=O)C)CO)CC(C(=O)O)N
inchi:
InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1


name: 2,5,8,11,14,17,20,23,26,29,32-Undecaoxatritriacontane
cas: 27762-70-5
dtxsid: DTXSID50182103
formula: C22H46O11
inchikey: PDEOEGJBHWWNIL-UHFFFAOYSA-N
norman_susdat_id: NS00050195
pubchem_cid: 119713
smiles: O(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
inchi:
InChI=1/C22H46O11/c1-23-3-5-25-7-9-27-11-13-29-15-17-31-19-21-33-22-20-32-18-16-30-14-12-28-10-8-26-6-4-24-2/h3-22H2,1-2H3


name: 2,5-dimethoxy-4-[(4-nitrophenyl)azo]benzenediazonium
cas: 27766-47-8
dtxsid: DTXSID10885401
formula: C14H13N5O4
inchikey: AXQTUUPVMIBBKV-UHFFFAOYSA-N
norman_susdat_id: NS00050156
pubchem_cid: 119714
smiles: N#[N+]C1=CC(OC)=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C=C1OC
inchi:
InChI=1/C14H12N5O4/c1-22-13-8-12(14(23-2)7-11(13)16-15)18-17-9-3-5-10(6-4-9)19(20)21/h3-8H,1-2H3/q+1


name: .beta.-Alanine, N-(2-cyanoethyl)-N-[4-[(2-cyano-4-nitrophenyl)azo]phenyl]-, methyl ester
cas: 27767-98-2
chemspiderid: 21173195
dtxsid: DTXSID5067340
formula: C20H18N6O4
inchikey: CUPYBRUIBNYSDK-UHFFFAOYSA-N
norman_susdat_id: NS00021099
pubchem_cid: NA
smiles: COC(=O)CCN(CCC#N)c1ccc(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C20H18N6O4/c1-30-20(27)9-12-25(11-2-10-21)17-5-3-16(4-6-17)23-24-19-8-7-18(26(28)29)13-15(19)14-22/h3-8,13H,2,9,11-12H2,1H3/b24-23+


name: Chloro-o-tolylmercury
cas: 2777-37-9
formula: C7H7ClHg
inchikey: AFCVKFFKAKDREZ-UHFFFAOYSA-M
norman_susdat_id: NS00083497
smiles: Cc1ccccc1[Hg]Cl
inchi:
InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3


name: Zygacine
cas: 2777-79-9
chemspiderid: 21573746
formula: C29H45NO8
inchikey: IGDRXLIXNAWBBF-JRLIYKMQSA-N
norman_susdat_id: NS00094305
pubchem_cid: 10181195
smiles:
C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)CC[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)OC(=O)C)C)(C)O


name: [<U+0394>5,5'(6H,6'H)-bifluorantheno[3,2-b]thiophene]-6,6'-dione
cas: 27772-09-4
formula: C36H16O2S2
inchikey: KXKKHISGEVNMPR-UHFFFAOYSA-N
norman_susdat_id: NS00049573
pubchem_cid: NA
smiles: O=C1C(SC=2C1=CC=3C4=CC=CC=C4C5=CC=CC2C53)=C6SC=7C(=CC=8C9=CC=CC=C9C%10=CC=CC7C%108)C6=O
inchi:
InChI=1/C36H16O2S2/c37-31-27-15-25-19-9-3-1-7-17(19)21-11-5-13-23(29(21)25)33(27)39-35(31)36-32(38)28-16-26-20-10-4-2-8-18(20)22-12-6-14-24(30(22)26)34(28)40-36/h1-16H


name: (3a,16a)-eburnamenine-14-carboxylic acid
cas: 27773-65-5
dtxsid: DTXSID80950458
formula: C20H22N2O2
inchikey: ZFCQLDAGNBFMJQ-QUCCMNQESA-N
norman_susdat_id: NS00049592
pubchem_cid: 160154
smiles: O=C(O)C1=CC2(CC)CCCN3CCC=4C=5C=CC=CC5N1C4C32
inchi:
InChI=1/C20H22N2O2/c1-2-20-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(17(14)18(20)21)16(12-20)19(23)24/h3-4,6-7,12,18H,2,5,8-11H2,1H3,(H,23,24)


name: Vanadium oxide sulphate
cas: 27774-13-6
chebiid: CHEBI:33146
formula: O5SV
inchikey: UUUGYDOQQLOJQA-UHFFFAOYSA-L
norman_susdat_id: NS00084017
smiles: [O-]S(=O)(=O)[O-].O=[V+2]
inchi:
InChI=1/H2O4S.O.V/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;;+2/p-2/rH2O4S.OV/c1-5(2,3)4;1-2/h(H2,1,2,3,4);/q;+2/p-2


name: Tetrapropylammonium perfluorooctanoate
cas: 277749-00-5
dtxsid: DTXSID00893530
formula: C20H28F15NO2
inchikey: SQZKYYKNHHTOIT-UHFFFAOYSA-M
norman_susdat_id: NS00108943
smiles: CCC[N+](CCC)(CCC)CCC.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H28N.C8HF15O2/c1-5-9-13(10-6-2,11-7-3)12-8-4;9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h5-12H2,1-4H3;(H,24,25)/q+1;/p-1


cas: 277752-44-0
dtxsid: DTXSID60882889
norman_susdat_id: NS00110988
name:
Hexanedioic acid, dimethyl ester, polymers with 2,2-bis (bromomethyl)-1,3-propanediol-ethenediol-tetrafluoroethylene telomer reaction products


name: 2,2'-(Diazene-1,2-diyldiethane-1,1-diyl)bis-4,5-dihydro-1H-imidazole dihydrochloride
cas: 27776-21-2
chemspiderid: 106806
dtxsid: DTXSID0049444
formula: C12H22N6
inchikey: RVFZRQFHSNGFBI-UHFFFAOYNA-N
norman_susdat_id: NS00020290
pubchem_cid: NA
smiles: [Cl-].[Cl-].CC(CN=NCC(C)C1=NCCN1)C1=NCCN1.[H+].[H+]
inchi:
InChI=1S/C12H22N6/c1-9(11-13-3-4-14-11)7-17-18-8-10(2)12-15-5-6-16-12/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)/b18-17+/t9-,10+


name: 2-[7-(diethylamino)-2-imino-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazole trichlorozincate
cas: 27778-30-9
formula: C22H26N4O
inchikey: NRUOVXGSRRDJLV-UHFFFAOYSA-K
norman_susdat_id: NS00050157
pubchem_cid: 75124205
smiles: Cl[Zn-](Cl)Cl.N=C1OC=2C=C(C=CC2C=C1C3N(C=4C=CC=CC4N3C)C)N(CC)CC
inchi:
InChI=1/C22H26N4O.3ClH.Zn/c1-5-26(6-2)16-12-11-15-13-17(21(23)27-20(15)14-16)22-24(3)18-9-7-8-10-19(18)25(22)4;;;;/h7-14,22-23H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-3/rC22H26N4O.Cl3Zn/c1-5-26(6-2)16-12-11-15-13-17(21(23)27-20(15)14-16)22-24(3)18-9-7-8-10-19(18)25(22)4;1-4(2)3/h7-14,22-23H,5-6H2,1-4H3;/q;-1


name: Stearyl stearate
cas: 2778-96-3
chemspiderid: 16748
dtxsid: DTXSID5062639
formula: C36H72O2
inchikey: NKBWPOSQERPBFI-UHFFFAOYSA-N
norman_susdat_id: NS00014133
pubchem_cid: 17720
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3


cas: 27795-22-8
formula: C10H12N2O5S.xNa
inchikey: PVCIUMOLXPZFHR-YDYUUSCQSA-M
norman_susdat_id: NS00083730
smiles: [Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](N)C2=O)C(=O)[O-]
name:
Sodium (6R-trans)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C10H12N2O5S.Na/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16;/h6,9H,2-3,11H2,1H3,(H,15,16);/q;+1/p-1


name: Octyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannahexadecanoate
cas: 2781-09-1
formula: C28H56O4S2Sn
inchikey: DXOBKWDLTMLJLX-UHFFFAOYSA-L
norman_susdat_id: NS00049114
pubchem_cid: NA
smiles: O=C(OCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-12-10(11)9-13;2*1-3-4-2;/h2*13H,2-9H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-5-9-13-15-17-19-21-31-27(29)25-33-35(23-11-7-3,24-12-8-4)34-26-28(30)32-22-20-18-16-14-10-6-2/h5-26H2,1-4H3


name: Dibutyltin bis(2-ethylhexanoate)
cas: 2781-10-4
dtxsid: DTXSID9051953
inchikey: GPDWNEFHGANACG-UHFFFAOYSA-L
norman_susdat_id: NS00076486
pubchem_cid: 16682803
smiles: CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
inchi:
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2


name: Fumiquinazoline H
cas: 278184-55-7
chemspiderid: 8728308
dtxsid: DTXSID20893315
formula: C27H27N5O4
inchikey: SJNRYASCJOVKHZ-MBLBISRUSA-N
norman_susdat_id: NS00094922
pubchem_cid: 101027374
smiles: CC(C)C[C@H]1C(=O)N2C(N1)[C@@]3(C[C@@H]4C(=O)N[C@](O3)(C5=NC6=CC=CC=C6C(=O)N45)C)C7=CC=CC=C72
inchi:
InChI=1S/C27H27N5O4/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(3,36-27)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20+,25?,26+,27+/m0/s1


cas: 27820-51-5
formula: C41H28N6O15S4.4Li
inchikey: ONUQIYASPADTRB-UHFFFAOYSA-J
norman_susdat_id: NS00083755
name:
Tetralithium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C41H28N6O15S4.4Li/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].[O-]S(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4c(cc3cc(ccc3c4O)NC(=O)Nc5ccc8c(c5)cc(c(N=Nc6cc7ccc(cc7cc6)S([O-])(=O)=O)c8O)S([O-])(=O)=O)S([O-])(=O)=O


name: Thymidine 5'-(trisodium hydrogen triphosphate)
cas: 27821-54-1
formula: C10H17N2O14P3.3Na
inchikey: KNVJTOALWGZWAI-UHFFFAOYSA-K
norman_susdat_id: NS00083756
smiles: CC1=CN(C2CC(O)C(COP(=O)(O[Na])OP(=O)(O[Na])OP(=O)(O)O[Na])O2)C(=O)NC1=O
inchi:
InChI=1/C10H17N2O14P3.3Na/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);;;/q;3*+1/p-3/rC10H14N2Na3O14P3/c1-5-3-12(10(18)11-9(5)17)8-2-6(16)7(24-8)4-23-31(21,26-14)29-32(22,27-15)28-30(19,20)25-13/h3,6-8,16H,2,4H2,1H3,(H,19,20)(H,11,17,18)


name: 3-methyl-2-[2-methyl-3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]benzothiazolium iodide
cas: 2783-73-5
dtxsid: DTXSID10950507
formula: C20H19N2S2
inchikey: SYAZKCDPODSEIR-UHFFFAOYSA-M
norman_susdat_id: NS00047906
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC(=CC=3SC=4C=CC=CC4[N+]3C)C)C
inchi:
InChI=1/C20H19N2S2.HI/c1-14(12-19-21(2)15-8-4-6-10-17(15)23-19)13-20-22(3)16-9-5-7-11-18(16)24-20;/h4-13H,1-3H3;1H/q+1;/p-1


name: 2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:2)
cas: 2783-94-0
dtxsid: DTXSID6021456
formula: C16H10N2Na2O7S2
inchikey: OIQPTROHQCGFEF-UHFFFAOYSA-L
norman_susdat_id: NS00075658
smiles: [Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C2=C(C=C1)C=C(C=C2)S([O-])(=O)=O
inchi:
InChI=1S/C16H12N2O7S2.2Na/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: 2-(Octyloxy)benzoic acid
cas: 27830-12-2
chemspiderid: 11277436
dtxsid: DTXSID00602245
formula: C15H22O3
inchikey: VSDNNWKISVRDNT-UHFFFAOYSA-N
norman_susdat_id: NS00011475
pubchem_cid: 20082775
smiles: CCCCCCCCOc1ccccc1C(O)=O
inchi:
InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-14-11-8-7-10-13(14)15(16)17/h7-8,10-11H,2-6,9,12H2,1H3,(H,16,17)


name: Succinic acid, compound with 2-chloro-11-(4-methylpiperazin-1-yl)dibenz[b,f][1,4]oxazepine (1:1)
cas: 27833-64-3
chebiid: CHEBI:6549
formula: C18H18ClN3O.C4H6O4
inchikey: YQZBAXDVDZTKEQ-UHFFFAOYSA-N
norman_susdat_id: NS00084038
smiles: CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24.OC(=O)CCC(=O)O
inchi:
InChI=1/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)


name: Dodecyl D-glucoside
cas: 27836-64-2
dtxsid: DTXSID30893048
formula: C18H36O6
inchikey: PYIDGJJWBIBVIA-UHFFFAOYSA-N
norman_susdat_id: NS00049650
pubchem_cid: 369373
smiles: OCC1OC(OCCCCCCCCCCCC)C(O)C(O)C1O
inchi:
InChI=1/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3


name: Octadecyl D-glucoside
cas: 27836-65-3
formula: C24H48O6
inchikey: UFSKIYBOKFBSOA-UHFFFAOYSA-N
norman_susdat_id: NS00049667
pubchem_cid: 14309509
smiles: OCC1OC(OCCCCCCCCCCCCCCCCCC)C(O)C(O)C1O
inchi:
InChI=1/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-23(28)22(27)21(26)20(19-25)30-24/h20-28H,2-19H2,1H3


name: 5-(4-hydroxyphenyl)-5-phenylhydantoin
cas: 2784-27-2
chebiid: CHEBI:63804
chemspiderid: 16756
formula: C15H12N2O3
inchikey: XEEDURHPFVXALT-UHFFFAOYSA-N
norman_susdat_id: NS00007796
pubchem_cid: 17732
smiles: Oc1ccc(cc1)C1(NC(=O)NC1=O)c1ccccc1
inchi:
InChI=1S/C15H12N2O3/c18-12-8-6-11(7-9-12)15(10-4-2-1-3-5-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)


name: Thenalidine tartrate
cas: 2784-55-6
formula: C17H22N2S.C4H6O6
inchikey: JNZAGODMPIMPAM-UHFFFAOYSA-N
norman_susdat_id: NS00083242
smiles: CN1CCC(CC1)N(Cc2cccs2)c3ccccc3.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C17H22N2S.C4H6O6/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15;5-1(3(7)8)2(6)4(9)10/h2-8,13,16H,9-12,14H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: 6-O-Monoacetylmorphine
cas: 2784-73-8
chebiid: CHEBI:2168
chemspiderid: 4575434
dtxsid: DTXSID60182154
formula: C19H21N1O4
inchikey: JJGYGPZNTOPXGV-SSTWWWIQSA-N
norman_susdat_id: NS00000049
pubchem_cid: 5462507
smiles: CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)O
inchi:
InChI String: InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1


name: NEOPENTYL GLYCOL DICAPRATE
cas: 27841-06-1
chemspiderid: 106902
formula: C25H48O4
inchikey: BJDAUCLANVMIOB-UHFFFAOYSA-N
norman_susdat_id: NS00013883
pubchem_cid: 119729
smiles: CCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCC
inchi:
InChI=1S/C25H48O4/c1-5-7-9-11-13-15-17-19-23(26)28-21-25(3,4)22-29-24(27)20-18-16-14-12-10-8-6-2/h5-22H2,1-4H3


name: Nicergoline
cas: 27848-84-6
chemspiderid: 10043731
dtxsid: DTXSID7045607
formula: C24H26Br1N3O3
inchikey: YSEXMKHXIOCEJA-FVFQAYNVSA-O
norman_susdat_id: NS00007302
pubchem_cid: 11869400
smiles: CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)C[NH+](C)[C@@H]1Cc1cn(C)c3cccc2c13
inchi:
InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/p+1/t15-,21-,24+/m1/s1


name: 1-tetradecylpyridinium chloride
cas: 2785-54-8
formula: C19H34N.Cl
inchikey: YFVBASFBIJFBAI-UHFFFAOYSA-M
norman_susdat_id: NS00082908
smiles: [Cl-].CCCCCCCCCCCCCC[n+]1ccccc1
inchi:
InChI=1/C19H34N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;/h13,15-16,18-19H,2-12,14,17H2,1H3;1H/q+1;/p-1


name: (2,6-dimethoxyphenyl)lithium
cas: 2785-97-9
formula: C8H9LiO2
inchikey: CWBYDEZPTKOCLA-UHFFFAOYSA-N
norman_susdat_id: NS00083202
smiles: [Li]c1c(OC)cccc1OC
inchi:
InChI=1/C8H9O2.Li/c1-9-7-4-3-5-8(6-7)10-2;/h3-5H,1-2H3;/rC8H9LiO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3


name: 2-Perfluorooctyl ethanoic acid
cas: 27854-31-5
chemspiderid: 9169620
dtxsid: DTXSID50451109
formula: C10H3F17O2
inchikey: XTBXSCIWOVSSGB-UHFFFAOYSA-N
norman_susdat_id: NS00011081
pubchem_cid: 10994425
smiles: C(C(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)


name: tridecane, 2-methyl-2-phenyl-
cas: 27854-41-7
dtxsid: DTXSID50880697
formula: C20H34
inchikey: OTRFLMSAPMGKLY-UHFFFAOYSA-N
norman_susdat_id: NS00095929
smiles: CCCCCCCCCCCC(C)(C)c1ccccc1
inchi:
InChI=1S/C20H34/c1-4-5-6-7-8-9-10-11-15-18-20(2,3)19-16-13-12-14-17-19/h12-14,16-17H,4-11,15,18H2,1-3H3


name: Lamiide
cas: 27856-54-8
chebiid: CHEBI:6362
formula: C17H26O12
inchikey: VFYACENSDOLJGQ-SNONCDODSA-N
norman_susdat_id: NS00097605
smiles: C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
inchi:
InChI=1S/C17H26O12/c1-16(24)8(19)3-17(25)6(13(23)26-2)5-27-15(12(16)17)29-14-11(22)10(21)9(20)7(4-18)28-14/h5,7-12,14-15,18-22,24-25H,3-4H2,1-2H3/t7-,8+,9-,10+,11-,12-,14+,15+,16+,17+/m1/s1


name: Narcissidine
cas: 27857-07-4
chemspiderid: 391803
dtxsid: DTXSID50300406
formula: C18H23NO5
inchikey: OHZXJDOKMFHAFO-UHFFFAOYSA-N
norman_susdat_id: NS00094727
pubchem_cid: 443686
smiles: COC1C(O)C2C3N(CC=C3C1O)CC1=CC(OC)=C(OC)C=C21
inchi:
InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3


name: 2-(Tetrapropenyl)butanedioic acid
cas: 27859-58-1
chemspiderid: 92897
dtxsid: DTXSID0027937
formula: C16H28O4
inchikey: GGQRKYMKYMRZTF-HFBXSBKTSA-N
norman_susdat_id: NS00019400
pubchem_cid: 6455364
smiles: CCCC(CCC)(C(=O)O)C(CCC)(/C=C/C)C(=O)O
inchi:
InChI=1S/C16H28O4/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20/h5,9H,6-8,10-12H2,1-4H3,(H,17,18)(H,19,20)/b9-5+/t15-/m1/s1


name: 1-amino-4-anilino-9,10-dihydro-9,10-dioxo-2-anthracenesulphonic acid
cas: 2786-71-2
formula: C20H14N2O5S
inchikey: OPBOOIFXQHPAPJ-UHFFFAOYSA-N
norman_susdat_id: NS00083559
smiles: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccccc4)cc1S(=O)(=O)O
inchi:
InChI=1/C20H14N2O5S/c21-18-15(28(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2,(H,25,26,27)


name: C.I. Pigment Red 170
cas: 2786-76-7
dtxsid: DTXSID7029243
formula: C26H22N4O4
inchikey: BGVYDWVAGZBEMJ-UHFFFAOYSA-N
norman_susdat_id: NS00048670
pubchem_cid: 17740
smiles: O=C(N)C1=CC=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OCC)C=C1
inchi:
InChI=1/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)


name: 2-Naphthalenecarboxamide, 4-[(5-chloro-2-methylphenyl)azo]-3-hydroxy-N-(2-methylphenyl)-
cas: 2786-85-8
dtxsid: DTXSID9062641
formula: C25H20ClN3O2
inchikey: FVCHXOWNCNHXHX-UHFFFAOYSA-N
norman_susdat_id: NS00048593
pubchem_cid: 76033
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4C)=C2O
inchi:
InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-21(15)27-25(31)20-13-17-8-4-5-9-19(17)23(24(20)30)29-28-22-14-18(26)12-11-16(22)2/h3-14,30H,1-2H3,(H,27,31)


name: 2,5,8,11,14,17,20,23,26,29-decaoxatriacontane
cas: 27867-19-2
dtxsid: DTXSID80182171
formula: C20H42O10
inchikey: FDXQLPHYJKXLSO-UHFFFAOYSA-N
norman_susdat_id: NS00049747
pubchem_cid: 119732
smiles: O(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOC
inchi:
InChI=1/C20H42O10/c1-21-3-5-23-7-9-25-11-13-27-15-17-29-19-20-30-18-16-28-14-12-26-10-8-24-6-4-22-2/h3-20H2,1-2H3


name: 17a-hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
cas: 2787-02-2
chemspiderid: 2299104
formula: C22H28O3
inchikey: FYEOMZSZJFOTGQ-GXWGVVPNSA-N
norman_susdat_id: NS00007018
pubchem_cid: 3034680
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(C[C@]34C)=C/O)[C@@H]1CC[C@@]2(O)C#C
inchi:
InChI=1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1


name: Dinonyl fumarate
cas: 2787-63-5
formula: C22H40O4
inchikey: PQJYOOFQDXGDDS-ISLYRVAYSA-N
norman_susdat_id: NS00083560
smiles: CCCCCCCCCOC(=O)\C=C\C(=O)OCCCCCCCCC
inchi:
InChI=1/C22H40O4/c1-3-5-7-9-11-13-15-19-25-21(23)17-18-22(24)26-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-20H2,1-2H3


name: Fluorescent Yellow 3G
cas: 27870-92-4
chemspiderid: 106906
dtxsid: DTXSID9065314
formula: C36H61N1O2S1
inchikey: YDQLECBCTASDOZ-UHFFFAOYSA-N
norman_susdat_id: NS00005979
pubchem_cid: 119733
smiles: CCCCCCCCCCCCCCCCCCn1c(=O)c2ccc3sc4ccccc4c4ccc(c2c34)c1=O
inchi:
InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3


name: Trimethyl-3-[(1-oxooctadecyl)amino]propylammonium dimethyl phosphate
cas: 27870-96-8
formula: C24H51N2O.C2H6O4P
inchikey: CHDAPEWXBNJEQZ-UHFFFAOYSA-N
norman_susdat_id: NS00083499
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COP(=O)([O-])OC
inchi:
InChI=1/C24H50N2O.C2H7O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-7(3,4)6-2/h5-23H2,1-4H3;1-2H3,(H,3,4)


name: CI 75100
cas: 27876-94-4
chebiid: CHEBI:3918
chemspiderid: 4444644
formula: C20H24O4
inchikey: PANKHBYNKQNAHN-MQQNZMFNSA-N
norman_susdat_id: NS00013532
pubchem_cid: 5281232
smiles: CC(=C/C=C/C=C(C)/C=C/C=C(C)C(O)=O)C=CC=C(/C)C(O)=O
inchi:
InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+


name: Para-Nitrophenyl 1-Thio-Beta-D-Glucopyranoside
cas: 2788-56-9
dtxsid: DTXSID70950563
formula: C12H15NO7S
inchikey: IXFOBQXJWRLXMD-ZIQFBCGOSA-N
norman_susdat_id: NS00070879
pubchem_cid: 656902
smiles: O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
inchi:
InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1


name: (6Z,9Z)-N,N-bis(2-hydroxyethyl)octadeca-6,9-dien-1-amide
cas: 27883-12-1
dtxsid: DTXSID90885404
formula: C22H41NO3
inchikey: XKYJMQUEXANIKY-UTJQPWESSA-N
norman_susdat_id: NS00049150
pubchem_cid: 6436728
smiles: O=C(N(CCO)CCO)CCCCC=CCC=CCCCCCCCC
inchi:
InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,12-13,24-25H,2-8,11,14-21H2,1H3


name: Imidocarb
cas: 27885-92-3
chebiid: CHEBI:51804
chemspiderid: 20102
dtxsid: DTXSID0048345
formula: C19H20N6O1
inchikey: SCEVFJUWLLRELN-UHFFFAOYSA-N
norman_susdat_id: NS00000020
pubchem_cid: 21389
smiles: c1cc(cc(c1)NC(=O)Nc2cccc(c2)C3=NCCN3)C4=NCCN4
inchi:
InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)


name: 1-chloro-3-(octadecyloxy)propan-2-ol
cas: 27886-13-1
dtxsid: DTXSID50950566
formula: C21H43ClO2
inchikey: QHHAXEWGDRYRCY-UHFFFAOYSA-N
norman_susdat_id: NS00050482
pubchem_cid: 119738
smiles: ClCC(O)COCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21,23H,2-20H2,1H3


name: Emepronium
cas: 27892-33-7
chebiid: CHEBI:135169
chemspiderid: 31386
formula: C20H28N
inchikey: JEJBJBKVPOWOQK-UHFFFAOYSA-N
norman_susdat_id: NS00068033
pubchem_cid: 34055
smiles: CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2
inchi:
InChI=1S/C20H28N/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,20H,5,16H2,1-4H3/q+1


name: Methyl N6-benzyloxycarbonyl-L-lysinate hydrochloride
cas: 27894-50-4
formula: C15H22N2O4
inchikey: QPNJISLOYQGQTI-ZOWNYOTGSA-N
norman_susdat_id: NS00050523
pubchem_cid: 119742
smiles: Cl.O=C(OCC=1C=CC=CC1)NCCCCC(N)C(=O)OC
inchi:
InChI=1/C15H22N2O4.ClH/c1-20-14(18)13(16)9-5-6-10-17-15(19)21-11-12-7-3-2-4-8-12;/h2-4,7-8,13H,5-6,9-11,16H2,1H3,(H,17,19);1H


name: Glycerol diricinoleate
cas: 27902-24-5
chemspiderid: 4942666
dtxsid: DTXSID4051954
formula: C39H72O7
inchikey: SUEGNWDYVDUYBZ-GJHDBBOXSA-N
norman_susdat_id: NS00013698
pubchem_cid: 6438175
smiles: CCCCCCC(O)C/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1S/C39H72O7/c1-3-5-7-21-27-35(40)29-23-17-13-9-11-15-19-25-31-38(43)45-33-37(42)34-46-39(44)32-26-20-16-12-10-14-18-24-30-36(41)28-22-8-6-4-2/h17-18,23-24,35-37,40-42H,3-16,19-22,25-34H2,1-2H3/b23-17+,24-18+


name: 8:2 Fluorotelomer acrylate
cas: 27905-45-9
chemspiderid: 106919
dtxsid: DTXSID5067348
formula: C13H7F17O2
inchikey: QUKRIOLKOHUUBM-UHFFFAOYSA-N
norman_susdat_id: NS00010993
pubchem_cid: 119747
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(C=C)=O
inchi:
InChI=1S/C13H7F17O2/c1-2-5(31)32-4-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2H,1,3-4H2


name: Kotanin
cas: 27909-08-6
chebiid: CHEBI:64454
chemspiderid: 31389
dtxsid: DTXSID00182193
formula: C24H22O8
inchikey: CSJOUDOXDHMIAH-UHFFFAOYSA-N
norman_susdat_id: NS00094887
pubchem_cid: 34059
smiles: CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC
inchi:
InChI=1S/C24H22O8/c1-11-7-13(27-3)21(23-19(11)15(29-5)9-17(25)31-23)22-14(28-4)8-12(2)20-16(30-6)10-18(26)32-24(20)22/h7-10H,1-6H3


name: N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine
cas: 2791-37-9
dtxsid: DTXSID70950583
formula: C24H50N4
inchikey: IVCPSJKBLYOZEG-UHFFFAOYSA-N
norman_susdat_id: NS00047968
pubchem_cid: 76038
smiles: N1=C(N(CC1)CCNCCN)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h26H,2-23,25H2,1H3


name: Dibenzyl L-aspartate
cas: 2791-79-9
chemspiderid: 313864
dtxsid: DTXSID80384577
formula: C18H19N1O4
inchikey: BQAMWLOABQRMAO-INIZCTEOSA-N
norman_susdat_id: NS00015980
pubchem_cid: 2808532
smiles: C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N
inchi:
InChI=1S/C18H19NO4/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14/h1-10,16H,11-13,19H2/t16-/m0/s1


cas: 27910-26-5
formula: C18H18N2O7S
inchikey: CNAGMNMBHMQZPF-UHFFFAOYSA-N
norman_susdat_id: NS00049209
pubchem_cid: 103548
smiles: O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(O)C=3C=CC=CC3
name:
[6R-(6a,7ß)]-3-(acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C18H18N2O7S/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26)


name: Tritetradecylamine
cas: 27911-72-4
chemspiderid: 106920
dtxsid: DTXSID20182195
formula: C42H87N1
inchikey: WFVLGDMOCAFNNS-UHFFFAOYSA-N
norman_susdat_id: NS00028385
pubchem_cid: 119748
smiles: CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1S/C42H87N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3


name: (-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalene-1(2H)-one hydrochloride
cas: 27912-14-7
formula: C17H25NO3.ClH
inchikey: DNTDOBSIBZKFCP-UHFFFAOYSA-N
norman_susdat_id: NS00084219
smiles: Cl.CC(C)(C)NCC(O)COc1cccc2C(=O)CCCc12
inchi:
InChI=1/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H


name: 1-deoxy-1-(ethylamino)-D-glucitol, compound with 4-hydroxy-3-iodo-5-nitrobenzonitrile (1:1)
cas: 27917-82-4
formula: C8H19NO5.C7H3IN2O3
inchikey: NIVIZBHSVXAGNW-ANJNCBFHSA-N
norman_susdat_id: NS00083836
smiles: CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Oc1c(I)cc(cc1[N+](=O)[O-])C#N
inchi:
InChI=1/C8H19NO5.C7H3IN2O3/c1-2-9-3-5(11)7(13)8(14)6(12)4-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h5-14H,2-4H2,1H3;1-2,11H


name: Sucrose tristearate
cas: 27923-63-3
dtxsid: DTXSID50182209
formula: C66H124O14
inchikey: OORGICIOKXRQBI-MCQPFKOBSA-N
norman_susdat_id: NS00050536
pubchem_cid: 89939826
inchi:
InChI=1/C66H124O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(70)76-62-60(73)55(52-67)75-65(63(62)77-58(71)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)80-66(54-69)64(61(74)56(53-68)79-66)78-59(72)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55-56,60-65,67-69,73-74H,4-54H2,1-3H3

smiles:
O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCCCCCC)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC


name: 4-[(1E)-Prop-1-en-1-yl]-4'-propyl-1,1'-bi(cyclohexane)
cas: 279246-65-0
chemspiderid: 11319969
dtxsid: DTXSID10624418
formula: C18H32
inchikey: IASLDLGGHXYCEO-HWKANZROSA-N
norman_susdat_id: NS00028388
pubchem_cid: 22290094
smiles: CCCC1CCC(CC1)C1CCC(CC1)C=CC
inchi:
InChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+/t15-,16-,17+,18+


name: Vapitadine
cas: 279253-83-7
dtxsid: DTXSID40229632
formula: C17H20N4O
inchikey: VQWGYPVNVICKFC-UHFFFAOYSA-N
norman_susdat_id: NS00068148
pubchem_cid: 9842252
smiles: NC(=O)c1cnc2n1CCc1ccccc1C21CCNCC1
inchi:
InChI=1S/C17H20N4O/c18-15(22)14-11-20-16-17(6-8-19-9-7-17)13-4-2-1-3-12(13)5-10-21(14)16/h1-4,11,19H,5-10H2,(H2,18,22)


name: Deoxyadenosine diphosphate (dADP)
cas: 2793-06-8
chebiid: CHEBI:16174
chemspiderid: 600
formula: C10H15N5O9P2
inchikey: DAEAPNUQQAICNR-RRKCRQDMSA-N
norman_susdat_id: NS00014811
pubchem_cid: 188966
smiles: O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
inchi:
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1


name: (2,3-dihydro-1H-inden-5-yl) hydrogen phenylmalonate
cas: 27932-00-9
dtxsid: DTXSID10865405
formula: C18H16O4
inchikey: ZPIUANRTQSWZBQ-UHFFFAOYSA-N
norman_susdat_id: NS00049211
pubchem_cid: 119755
smiles: O=C(O)C(C(=O)OC1=CC=C2C(=C1)CCC2)C=3C=CC=CC3
inchi:
InChI=1/C18H16O4/c19-17(20)16(13-5-2-1-3-6-13)18(21)22-15-10-9-12-7-4-8-14(12)11-15/h1-3,5-6,9-11,16H,4,7-8H2,(H,19,20)


name: 5,5'-(thiodimethylene)bis[4-phenyl-4H-1,2,4-triazole-2-thiol]
cas: 27934-38-9
formula: C18H20N6S3
inchikey: PYVHIVDMGYDSFX-UHFFFAOYSA-N
norman_susdat_id: NS00049824
pubchem_cid: 20839062
smiles: SN1N=C(N(C=2C=CC=CC2)C1)CSCC3=NN(S)CN3C=4C=CC=CC4
inchi:
InChI=1/C18H20N6S3/c25-23-13-21(15-7-3-1-4-8-15)17(19-23)11-27-12-18-20-24(26)14-22(18)16-9-5-2-6-10-16/h1-10,25-26H,11-14H2


name: Potassium nonylphenolate
cas: 27936-43-2
formula: C15H24O.K
inchikey: XPCLSVISJWLKJE-UHFFFAOYSA-M
norman_susdat_id: NS00083838
smiles: [K+].CCCCCCCCCc1ccccc1[O-]
inchi:
InChI=1/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1


name: 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol
cas: 27942-27-4
chemspiderid: 106929
dtxsid: DTXSID80182217
formula: C29H52O8
inchikey: ATBQNLZREVOGBO-UHFFFAOYSA-N
norman_susdat_id: NS00028389
pubchem_cid: 119758
smiles: CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C29H52O8/c1-2-3-4-5-6-7-8-9-28-10-12-29(13-11-28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h10-13,30H,2-9,14-27H2,1H3


name: Potassium heptadecafluorooctane-1-sulphonate
cas: 2795-39-3
formula: C8HF17O3S.K
inchikey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M
norman_susdat_id: NS00082938
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1


name: 6-Methyl-5,7,8,15-tetrahydrobis[1,3]benzodioxolo[5,6-c:5',6'-g]azecin-14(6H)-one
cas: 2795-55-3
dtxsid: DTXSID00178935
formula: C20H19NO5
inchikey: ZAALQOFZFANFTF-UHFFFAOYSA-N
norman_susdat_id: NS00097297
smiles: CN1CCC2=CC3=C(C=C2C(=O)CC4=CC5=C(C=C4C1)OCO5)OCO3
inchi:
InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3


name: 4,4',4''-Ethane-1,1,1-triyltriphenol
cas: 27955-94-8
chemspiderid: 84064
dtxsid: DTXSID2037712
formula: C20H18O3
inchikey: BRPSWMCDEYMRPE-UHFFFAOYSA-N
norman_susdat_id: NS00019386
pubchem_cid: 93118
smiles: CC(C1=CC=C(O)C=C1)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
inchi:
InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3


name: Nicomol
cas: 27959-26-8
chebiid: CHEBI:31904
dtxsid: DTXSID9048722
formula: C34H32N4O9
inchikey: VRAHPESAMYMDQI-UHFFFAOYSA-N
norman_susdat_id: NS00049213
pubchem_cid: 34081
smiles: O=C(OCC1(COC(=O)C=2C=NC=CC2)CCCC(COC(=O)C=3C=NC=CC3)(COC(=O)C=4C=NC=CC4)C1O)C=5C=NC=CC5
inchi:
InChI=1/C34H32N4O9/c39-28(24-6-1-12-35-16-24)44-20-33(21-45-29(40)25-7-2-13-36-17-25)10-5-11-34(32(33)43,22-46-30(41)26-8-3-14-37-18-26)23-47-31(42)27-9-4-15-38-19-27/h1-4,6-9,12-19,32,43H,5,10-11,20-23H2


cas: 27969-53-5
chemspiderid: 4942675
dtxsid: DTXSID9067352
formula: C26H29N3O5S1
inchikey: HLWYHLPFIFQUDD-UHFFFAOYSA-N
norman_susdat_id: NS00028394
pubchem_cid: 119763
smiles: CCn1/c(=CC(=C2C(=O)N(CCOC)C(=O)N(CCOC)C2=O)C)/sc2ccc3ccccc3c12
name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-methylethylidene]-1,3-bis(2-methoxyethyl)-

inchi:
InChI=1S/C26H29N3O5S/c1-5-27-21(35-20-11-10-18-8-6-7-9-19(18)23(20)27)16-17(2)22-24(30)28(12-14-33-3)26(32)29(25(22)31)13-15-34-4/h6-11,16H,5,12-15H2,1-4H3/b21-16+


cas: 27969-56-8
dtxsid: DTXSID4067353
formula: C25H22N4O8S2
inchikey: DJFUBWSUSQRGPS-UHFFFAOYSA-N
norman_susdat_id: NS00049813
pubchem_cid: NA
smiles: O=C1C(=CC=CC=CC2=C(O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C
name:
p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,30H,1-2H3,(H,32,33,34)(H,35,36,37)


cas: 27981-70-0
formula: C24H22N4O8S2
inchikey: VARNOVZXVVZGJQ-UHFFFAOYSA-N
norman_susdat_id: NS00050540
pubchem_cid: NA
smiles: O=C1C(=CC=C(C2=C(O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C
name:
p-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]but-2-enylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C24H22N4O8S2/c1-14(22-16(3)26-28(24(22)30)18-7-11-20(12-8-18)38(34,35)36)4-13-21-15(2)25-27(23(21)29)17-5-9-19(10-6-17)37(31,32)33/h4-13,30H,1-3H3,(H,31,32,33)(H,34,35,36)


name: 3-((1,3-Dioxo-3-(3-((1-oxooctadecyl)amino)phenyl)propyl)amino)-4-methoxybenzenesulphonic acid
cas: 27982-29-2
chemspiderid: 106948
dtxsid: DTXSID90182263
formula: C34H50N2O7S1
inchikey: WBRNAYOLDDFLPV-UHFFFAOYSA-N
norman_susdat_id: NS00028397
pubchem_cid: 119779
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc1c(OC)ccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C34H50N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33(38)35-28-20-18-19-27(24-28)31(37)26-34(39)36-30-25-29(44(40,41)42)22-23-32(30)43-2/h18-20,22-25H,3-17,21,26H2,1-2H3,(H,35,38)(H,36,39)(H,40,41,42)


name: 3-[m-[[2-(2,4-di-tert-pentylphenoxy)butyryl]amino]phenyl]-N-(o-methoxyphenyl)-3-oxopropionamide
cas: 27982-34-9
dtxsid: DTXSID10885406
formula: C36H46N2O5
inchikey: MYERYINJLCIOKL-UHFFFAOYSA-N
norman_susdat_id: NS00050541
pubchem_cid: 119780
smiles: O=C(NC=1C=CC=CC1OC)CC(=O)C=2C=CC=C(C2)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CC
inchi:
InChI=1/C36H46N2O5/c1-9-30(43-31-20-19-25(35(4,5)10-2)22-27(31)36(6,7)11-3)34(41)37-26-16-14-15-24(21-26)29(39)23-33(40)38-28-17-12-13-18-32(28)42-8/h12-22,30H,9-11,23H2,1-8H3,(H,37,41)(H,38,40)


cas: 27982-36-1
dtxsid: DTXSID70885407
formula: C33H47ClN2O4
inchikey: ICYVXWDOPHKLQR-UHFFFAOYSA-N
norman_susdat_id: NS00049814
pubchem_cid: 119781
smiles: O=C(NC1=CC(=CC=C1Cl)NC(=O)C(OC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)CC)CC(=O)C(C)(C)C
name:
N-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxovaleramide

inchi:
InChI=1/C33H47ClN2O4/c1-11-26(40-27-17-14-21(32(7,8)12-2)18-23(27)33(9,10)13-3)30(39)35-22-15-16-24(34)25(19-22)36-29(38)20-28(37)31(4,5)6/h14-19,26H,11-13,20H2,1-10H3,(H,35,39)(H,36,38)


name: Cyclohexyl-1,1'-biphenyl
cas: 27985-87-1
formula: C18H20
inchikey: GRZJZRHVJAXMRR-UHFFFAOYSA-N
norman_susdat_id: NS00049815
pubchem_cid: 19834728
smiles: C=1C=CC(=CC1)C=2C=CC=CC2C3CCCCC3
inchi:
InChI=1/C18H20/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2


name: Ethanol, 2-(nonylphenoxy)-
cas: 27986-36-3
chemspiderid: 149575
formula: C17H28O2
inchikey: IEORSVTYLWZQJQ-UHFFFAOYSA-N
norman_susdat_id: NS00008832
pubchem_cid: 171092
smiles: CCCCCCCCCc1ccccc1OCCO
inchi:
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-11-16-12-9-10-13-17(16)19-15-14-18/h9-10,12-13,18H,2-8,11,14-15H2,1H3


name: Bis(methylcyclohexyl) phthalate
cas: 27987-25-3
dtxsid: DTXSID00950677
formula: C22H30O4
inchikey: LBKFHGHXATXEBY-UHFFFAOYSA-N
norman_susdat_id: NS00050593
pubchem_cid: 3034464
smiles: O=C(OC1(C)CCCCC1)C=2C=CC=CC2C(=O)OC3(C)CCCCC3
inchi:
InChI=1/C22H30O4/c1-21(13-7-3-8-14-21)25-19(23)17-11-5-6-12-18(17)20(24)26-22(2)15-9-4-10-16-22/h5-6,11-12H,3-4,7-10,13-16H2,1-2H3


name: Bromophenol red
cas: 2800-80-8
chemspiderid: 68541
dtxsid: DTXSID50182284
formula: C19H12Br2O5S1
inchikey: OYCLSQDXZMROJK-UHFFFAOYSA-N
norman_susdat_id: NS00028403
pubchem_cid: 76047
smiles: Oc1c(Br)cc(cc1)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(O)cc1
inchi:
InChI=1S/C19H12Br2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H


name: Neomycin B sulphate
cas: 28002-70-2
chebiid: CHEBI:53636
formula: C23H46N6O13.xH2O4S
inchikey: OIXVKQDWLFHVGR-WQDIDPJDSA-N
norman_susdat_id: NS00083866
inchi:
InChI=1/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)

smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CN)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.OS(=O)(=O)O


name: L-lysine mono(1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate)
cas: 28003-86-3
formula: C6H14N2O2.C5H4N2O4
inchikey: FVGJURXBWORGKL-JEDNCBNOSA-N
norman_susdat_id: NS00083871
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)C1=CC(=O)NC(=O)N1
inchi:
InChI=1/C6H14N2O2.C5H4N2O4/c7-4-2-1-3-5(8)6(9)10;8-3-1-2(4(9)10)6-5(11)7-3/h5H,1-4,7-8H2,(H,9,10);1H,(H,9,10)(H2,6,7,8,11)


name: Magnesium bis(dinonylnaphthalenesulphonate)
cas: 28015-99-8
formula: C28H44O3S.1/2Mg
inchikey: QGEKBXUETMOETP-UHFFFAOYSA-L
norman_susdat_id: NS00084262
inchi:
InChI=1/2C28H44O3S.Mg/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2

smiles:
[Mg+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-]


name: Zinc bis(dinonylnaphthalenesulphonate)
cas: 28016-00-4
formula: C28H44O3S.1/2Zn
inchikey: COGHWIKGZJHSAG-UHFFFAOYSA-L
norman_susdat_id: NS00083872
inchi:
InChI=1/2C28H44O3S.Zn/c2*1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h2*17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;;+2/p-2

smiles:
[Zn+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-]


name: 6a-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate
cas: 2802-11-1
dtxsid: DTXSID90950707
formula: C26H35FO7
inchikey: AUDPKCCPWYXNEV-UHFFFAOYSA-N
norman_susdat_id: NS00047971
pubchem_cid: NA
smiles: O=C(OCC(=O)C12OC(OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4C(O)CC31C)(C)C)C
inchi:
InChI=1/C26H35FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h8,15-16,18-19,21-22,30H,6-7,9-12H2,1-5H3


name: 3-ethoxy-17-hydroxy-6-(trifluoromethyl)pregna-3,5-diene-20-one acetate
cas: 2802-19-9
dtxsid: DTXSID50950708
formula: C26H35F3O4
inchikey: RFRZNGJBWJIQCF-DAHGFBLPSA-N
norman_susdat_id: NS00048717
pubchem_cid: 102334
smiles: O=C(OC1(C(=O)C)CCC2C3CC(=C4C=C(OCC)CCC4(C)C3CCC21C)C(F)(F)F)C
inchi:
InChI=1/C26H35F3O4/c1-6-32-17-7-10-23(4)19-8-11-24(5)20(9-12-25(24,15(2)30)33-16(3)31)18(19)14-22(21(23)13-17)26(27,28)29/h13,18-20H,6-12,14H2,1-5H3


name: 2-((2-Pyridinylmethyl)thio)-1H-benzimidazole-5-sulphonic acid
cas: 28020-71-5
chemspiderid: 106960
dtxsid: DTXSID50182300
formula: C13H11N3O3S2
inchikey: WMVRGOPCKSLXKV-UHFFFAOYSA-N
norman_susdat_id: NS00028407
pubchem_cid: 119791
smiles: OS(=O)(=O)c1cc2c(cc1)nc([nH]2)SCc1ncccc1
inchi:
InChI=1S/C13H11N3O3S2/c17-21(18,19)10-4-5-11-12(7-10)16-13(15-11)20-8-9-3-1-2-6-14-9/h1-7H,8H2,(H,15,16)(H,17,18,19)


name: Megalomicin A
cas: 28022-11-9
chebiid: CHEBI:29624
chemspiderid: 29548
formula: C44H80N2O15
inchikey: LRWRQTMTYVZKQW-WWDNQWNISA-N
norman_susdat_id: NS00011678
pubchem_cid: 31864
inchi:
InChI=1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1

smiles:
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O[C@H]4C[C@H]([C@H]([C@@H](O4)C)O)N(C)C)C)C)O)(C)O


cas: 28031-44-9
chemspiderid: 106968
dtxsid: DTXSID60182311
formula: C20H18Cl8O6
inchikey: JCAKQWYCRZDXTP-UHFFFAOYSA-N
norman_susdat_id: NS00028409
pubchem_cid: 119799
smiles: OCCOCCOc1c(Cl)c(Cl)c(c(Cl)c1Cl)c1c(Cl)c(Cl)c(OCCOCCO)c(Cl)c1Cl
name:
2,2'-((2,2',3,3',5,5',6,6'-Octachloro(1,1'-biphenyl)-4,4'-diyl)bis(oxyethane-2,1-diyloxy))bisethanol

inchi:
InChI=1S/C20H18Cl8O6/c21-11-9(12(22)16(26)19(15(11)25)33-7-5-31-3-1-29)10-13(23)17(27)20(18(28)14(10)24)34-8-6-32-4-2-30/h29-30H,1-8H2


name: 1-(4-Fluorophenyl)-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-ol
cas: 2804-05-9
chemspiderid: 2338342
dtxsid: DTXSID80950731
formula: C19H24F1N3O1
inchikey: LVXYAFNPMXCRJI-UHFFFAOYSA-N
norman_susdat_id: NS00000087
pubchem_cid: 3080589
smiles: Fc1ccc(cc1)C(O)CCCN3CCN(c2ncccc2)CC3
inchi:
InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2


name: N-isopropyl-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)allyl]piperazine-1-acetamide maleate
cas: 28044-40-8
dtxsid: DTXSID60950734
formula: C21H31N3O5
inchikey: WOSAGTMAYYLCTD-GVTSEVKNSA-N
norman_susdat_id: NS00049888
pubchem_cid: 6440259
smiles: O=C(O)C=CC(=O)O.O=C(C=CC=1C=C(OC)C(OC)=C(OC)C1)N2CCN(CC(=O)NC(C)C)CC2
inchi:
InChI=1/C21H31N3O5.C4H4O4/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4;5-3(6)1-2-4(7)8/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25);1-2H,(H,5,6)(H,7,8)


name: Heptachlor epoxide A
cas: 28044-83-9
chemspiderid: 23354330
dtxsid: DTXSID2058752
formula: C10H5Cl7O
inchikey: ZXFXBSWRVIQKOD-WOBUKFROSA-N
norman_susdat_id: NS00099458
pubchem_cid: 71317194
smiles: [H][C@]12[C@H]3O[C@H]3[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
inchi:
InChI=1/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/s2


name: Phenylacetylglutamine
cas: 28047-15-6
chebiid: CHEBI:17884
chemspiderid: 389603
dtxsid: DTXSID90182324
formula: C13H16N2O4
inchikey: JFLIEFSWGNOPJJ-JTQLQIEISA-N
norman_susdat_id: NS00014900
pubchem_cid: 92258
smiles: C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O
inchi:
InChI=1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1


name: Disodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]bis(benzenesulphonate)
cas: 28048-33-1
formula: C20H14N4O6S2.2Na
inchikey: DDIHLFCSEHAOJZ-UHFFFAOYSA-L
norman_susdat_id: NS00083878
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)c2nnc(nc2c3ccc(cc3)S(=O)(=O)[O-])c4ccccn4
inchi:
InChI=1/C20H14N4O6S2.2Na/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: DL-5-Methoxytryptophan
cas: 28052-84-8
chemspiderid: 83820
formula: C12H14N2O3
inchikey: KVNPSKDDJARYKK-UHFFFAOYSA-N
norman_susdat_id: NS00015561
pubchem_cid: NA
smiles: COC1=CC2=C(C=C1)NC=C2CC(C(=O)O)N
inchi:
InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)


name: Uridine(5')disodiodiphospho(1)-a-D-glucose
cas: 28053-08-9
dtxsid: DTXSID60182331
formula: C11H22O15P2
inchikey: ZZAHNEVHQYWAEU-UHFFFAOYSA-N
norman_susdat_id: NS00049889
pubchem_cid: NA
smiles: O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OC2OC(CO)C(O)C(O)C2O
inchi:
InChI=1/C11H22O15P2/c12-1-5-8(15)9(16)10(17)11(24-5)25-28(20,21)26-27(18,19)23-3-6-7(14)4(13)2-22-6/h4-17H,1-3H2,(H,18,19)(H,20,21)


name: Rediocide A
cas: 280565-85-7
chemspiderid: 8852121
formula: C44H58O13
inchikey: ZAVYYYQORHVVFN-HYQBVQLENA-N
norman_susdat_id: NS00067882
pubchem_cid: 137324404
inchi:
InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+


cas: 28058-62-0
dtxsid: DTXSID20950770
formula: C28H37ClN4O
inchikey: UUTRFZNTTSPNOY-UHFFFAOYSA-N
norman_susdat_id: NS00049288
pubchem_cid: 2793
smiles: Cl.Cl.O=C(N)C1(N2CCCCC2)CCN(CCCN3C=4C=CC=CC4CCC5=CC=C(Cl)C=C53)CC1
name:
1'-[3-(3-chloro-10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride

inchi:
InChI=1/C28H37ClN4O.2ClH/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32;;/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34);2*1H


name: Sodium perfluorodecanesulfonate
cas: 2806-15-7
dtxsid: DTXSID60892443
formula: C10F21NaO3S
inchikey: ULYIJZHWHDXAMG-UHFFFAOYSA-M
norman_susdat_id: NS00111005
smiles: [Na+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10HF21O3S.Na/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34;/h(H,32,33,34);/q;+1/p-1


name: Potassium henicosafluorodecanesulphonate
cas: 2806-16-8
formula: C10HF21O3S.K
inchikey: UWUCAMNHDQBYIL-UHFFFAOYSA-M
norman_susdat_id: NS00083265
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10HF21O3S.K/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34;/h(H,32,33,34);/q;+1/p-1


name: N-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)sulfonyl]glycine (FOSAA)
cas: 2806-24-8
chebiid: CHEBI:83505
chemspiderid: 8682412
dtxsid: DTXSID40440941
formula: C10H4F17N1O4S1
inchikey: AYLOUUCBACYHAB-UHFFFAOYSA-N
norman_susdat_id: NS00000426
pubchem_cid: 10507011
smiles: C(C(=O)O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)


name: Oleic acid, ester with hydroxypropanediyl diacetate
cas: 28060-90-4
formula: C25H44O6
inchikey: KXLSJQTXSAYFDL-UHFFFAOYSA-N
norman_susdat_id: NS00050595
pubchem_cid: 108335
smiles: O=C(OCC(OC(=O)C)COC(=O)CCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3


name: (chloromethyl)dodecylbenzene
cas: 28061-21-4
dtxsid: DTXSID90950782
formula: C19H31Cl
inchikey: MNSDXLJNALWHCG-UHFFFAOYSA-N
norman_susdat_id: NS00050596
pubchem_cid: NA
smiles: ClCC(C=1C=CC=CC1)CCCCCCCCCCC
inchi:
InChI=1/C19H31Cl/c1-2-3-4-5-6-7-8-9-11-16-19(17-20)18-14-12-10-13-15-18/h10,12-15,19H,2-9,11,16-17H2,1H3


name: GLYCERYL ERUCATE
cas: 28063-42-5
chebiid: CHEBI:171683
chemspiderid: 4942677
formula: C25H48O4
inchikey: TZDOBCZHGBGJLS-KTKRTIGZSA-N
norman_susdat_id: NS00013700
pubchem_cid: 6438186
smiles: CCCCCCCCC=C/CCCCCCCCCCCC(=O)OC(CO)CO
inchi:
InChI=1S/C25H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h9-10,24,26-27H,2-8,11-23H2,1H3/b10-9-


name: Nonylphenoxy-acetic acid (4-)
cas: 28065-23-8
chemspiderid: 15781044
dtxsid: DTXSID50622271
formula: C17H26O3
inchikey: PIWQVBDRRFMUIB-UHFFFAOYSA-N
norman_susdat_id: NS00100963
pubchem_cid: 22069708
smiles: CCCCCCCCCC(C(=O)O)Oc1ccccc1
inchi:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19)


name: Oleic acid, compound with (Z)-octadec-9-enylamine (1:1)
cas: 28065-97-6
formula: C18H37N.C18H34O2
inchikey: QAIHWMZHLIBAFX-QZOPMXJLSA-N
norman_susdat_id: NS00083880
smiles: CCCCCCCC\C=C/CCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C18H37N.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: 4-hydroxybutyl oleate
cas: 28068-33-9
formula: C22H42O3
inchikey: UKKNMCFZDIOGAW-KTKRTIGZSA-N
norman_susdat_id: NS00049951
pubchem_cid: 6432871
smiles: O=C(OCCCCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h9-10,23H,2-8,11-21H2,1H3


name: Ethylene bis[[R-[R*,R*]]-12-hydroxyoleate]
cas: 28069-85-4
formula: C38H70O6
inchikey: KLYDMCOWBZVWPA-UHFFFAOYSA-N
norman_susdat_id: NS00050660
pubchem_cid: 44135568
smiles: O=C(OCCOC(=O)CCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C38H70O6/c1-3-5-7-21-27-35(39)29-23-17-13-9-11-15-19-25-31-37(41)43-33-34-44-38(42)32-26-20-16-12-10-14-18-24-30-36(40)28-22-8-6-4-2/h17-18,23-24,35-36,39-40H,3-16,19-22,25-34H2,1-2H3


name: 2,2-bis(hydroxymethyl)-1,3-propanediyl bis[(R)-12-hydroxyoleate]
cas: 28070-58-8
formula: C41H76O8
inchikey: QSKPHLWYYSTCMY-HWDNKUKLSA-N
norman_susdat_id: NS00050661
pubchem_cid: 6438189
smiles: O=C(OCC(CO)(CO)COC(=O)CCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C41H76O8/c1-3-5-7-21-27-37(44)29-23-17-13-9-11-15-19-25-31-39(46)48-35-41(33-42,34-43)36-49-40(47)32-26-20-16-12-10-14-18-24-30-38(45)28-22-8-6-4-2/h17-18,23-24,37-38,42-45H,3-16,19-22,25-36H2,1-2H3


name: Tulathromycin B
cas: 280755-12-6
chemspiderid: 26001683
formula: C41H79N3O12
inchikey: JEBMHQVCOAWRCT-UHFFFAOYSA-N
norman_susdat_id: NS00040644
pubchem_cid: 71306896
smiles: CCCNCC1(O)C(C)OC(CC1(C)OC)OC1C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CNC(C)C(OC(=O)C1C)C(C)(O)C(O)CC
inchi:
InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)54-33-25(5)34(56-37-32(46)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)35(55-36(47)26(33)6)40(11,49)30(45)16-2/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3


name: Sodium 2-(octadecylamino)ethanesulphonate
cas: 28076-90-6
dtxsid: DTXSID20182352
formula: C20H43NO3S
inchikey: UTZSCZWGEMAATM-UHFFFAOYSA-M
norman_susdat_id: NS00049348
pubchem_cid: 3015399
smiles: [Na+].O=S(=O)([O-])CCNCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H43NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-25(22,23)24;/h21H,2-20H2,1H3,(H,22,23,24);/q;+1/p-1


name: Cannabinolic acid
cas: 2808-39-1
chemspiderid: 2339484
dtxsid: DTXSID60182356
formula: C22H26O4
inchikey: KXKOBIRSQLNUPS-UHFFFAOYSA-N
norman_susdat_id: NS00094745
pubchem_cid: 3081990
smiles: CCCCCC1=CC2=C(C(O)=C1C(O)=O)C1=C(C=CC(C)=C1)C(C)(C)O2
inchi:
InChI=1S/C22H26O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9-12,23H,5-8H2,1-4H3,(H,24,25)


name: 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitrile
cas: 28080-90-2
dtxsid: DTXSID90885409
formula: C19H17Cl2N5S
inchikey: QPFHNWRKKQLCMG-UHFFFAOYSA-N
norman_susdat_id: NS00050662
pubchem_cid: 119813
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=C(Cl)C(Cl)=CC3S2)C(=C1)C)CC
inchi:
InChI=1/C19H17Cl2N5S/c1-3-26(8-4-7-22)13-5-6-16(12(2)9-13)24-25-19-23-17-10-14(20)15(21)11-18(17)27-19/h5-6,9-11H,3-4,8H2,1-2H3


name: Nonyl stearate
cas: 28084-19-7
chemspiderid: 106978
dtxsid: DTXSID50182360
formula: C27H54O2
inchikey: YPVZSWAJJTUWSN-UHFFFAOYSA-N
norman_susdat_id: NS00028418
pubchem_cid: 119814
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC
inchi:
InChI=1S/C27H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27(28)29-26-24-22-20-10-8-6-4-2/h3-26H2,1-2H3


name: Phenylmercury salicylate
cas: 28086-13-7
formula: C13H10HgO3
inchikey: YQRBOMYQIMHOLM-UHFFFAOYSA-M
norman_susdat_id: NS00084135
smiles: Oc1ccccc1C(=O)[O-].[Hg+]c2ccccc2
inchi:
InChI=1/C7H6O3.C6H5.Hg/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);1-5H;/q;;+1/p-1/rC7H6O3.C6H5Hg/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H/q;+1/p-1


name: Hexanitrobiphenyldiamine
cas: 28088-73-5
formula: C12H12N8O12
inchikey: UKFLKXPAZWYTJP-UHFFFAOYSA-N
norman_susdat_id: NS00050425
pubchem_cid: 20274797
inchi:
InChI=1/C12H6N8O12/c13-7-3(1-5(15(21)22)9(17(25)26)11(7)19(29)30)4-2-6(16(23)24)10(18(27)28)12(8(4)14)20(31)32/h1-2H,13-14H2

smiles:
O=[N+]([O-])C1=CC(=C(N)C(=C1[N+](=O)[O-])[N+](=O)[O-])C=2C=C(C(=C(C2N)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: Cyclohexyl(cyclohexylphenyl)benzene
cas: 28088-75-7
chemspiderid: 2283550
dtxsid: DTXSID70182362
formula: C24H30
inchikey: NGOVHLJGWXFORJ-UHFFFAOYSA-N
norman_susdat_id: NS00028419
pubchem_cid: 3015402
smiles: C1CCC(CC1)c1c(cccc1)c1c(cccc1)C1CCCCC1
inchi:
InChI=1S/C24H30/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h7-10,15-20H,1-6,11-14H2


name: (3aS-cis)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione
cas: 28092-52-6
dtxsid: DTXSID90950828
formula: C19H18N2O2S
inchikey: XJZIDYQGGLZUIO-IRXDYDNUSA-N
norman_susdat_id: NS00050441
pubchem_cid: 119817
smiles: O=C1SCC2N(C(=O)N(CC=3C=CC=CC3)C12)CC=4C=CC=CC4
inchi:
InChI=1/C19H18N2O2S/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2


cas: 28092-53-7
formula: C23H28N2O3S
inchikey: AJYWROKDQMJIES-UHFFFAOYSA-N
norman_susdat_id: NS00049887
pubchem_cid: NA
smiles: O=C1N(CC=2C=CC=CC2)C3CSC(O)(CCCOC)C3N1CC=4C=CC=CC4
name:
[3aS-(3aa,4a,6aa)]-1,3-dibenzyltetrahydro-4-hydroxy-4-(3-methoxypropyl)-1H-thieno[3,4-d]imidazol-2(3H)-one

inchi:
InChI=1/C23H28N2O3S/c1-28-14-8-13-23(27)21-20(17-29-23)24(15-18-9-4-2-5-10-18)22(26)25(21)16-19-11-6-3-7-12-19/h2-7,9-12,20-21,27H,8,13-17H2,1H3


name: (3aS-cis)-1,3-dibenzyltetrahydro-4-(3-methoxypropylidene)-1H-thieno[3,4-d]imidazol-2(3H)-one
cas: 28092-54-8
formula: C23H26N2O2S
inchikey: OTOVKAPQUJOUHD-ZQOFNOHESA-N
norman_susdat_id: NS00050426
pubchem_cid: 6438190
smiles: O=C1N(CC=2C=CC=CC2)C3C(SCC3N1CC=4C=CC=CC4)=CCCOC
inchi:
InChI=1/C23H26N2O2S/c1-27-14-8-13-21-22-20(17-28-21)24(15-18-9-4-2-5-10-18)23(26)25(22)16-19-11-6-3-7-12-19/h2-7,9-13,20,22H,8,14-17H2,1H3


name: (3AS,6aR)-1,3-dibenzyltetrahydro-1H-furo(3,4-d)imidazole-2,4-dione
cas: 28092-62-8
chemspiderid: 106982
dtxsid: DTXSID00182370
formula: C19H18N2O3
inchikey: FGFSEMWCZBVRHG-IRXDYDNUSA-N
norman_susdat_id: NS00028420
pubchem_cid: 119819
smiles: O=C1OC[C@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1
inchi:
InChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1


name: Diisopropylammonium 2-(p-chlorophenoxy)-2-methylpropionate
cas: 28100-38-1
formula: C10H11ClO3.C6H15N
inchikey: MRWZVKCAGYCHFS-UHFFFAOYSA-N
norman_susdat_id: NS00084606
smiles: CC(C)[NH2+]C(C)C.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-]
inchi:
InChI=1/C10H11ClO3.C6H15N/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-5(2)7-6(3)4/h3-6H,1-2H3,(H,12,13);5-7H,1-4H3


name: (2-hydroxyethyl)dimethylammonium 2-(4-chlorophenoxy)-2-methylpropionate
cas: 28100-39-2
formula: C10H11ClO3.C4H11NO
inchikey: HVZZHPNMKVVHID-UHFFFAOYSA-N
norman_susdat_id: NS00084146
smiles: C[NH+](C)CCO.CC(C)(Oc1ccc(Cl)cc1)C(=O)[O-]
inchi:
InChI=1/C10H11ClO3.C4H11NO/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;1-5(2)3-4-6/h3-6H,1-2H3,(H,12,13);6H,3-4H2,1-2H3


name: Phosphoric acid, (1-methylethyl)phenyl diphenyl ester
cas: 28108-99-8
chemspiderid: 31472
formula: C21H21O4P1
inchikey: JJXNVYMIYBNZQX-UHFFFAOYSA-N
norman_susdat_id: NS00010766
pubchem_cid: 34148
smiles: C1=CC=CC(=C1O[P](=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C(C)C
inchi:
InChI=1S/C21H21O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19/h3-17H,1-2H3


name: phenyl bis[3-(propan-2-yl)phenyl] phosphate
cas: 28109-00-4
chemspiderid: 32701297
formula: C24H27O4P1
inchikey: SQLHDIHSVZELNE-UHFFFAOYSA-N
norman_susdat_id: NS00002051
pubchem_cid: 13767289
smiles: CC(C)c1cccc(OP(=O)(Oc2ccccc2)Oc2cccc(c2)C(C)C)c1
inchi:
InChI=1S/C24H27O4P/c1-18(2)20-10-8-14-23(16-20)27-29(25,26-22-12-6-5-7-13-22)28-24-15-9-11-21(17-24)19(3)4/h5-19H,1-4H3


cas: 28118-10-7
formula: C27H32Cl4N4O3S
inchikey: GCXJCRWEIOFYJT-UHFFFAOYSA-N
norman_susdat_id: NS00050443
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C2=CC(Cl)=C(Cl)C=C2[NH+](CC)C1C=CC=C3N(C4=CC(Cl)=C(Cl)C=C4N3CC)CC
name:
5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium

inchi:
InChI=1/C27H32Cl4N4O3S/c1-5-32-22-13-18(28)19(29)14-23(22)33(6-2)26(32)9-8-10-27-34(7-3)24-15-20(30)21(31)16-25(24)35(27)12-11-17(4)39(36,37)38/h8-10,13-17,27H,5-7,11-12H2,1-4H3,(H,36,37,38)


cas: 28118-15-2
dtxsid: DTXSID00885410
formula: C35H33N2O2
inchikey: BUTFUHVAKJPHHB-UHFFFAOYSA-M
norman_susdat_id: NS00050429
pubchem_cid: NA
smiles: [Br-].O1C=2C=CC(=CC2N(C1=CC(=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)CC)CC)C=6C=CC=CC6
name:
3-ethyl-2-[2-[(3-ethyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenylbenzoxazolium bromide

inchi:
InChI=1/C35H33N2O2.BrH/c1-4-25(21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-13-9-7-10-14-26)22-35-37(6-3)31-24-29(18-20-33(31)39-35)27-15-11-8-12-16-27;/h7-24H,4-6H2,1-3H3;1H/q+1;/p-1


name: Ethyl 6-(nonafluorobutyl)-4-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cas: 281189-83-1
dtxsid: DTXSID20896280
formula: C17H13F9N2O2S
inchikey: DPPZXQLFUUGHRN-UHFFFAOYSA-N
norman_susdat_id: NS00109750
smiles: CCOC(=O)C1=C(NC(=S)NC1c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C17H13F9N2O2S/c1-2-30-12(29)9-10(8-6-4-3-5-7-8)27-13(31)28-11(9)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,10H,2H2,1H3,(H2,27,28,31)


name: 2,3-dihydro-5-methoxy-7,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one
cas: 2812-09-1
dtxsid: DTXSID80950857
formula: C18H18O3
inchikey: HZLLFRKBXPNHCV-UHFFFAOYSA-N
norman_susdat_id: NS00048718
pubchem_cid: 102883
smiles: O=C1C2=C(OC)C=C(C(=C2OC(C=3C=CC=CC3)C1)C)C
inchi:
InChI=1/C18H18O3/c1-11-9-16(20-3)17-14(19)10-15(21-18(17)12(11)2)13-7-5-4-6-8-13/h4-9,15H,10H2,1-3H3


name: 4,5-dihydro-2-[[2-isopropyl-5-methylphenoxy]methyl]-1H-imidazole monohydrochloride
cas: 28120-03-8
formula: C14H20N2O
inchikey: DKIDQLUKAZZLAR-UHFFFAOYSA-N
norman_susdat_id: NS00049910
pubchem_cid: 34154
smiles: Cl.N1=C(NCC1)COC2=CC(=CC=C2C(C)C)C
inchi:
InChI=1/C14H20N2O.ClH/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14;/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16);1H


name: 1,1'-(octadecylimino)dipropan-2-ol
cas: 28137-64-6
dtxsid: DTXSID20885412
formula: C24H51NO2
inchikey: WPNICNOCPSBYTR-UHFFFAOYSA-N
norman_susdat_id: NS00049911
pubchem_cid: 119875
smiles: OC(C)CN(CCCCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C24H51NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h23-24,26-27H,4-22H2,1-3H3


name: Trisodium nitrilotrimethanesulphonate
cas: 28138-78-5
dtxsid: DTXSID00950874
formula: C3H9NO9S3
inchikey: ZMHARKSPNAFQAE-UHFFFAOYSA-K
norman_susdat_id: NS00050430
pubchem_cid: 57376607
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])CN(CS(=O)(=O)[O-])CS(=O)(=O)[O-]
inchi:
InChI=1/C3H9NO9S3.3Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H,5,6,7)(H,8,9,10)(H,11,12,13);;;/q;3*+1/p-3


name: 1-((4-Methylphenyl)amino)-4-(phenylamino)anthraquinone
cas: 28141-00-6
chemspiderid: 107034
dtxsid: DTXSID20182413
formula: C27H20N2O2
inchikey: WQNMFEKGZGXWQO-UHFFFAOYSA-N
norman_susdat_id: NS00021984
pubchem_cid: 119878
smiles: Cc1ccc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3ccccc3)cc2)cc1
inchi:
InChI=1S/C27H20N2O2/c1-17-11-13-19(14-12-17)29-23-16-15-22(28-18-7-3-2-4-8-18)24-25(23)27(31)21-10-6-5-9-20(21)26(24)30/h2-16,28-29H,1H3


name: (3a,14ß,16a)-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylic acid
cas: 28152-73-0
dtxsid: DTXSID00950899
formula: C20H24N2O3
inchikey: UXMCFEBDJVHVNH-HOJAQTOUSA-N
norman_susdat_id: NS00050473
pubchem_cid: 168765
smiles: O=C(O)C1(O)N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(CC)C1
inchi:
InChI=1/C20H24N2O3/c1-2-19-9-5-10-21-11-8-14-13-6-3-4-7-15(13)22(16(14)17(19)21)20(25,12-19)18(23)24/h3-4,6-7,17,25H,2,5,8-12H2,1H3,(H,23,24)


name: Cybutryne
cas: 28159-98-0
chebiid: CHEBI:5962
chemspiderid: 82701
dtxsid: DTXSID3032416
formula: C11H19N5S1
inchikey: HDHLIWCXDDZUFH-UHFFFAOYSA-N
norman_susdat_id: NS00000272
pubchem_cid: 91590
smiles: c1(nc(NC(C)(C)C)nc(n1)SC)NC1CC1
eea_notation: CAS_28159-98-0
inchi:
InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)


cas: 28161-39-9
formula: C20H28O2.Na
inchikey: ZCSNFGCDVJGPDD-UHFFFAOYSA-M
norman_susdat_id: NS00084174
smiles: CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(=O)O[Na])c1
name:
Sodium [1R-(1a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

inchi:
InChI=1/C20H28O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22);/q;+1/p-1


name: 1-tert-butylamino-3-(o-cyclopentylphenoxy)propan-2-ol hydrochloride
cas: 28163-36-2
formula: C18H29NO2.ClH
inchikey: ITZWQFLTSRCDPC-UHFFFAOYSA-N
norman_susdat_id: NS00084175
smiles: Cl.CC(C)(C)NCC(O)COc1ccccc1C2CCCC2
inchi:
InChI=1/C18H29NO2.ClH/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;1H


name: Daphnetoxin
cas: 28164-88-7
chebiid: CHEBI:4321
chemspiderid: 119454
formula: C27H30O8
inchikey: LGEROVMQYFTBDI-FFIGBMOQSA-N
norman_susdat_id: NS00093852
pubchem_cid: 106685
smiles:
C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)O[C@](O3)(O2)C7=CC=CC=C7)C(=C)C


name: N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-alanine
cas: 2817-13-2
dtxsid: DTXSID20950917
formula: C17H24N2O5
inchikey: CWMXJBNCYBDNTJ-JSGCOSHPSA-N
norman_susdat_id: NS00048677
pubchem_cid: 6992475
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)C)CC(C)C
inchi:
InChI=1/C17H24N2O5/c1-11(2)9-14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)


cas: 28172-08-9
formula: C21H20N4O4
inchikey: UKUWHJSLMKBVGB-UHFFFAOYSA-N
norman_susdat_id: NS00049956
pubchem_cid: 119884
smiles: N#CC=1C(=O)N(C(=O)C(=CC=CC2=C(O)N(C(=O)C(C#N)=C2C)CC)C1C)CC
name:
5-[3-(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1-ethyl-1,2,5,6-tetrahydro-4-methylnicotinonitrile

inchi:
InChI=1/C21H20N4O4/c1-5-24-18(26)14(12(3)16(10-22)20(24)28)8-7-9-15-13(4)17(11-23)21(29)25(6-2)19(15)27/h7-9,26H,5-6H2,1-4H3


name: Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester
cas: 28173-59-3
chemspiderid: 107041
dtxsid: DTXSID8067361
formula: C23H17N1O7
inchikey: GLLYQJVICPAIGW-UHFFFAOYSA-N
norman_susdat_id: NS00008163
pubchem_cid: 119885
smiles: Nc1c(OCCOC(=O)Oc2ccccc2)cc(O)c2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C23H17NO7/c24-20-17(29-10-11-30-23(28)31-13-6-2-1-3-7-13)12-16(25)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h1-9,12,25H,10-11,24H2


name: Ioxitalamic acid
cas: 28179-44-4
chebiid: CHEBI:83517
chemspiderid: 31782
dtxsid: DTXSID60182457
formula: C12H11I3N2O5
inchikey: OLAOYPRJVHUHCF-UHFFFAOYSA-N
norman_susdat_id: NS00000290
pubchem_cid: 34536
smiles: CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(C(=O)NCCO)=C1I
inchi:
InChI=1S/C12H11I3N2O5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22)


name: Octadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
cas: 28188-24-1
chemspiderid: 13512015
dtxsid: DTXSID0027939
formula: C59H114O7
inchikey: FWCDLNRNBHJDQB-UHFFFAOYSA-N
norman_susdat_id: NS00019890
pubchem_cid: 14252002
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C59H114O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h60H,4-55H2,1-3H3


name: N-[3-acetyl-4-(oxiranylmethoxy)phenyl]butyramide
cas: 28197-66-2
formula: C15H19NO4
inchikey: MFGKLROXINRXIU-UHFFFAOYSA-N
norman_susdat_id: NS00051259
pubchem_cid: 119888
smiles: O=C(NC1=CC=C(OCC2OC2)C(=C1)C(=O)C)CCC
inchi:
InChI=1/C15H19NO4/c1-3-4-15(18)16-11-5-6-14(13(7-11)10(2)17)20-9-12-8-19-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)


name: Diacetolol
cas: 28197-69-5
chemspiderid: 46139
formula: C16H24N2O4
inchikey: AWOGXJOBNAWQSF-UHFFFAOYSA-N
norman_susdat_id: NS00001306
pubchem_cid: 50894
smiles: CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
inchi:
InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)


name: 1,4-Bis(2-bromo-4-butyl-o-toluidino)anthraquinone
cas: 28198-04-1
chemspiderid: 107045
dtxsid: DTXSID70182463
formula: C36H36Br2N2O2
inchikey: LKKDBUMXNDIRMM-UHFFFAOYSA-N
norman_susdat_id: NS00028437
pubchem_cid: 119889
smiles: CCCCc1cc(Br)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3c(Br)cc(CCCC)cc3C)cc2)c(C)c1
inchi:
InChI=1S/C36H36Br2N2O2/c1-5-7-11-23-17-21(3)33(27(37)19-23)39-29-15-16-30(40-34-22(4)18-24(12-8-6-2)20-28(34)38)32-31(29)35(41)25-13-9-10-14-26(25)36(32)42/h9-10,13-20,39-40H,5-8,11-12H2,1-4H3


name: Lithium dinonylnaphthalenesulphonate
cas: 28214-91-7
formula: C28H44O3S.Li
inchikey: WTHCDEDKJUFXJG-UHFFFAOYSA-M
norman_susdat_id: NS00084185
smiles: [Li+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C28H44O3S.Li/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2;/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31);/q;+1/p-1


name: N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-arginine
cas: 28217-22-3
dtxsid: DTXSID50950945
formula: C18H25N5O4S
inchikey: HRBPBWKDJGGGCX-AWEZNQCLSA-N
norman_susdat_id: NS00050495
pubchem_cid: NA
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CCCNC(=N)N
inchi:
InChI=1/C18H25N5O4S/c1-23(2)15-9-3-7-13-12(15)6-4-10-16(13)28(26,27)22-14(17(24)25)8-5-11-21-18(19)20/h3-4,6-7,9-10,14,22H,5,8,11H2,1-2H3,(H,24,25)(H4,19,20,21)


name: Flumethasone acetate
cas: 2823-42-9
chemspiderid: 9330306
dtxsid: DTXSID50182481
formula: C24H30F2O6
inchikey: ISSQQUKLQJHHOR-OSNGSNEUSA-N
norman_susdat_id: NS00010475
pubchem_cid: 11155198
inchi:
InChI=1S/C24H30F2O6/c1-12-7-15-16-9-18(25)17-8-14(28)5-6-21(17,3)23(16,26)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1

smiles:
O=C(OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(C(=C/C(=O)C=C1)[C@@H](F)C[C@H]4[C@@H]2C[C@H]3C)C)C)C


name: Parfumine
cas: 28230-70-8
chebiid: CHEBI:68994
chemspiderid: 161371
dtxsid: DTXSID70182488
formula: C20H19NO5
inchikey: AHNUBWYOIHCGFN-FQEVSTJZSA-N
norman_susdat_id: NS00094772
pubchem_cid: 185623
smiles: COC1=C(O)C=C2C(CCN(C)[C@@]22CC3=C(C2=O)C2=C(OCO2)C=C3)=C1
inchi:
InChI=1S/C20H19NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,22H,5-6,9-10H2,1-2H3/t20-/m0/s1


name: 5-cyclopent-2-en-1-yl-1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
cas: 28239-48-7
chemspiderid: 533231
dtxsid: DTXSID10346582
formula: C14H18N2O3
inchikey: RCGYTZIVXOJJRI-UHFFFAOYSA-N
norman_susdat_id: NS00113949
pubchem_cid: 613439
smiles: CN1C(=O)N(C)C(=O)C(CC=C)(C2CCC=C2)C1=O
inchi:
InChI=1S/C14H18N2O3/c1-4-9-14(10-7-5-6-8-10)11(17)15(2)13(19)16(3)12(14)18/h4-5,7,10H,1,6,8-9H2,2-3H3


name: Mycolutein
cas: 2825-00-5
chemspiderid: 4747371
formula: C22H23N1O6
inchikey: GQKXCBCSVYJUMI-RCGCBBHSSA-N
norman_susdat_id: NS00011768
pubchem_cid: 5917954
smiles: Cc1c(=O)c(c(oc1C2C/C(=C/C(=C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2)OC)C
inchi:
InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-


name: Formocortal
cas: 2825-60-7
chebiid: CHEBI:135834
dtxsid: DTXSID00895059
formula: C29H38ClFO8
inchikey: QNXUUBBKHBYRFW-QWAPGEGQSA-N
norman_susdat_id: NS00049381
pubchem_cid: 289085
smiles: O=CC1=C2C=C(OCCCl)CCC2(C)C3(F)C(O)CC4(C)C(CC5OC(OC54C(=O)COC(=O)C)(C)C)C3C1
inchi:
InChI=1/C29H38ClFO8/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,14,20-22,24,34H,6-10,12-13,15H2,1-5H3


name: 1-Amino-4-((3-chlorophenyl)amino)-2-(ethylsulphonyl)anthraquinone
cas: 28252-15-5
chemspiderid: 107058
dtxsid: DTXSID30182505
formula: C22H17Cl1N2O4S1
inchikey: YXIFYSPDGDPJEM-UHFFFAOYSA-N
norman_susdat_id: NS00028441
pubchem_cid: 119905
smiles: CCS(=O)(=O)c1cc(Nc2cc(Cl)ccc2)c2C(=O)c3c(cccc3)C(=O)c2c1N
inchi:
InChI=1S/C22H17ClN2O4S/c1-2-30(28,29)17-11-16(25-13-7-5-6-12(23)10-13)18-19(20(17)24)22(27)15-9-4-3-8-14(15)21(18)26/h3-11,25H,2,24H2,1H3


name: N-[bis(4-methoxyphenyl)methyl]-N2-[(phenylmethoxy)carbonyl]-L-glutamine
cas: 28252-49-5
dtxsid: DTXSID20950972
formula: C28H30N2O7
inchikey: NXGRPCWLXRUYOF-DEOSSOPVSA-N
norman_susdat_id: NS00048981
pubchem_cid: 119906
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCC(=O)NC(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3
inchi:
InChI=1/C28H30N2O7/c1-35-22-12-8-20(9-13-22)26(21-10-14-23(36-2)15-11-21)30-25(31)17-16-24(27(32)33)29-28(34)37-18-19-6-4-3-5-7-19/h3-15,24,26H,16-18H2,1-2H3,(H,29,34)(H,30,31)(H,32,33)


name: Cetilistat
cas: 282526-98-1
chebiid: CHEBI:134721
dtxsid: DTXSID90182506
formula: C25H39NO3
inchikey: MVCQKIKWYUURMU-UHFFFAOYSA-N
norman_susdat_id: NS00071047
pubchem_cid: 9952916
smiles: CCCCCCCCCCCCCCCCOc1nc2ccc(C)cc2c(=O)o1
inchi:
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-25-26-23-18-17-21(2)20-22(23)24(27)29-25/h17-18,20H,3-16,19H2,1-2H3


name: Bis(octylphenyl) hydrogen phosphate
cas: 28258-94-8
dtxsid: DTXSID40950974
formula: C28H43O4P
inchikey: MHPZOLWFFCQILC-UHFFFAOYSA-N
norman_susdat_id: NS00049552
pubchem_cid: 13652419
smiles: O=P(O)(OC=1C=CC=CC1CCCCCCCC)OC=2C=CC=CC2CCCCCCCC
inchi:
InChI=1/C28H43O4P/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)31-33(29,30)32-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2/h15-18,21-24H,3-14,19-20H2,1-2H3,(H,29,30)


cas: 28262-63-7
norman_susdat_id: NS00113057
name:
2-Propenoic acid, 2-methyl-, polymer with butyl 2-methyl-2-propenoate and methyl 2-methyl-2-propenoate


name: 2-(4-chlorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynyloxy-phenyl)-ethyl]-acetamide
cas: 282720-26-7
chemspiderid: 9649086
formula: C20H20Cl1N1O4
inchikey: CRJKRYZJRZIPJS-LJQANCHMSA-N
norman_susdat_id: NS00014265
pubchem_cid: 76971626
smiles: COc1cc(CCNC(=O)C(O)c2ccc(Cl)cc2)ccc1OCC#C
inchi:
InChI=1S/C20H20ClNO4/c1-3-12-26-17-9-4-14(13-18(17)25-2)10-11-22-20(24)19(23)15-5-7-16(21)8-6-15/h1,4-9,13,19,23H,10-12H2,2H3,(H,22,24)


cas: 28279-27-8
chemspiderid: 4942689
dtxsid: DTXSID2067371
formula: C39H38N4O5S2
inchikey: RHJUONUPJMTLGP-UHFFFAOYSA-N
norman_susdat_id: NS00028448
pubchem_cid: 119912
smiles: CCn1/c(=CC(=C2C(=O)N(CCOC)C(=O)N(CCOC)C2=O)/C=c/2sc3ccc4ccccc4c3n2CC)/sc2ccc3ccccc3c12
name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-[(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)methyl]ethylidene]-1,3-bis(2-methoxyethyl)-

inchi:
InChI=1S/C39H38N4O5S2/c1-5-40-32(49-30-17-15-25-11-7-9-13-28(25)35(30)40)23-27(34-37(44)42(19-21-47-3)39(46)43(38(34)45)20-22-48-4)24-33-41(6-2)36-29-14-10-8-12-26(29)16-18-31(36)50-33/h7-18,23-24H,5-6,19-22H2,1-4H3/b32-23-,33-24+


cas: 28279-36-9
dtxsid: DTXSID50865424
formula: C43H47Cl3N6O5
inchikey: KUFVAOJHHNKJCQ-UHFFFAOYSA-N
norman_susdat_id: NS00048982
pubchem_cid: NA
name:
4-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-5-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide

inchi:
InChI=1/C43H47Cl3N6O5/c1-8-19-42(3,4)27-13-18-35(32(22-27)43(5,6)20-9-2)57-25-36(53)47-30-12-10-11-26(21-30)40(54)48-39-37(50-49-29-14-16-31(56-7)17-15-29)41(55)52(51-39)38-33(45)23-28(44)24-34(38)46/h10-18,21-24,37H,8-9,19-20,25H2,1-7H3,(H,47,53)(H,48,51,54)

smiles:
O=C(NC1=NN(C(=O)C1N=NC2=CC=C(OC)C=C2)C=3C(Cl)=CC(Cl)=CC3Cl)C=4C=CC=C(C4)NC(=O)COC5=CC=C(C=C5C(C)(C)CCC)C(C)(C)CCC


name: Bis(3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluoro-1-oxohexyl)peroxide
cas: 28285-49-6
chemspiderid: NA
dtxsid: DTXSID20881318
formula: C12Cl6F16O4
inchikey: XIEKHWZMGUGSHG-UHFFFAOYSA-N
norman_susdat_id: NS00018890
pubchem_cid: 21315349
smiles: FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(=O)OOC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
inchi:
InChI=1S/C12Cl6F16O4/c13-5(23,9(27,28)7(15,25)11(17,31)32)3(19,20)1(35)37-38-2(36)4(21,22)6(14,24)10(29,30)8(16,26)12(18,33)34


name: Rolicyprine
cas: 2829-19-8
chemspiderid: 29786972
dtxsid: DTXSID7046259
formula: C14H16N2O2
inchikey: UGSLDMJXBQKDCT-WOPDTQHZSA-N
norman_susdat_id: NS00114104
pubchem_cid: 60196287
smiles: O=C(N[C@H]1C[C@@H]1C1=CC=CC=C1)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C14H16N2O2/c17-13-7-6-11(15-13)14(18)16-12-8-10(12)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,17)(H,16,18)/t10-,11+,12+/m1/s1


name: Disodium 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxybenzoate]
cas: 2829-42-7
formula: C27H20N6O7.2Na
inchikey: FCCOTXHFDDRSDO-UHFFFAOYSA-L
norman_susdat_id: NS00083632
smiles: [Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc4ccc(NC(=O)Nc3ccc(N=Nc2cc(C([O-])=O)c(O)cc2)cc3)cc4
inchi:
InChI=1/C27H20N6O7.2Na/c34-23-11-9-19(13-21(23)25(36)37)32-30-17-5-1-15(2-6-17)28-27(40)29-16-3-7-18(8-4-16)31-33-20-10-12-24(35)22(14-20)26(38)39;;/h1-14,34-35H,(H,36,37)(H,38,39)(H2,28,29,40);;/q;2*+1/p-2


cas: 2829-43-8
dtxsid: DTXSID70889460
formula: C33H26N8O15S4
inchikey: ZXRQHEAKVNYRIS-UHFFFAOYSA-J
norman_susdat_id: NS00049382
pubchem_cid: NA
name:
Tetrasodium 5,5'-[carbonylbis[imino(2-sulphonato-4,1-phenylene)azo]]bis(6-amino-4-hydroxynaphthalene-2-sulphonate)

inchi:
InChI=1/C33H26N8O15S4.4Na/c34-21-5-1-15-9-19(57(45,46)47)13-25(42)29(15)31(21)40-38-23-7-3-17(11-27(23)59(51,52)53)36-33(44)37-18-4-8-24(28(12-18)60(54,55)56)39-41-32-22(35)6-2-16-10-20(58(48,49)50)14-26(43)30(16)32;;;;/h1-14,42-43H,34-35H2,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])NC4=CC=C(N=NC5=C(N)C=CC6=CC(=CC(O)=C65)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-]


name: 2,5-Bis[m-chloroanilino]terephthalic acid
cas: 28294-55-5
chemspiderid: 60490
dtxsid: DTXSID7067374
formula: C20H14Cl2N2O4
inchikey: JCHNWGHDRJBSRH-UHFFFAOYSA-N
norman_susdat_id: NS00028453
pubchem_cid: 119916
smiles: OC(=O)c1cc(Nc2cccc(Cl)c2)c(cc1Nc1cccc(Cl)c1)C(=O)O
inchi:
InChI=1S/C20H14Cl2N2O4/c21-11-3-1-5-13(7-11)23-17-9-16(20(27)28)18(10-15(17)19(25)26)24-14-6-2-4-12(22)8-14/h1-10,23-24H,(H,25,26)(H,27,28)


name: Benzoic acid, 5-hexadecyl-2-hydroxy-
cas: 28294-58-8
chemspiderid: 99137
dtxsid: DTXSID2067375
formula: C23H38O3
inchikey: VCLDAIPENLEIRV-UHFFFAOYSA-N
norman_susdat_id: NS00028454
pubchem_cid: 110437
smiles: CCCCCCCCCCCCCCCCc1cc(C(=O)O)c(O)cc1
inchi:
InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-22(24)21(19-20)23(25)26/h17-19,24H,2-16H2,1H3,(H,25,26)


name: (Z)-1-[4-(4-chlorophenyl)-3-phenylbut-2-enyl]pyrrolidinium bromide
cas: 28296-64-2
formula: C20H22ClN.BrH
inchikey: CHTNIZRRBLLLRO-JHMJKTBASA-N
norman_susdat_id: NS00084063
smiles: [Br-].Clc1ccc(C\C(=C\C[NH+]2CCCC2)\c3ccccc3)cc1
inchi:
InChI=1/C20H22ClN.BrH/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;/h1-3,6-12H,4-5,13-16H2;1H


name: Octadecenylsuccinic acid
cas: 28299-29-8
formula: C22H40O4
inchikey: GYTGJCPXNGAJFT-UHFFFAOYSA-N
norman_susdat_id: NS00049565
pubchem_cid: 257725
smiles: O=C(O)CC(C=CCCCCCCCCCCCCCCCC)C(=O)O
inchi:
InChI=1/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h17-18,20H,2-16,19H2,1H3,(H,23,24)(H,25,26)


name: N,N,N',N',N'',N''-hexaallyl-1,3,5-triazine-2,4,6-triamine
cas: 2830-12-8
dtxsid: DTXSID60182553
formula: C21H30N6
inchikey: MCGWUHXQWMFRNN-UHFFFAOYSA-N
norman_susdat_id: NS00049383
pubchem_cid: 76069
smiles: N=1C(=NC(=NC1N(CC=C)CC=C)N(CC=C)CC=C)N(CC=C)CC=C
inchi:
InChI=1/C21H30N6/c1-7-13-25(14-8-2)19-22-20(26(15-9-3)16-10-4)24-21(23-19)27(17-11-5)18-12-6/h7-12H,1-6,13-18H2


name: Methylcyclohexyl 3-octyloxiran-2-octanoate
cas: 28300-45-0
dtxsid: DTXSID20950997
formula: C25H46O3
inchikey: LPFZLFOAAJJMIJ-UHFFFAOYSA-N
norman_susdat_id: NS00048985
pubchem_cid: 57376618
smiles: O=C(OC1(C)CCCCC1)CCCCCCCC2OC2CCCCCCCC
inchi:
InChI=1/C25H46O3/c1-3-4-5-6-8-12-17-22-23(27-22)18-13-9-7-10-14-19-24(26)28-25(2)20-15-11-16-21-25/h22-23H,3-21H2,1-2H3


name: 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyridin-2-one
cas: 28307-19-9
dtxsid: DTXSID40950999
formula: C10H14N2O5
inchikey: OGADSZTVCUXSOK-PEBGCTIMSA-N
norman_susdat_id: NS00070172
pubchem_cid: 97577
smiles: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1
inchi:
InChI=1S/C10H14N2O5/c11-5-1-2-12(7(14)3-5)10-9(16)8(15)6(4-13)17-10/h1-3,6,8-10,13,15-16H,4,11H2/t6-,8-,9-,10-/m1/s1


cas: 28313-51-1
dtxsid: DTXSID20885417
formula: C22H29N6S
inchikey: ABTAMTTWNRHXGT-UHFFFAOYSA-M
norman_susdat_id: NS00050278
pubchem_cid: 161599
smiles: O=S(=O)([O-])OC.N(=NC1=CC=C(C=C1C)N(CC)CC[N+](C)(C)C)C2=NC(=NS2)C=3C=CC=CC3
name:
[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C22H29N6S.CH4O4S/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5-6(2,3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: Valifenalate
cas: 283159-90-0
chebiid: CHEBI:83613
chemspiderid: 13114307
dtxsid: DTXSID6058051
formula: C19H27Cl1N2O5
inchikey: DBXFMOWZRXXBRN-UHFFFAOYSA-N
norman_susdat_id: NS00003769
pubchem_cid: 15982923
smiles: COC(=O)CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)


cas: 28316-43-0
dtxsid: DTXSID20951005
formula: C23H23N3O14S3
inchikey: AWLFRWQWZLKXRL-UHFFFAOYSA-K
norman_susdat_id: NS00049567
pubchem_cid: NA
name:
Trisodium N-[5-hydroxy-6-[[5-[[2-(sulphonatooxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-7-sulphonato-2-naphthyl]succinamate

inchi:
InChI=1/C23H23N3O14S3.3Na/c1-39-18-5-3-15(41(31,32)9-8-40-43(36,37)38)12-17(18)25-26-22-19(42(33,34)35)11-13-10-14(2-4-16(13)23(22)30)24-20(27)6-7-21(28)29;;;/h2-5,10-12,30H,6-9H2,1H3,(H,24,27)(H,28,29)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])CCC(=O)NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC(=CC=C3OC)S(=O)(=O)CCOS(=O)(=O)[O-])C2O)S(=O)(=O)[O-]


cas: 283164-62-5
dtxsid: DTXSID40883011
norman_susdat_id: NS00110320
name:
Acetic acid ethenyl ester, polymer with ethene, 3,3,4,4,5,5,6,6,6-nonafluoro-1-hexene and 1,1,2,2-tetrafluoroethene


name: Rucaparib
cas: 283173-50-2
chebiid: CHEBI:134689
dtxsid: DTXSID10182563
formula: C19H18FN3O
inchikey: HMABYWSNWIZPAG-UHFFFAOYSA-N
norman_susdat_id: NS00068175
pubchem_cid: 9931954
smiles: CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
inchi:
InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24)


name: Choline glycerophosphate
cas: 28319-77-9
formula: C8H20NO6P
inchikey: ZUXLRNSUFXEQOD-UHFFFAOYSA-L
norman_susdat_id: NS00084065
smiles: C[N+](C)(C)CCO.C[N+](C)(C)CCO.OCC(O)COP(=O)([O-])[O-]
inchi:
InChI=1/2C5H14NO.C3H9O6P/c2*1-6(2,3)4-5-7;4-1-3(5)2-9-10(6,7)8/h2*7H,4-5H2,1-3H3;3-5H,1-2H2,(H2,6,7,8)/q2*+1;/p-2


name: C.I. Disperse Yellow 3
cas: 2832-40-8
chebiid: CHEBI:53617
chemspiderid: 21159722
dtxsid: DTXSID6021450
formula: C15H15N3O2
inchikey: PXOZAFXVEWKXED-ISLYRVAYSA-N
norman_susdat_id: NS00020069
pubchem_cid: NA
smiles: CC(=O)Nc1ccc(N/N=C/2C=C(C)C=CC2=O)cc1
inchi:
InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,17H,1-2H3,(H,16,19)/b18-14+


name: Sodium hexane-1-sulphonate, monohydrate
cas: 2832-45-3
dtxsid: DTXSID3062657
formula: C6H14O3S.Na
inchikey: QWSZRRAAFHGKCH-UHFFFAOYSA-M
norman_susdat_id: NS00083272
smiles: CCCCCCS(=O)(=O)O[Na]
inchi:
InChI=1/C6H14O3S.Na/c1-2-3-4-5-6-10(7,8)9;/h2-6H2,1H3,(H,7,8,9);/q;+1/p-1/rC6H13NaO3S/c1-2-3-4-5-6-11(8,9)10-7/h2-6H2,1H3


name: N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-benzotriazole-5-carboxamide monohydrochloride
cas: 28322-37-4
dtxsid: DTXSID90951017
formula: C15H21N5O2
inchikey: LDPLUFCSIHJQKF-UHFFFAOYSA-N
norman_susdat_id: NS00049556
pubchem_cid: NA
smiles: Cl.O=C(NCC1N(CC)CCC1)C2=CC=3NN=NC3C=C2OC
inchi:
InChI=1/C15H21N5O2.ClH/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2;/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19);1H


name: Isopentyltriphenylphosphonium bromide
cas: 28322-40-9
dtxsid: DTXSID50951018
formula: C23H26P
inchikey: GZLGTVRDLCJQTO-UHFFFAOYSA-M
norman_susdat_id: NS00047691
pubchem_cid: 2759379
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCC(C)C
inchi:
InChI=1/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1


name: 3-nitro-4-phenoxy-5-sulphamoylbenzoic acid
cas: 28328-53-2
dtxsid: DTXSID40951022
formula: C13H11N2O7S
inchikey: NXJUSSNAIUIVKY-UHFFFAOYSA-N
norman_susdat_id: NS00047058
pubchem_cid: 119926
smiles: O=C(O)C=1C=C(C(OC=2C=CC=CC2)=C(C1)S(=O)(=O)N)[N+](=O)[O-]
inchi:
InChI=1/C13H10N2O7S/c14-23(20,21)11-7-8(13(16)17)6-10(15(18)19)12(11)22-9-4-2-1-3-5-9/h1-7H,(H,16,17)(H2,14,20,21)


name: 3-Amino-5-(aminosulphonyl)-4-phenoxybenzoic acid
cas: 28328-54-3
chemspiderid: 107075
dtxsid: DTXSID10182568
formula: C13H12N2O5S1
inchikey: GVQZPZSQRCXSJI-UHFFFAOYSA-N
norman_susdat_id: NS00028461
pubchem_cid: 119927
smiles: Nc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)O
inchi:
InChI=1S/C13H12N2O5S/c14-10-6-8(13(16)17)7-11(21(15,18)19)12(10)20-9-4-2-1-3-5-9/h1-7H,14H2,(H,16,17)(H2,15,18,19)


name: 1,3,5-Triphenylcyclohexane, cis,trans-
cas: 28336-57-4
chebiid: CHEBI:79936
chemspiderid: 107078
dtxsid: DTXSID00182572
formula: C24H24
inchikey: YVPJVAWPIRGOJN-UHFFFAOYSA-N
norman_susdat_id: NS00028464
pubchem_cid: 119930
smiles: C1C(CC(CC1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H24/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-15,22-24H,16-18H2/t22-,23-,24-


name: 4-[3-[4-(dimethylamino)phenyl]allylidene]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid
cas: 28336-80-3
formula: C21H19N3O3
inchikey: NCMCJHVZDVDKIE-UHFFFAOYSA-N
norman_susdat_id: NS00047748
pubchem_cid: 119931
smiles: O=C(O)C1=NN(C=2C=CC=CC2)C(=O)C1=CC=CC3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C21H19N3O3/c1-23(2)16-13-11-15(12-14-16)7-6-10-18-19(21(26)27)22-24(20(18)25)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,26,27)


name: Benzenesulfonic acid, tetradecyl-, sodium salt
cas: 28348-61-0
dtxsid: DTXSID4041652
formula: C20H34O3S
inchikey: ZIGVUIYVPLQEAL-UHFFFAOYSA-M
norman_susdat_id: NS00047749
pubchem_cid: 13628923
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCCCCCC
inchi:
InChI=1/C20H34O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23;/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23);/q;+1/p-1


name: Sodium isopropylnaphthalenesulphonate
cas: 28348-64-3
formula: C13H14O3S.Na
inchikey: FGDMJJQHQDFUCP-UHFFFAOYSA-M
norman_susdat_id: NS00082387
smiles: [Na+].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C13H14O3S.Na/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3-9H,1-2H3,(H,14,15,16);/q;+1/p-1


name: 1-Naphthalenamine, 4-(1-naphthalenylazo)-
cas: 2835-61-2
chemspiderid: 21159725
dtxsid: DTXSID7062661
formula: C20H15N3
inchikey: SILZUVHOJDAKAS-UHFFFAOYSA-N
norman_susdat_id: NS00021101
pubchem_cid: 76078
smiles: Nc1c2ccccc2c(cc1)N=Nc1cccc2c1cccc2
inchi:
InChI=1S/C20H15N3/c21-18-12-13-20(17-10-4-3-9-16(17)18)23-22-19-11-5-7-14-6-1-2-8-15(14)19/h1-13H,21H2/b23-22+


name: Potassium diisopropylnaphthalenesulphonate
cas: 28351-20-4
formula: C16H20O3S.K
inchikey: MEMPYGRMTOKWFJ-UHFFFAOYSA-M
norman_susdat_id: NS00082388
smiles: [K+].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C16H20O3S.K/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1


name: Spiromesifen
cas: 283594-90-1
chebiid: CHEBI:38640
chemspiderid: 8083064
dtxsid: DTXSID1034929
formula: C23H30O4
inchikey: GOLXNESZZPUPJE-UHFFFAOYSA-N
norman_susdat_id: NS00004014
pubchem_cid: 9907412
smiles: Cc1cc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCCC3)OC2=O)c(C)c1
inchi:
InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3


name: 2-chloro-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]acetamide
cas: 2836-40-0
dtxsid: DTXSID50182603
formula: C15H10Cl2FNO2
inchikey: JXGJTLQYJCMHKX-UHFFFAOYSA-N
norman_susdat_id: NS00049249
pubchem_cid: 76085
smiles: O=C(C=1C=CC=CC1F)C2=CC(Cl)=CC=C2NC(=O)CCl
inchi:
InChI=1/C15H10Cl2FNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodopentacosane
cas: 2837-34-5
dtxsid: DTXSID30895421
formula: C25H36F15I
inchikey: AGPPLHDXJQVLSS-UHFFFAOYSA-N
norman_susdat_id: NS00110029
smiles: CCCCCCCCCCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C25H36F15I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(41)17-19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h18H,2-17H2,1H3


cas: 28371-18-8
formula: C29H50O5Si2
inchikey: GXPQFBGWPCSXOW-OFSUIYKDSA-N
norman_susdat_id: NS00113910
pubchem_cid: 91696448
name:
3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-14-Hydroxy-10,13-dimethyl-3,12-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

inchi:
InChI=1S/C29H50O5Si2/c1-27-13-11-21(33-35(3,4)5)16-20(27)9-10-23-24(27)17-25(34-36(6,7)8)28(2)22(12-14-29(23,28)31)19-15-26(30)32-18-19/h15,20-25,31H,9-14,16-18H2,1-8H3/t20-,21+,22-,23-,24+,25-,27+,28+,29+/m1/s1

smiles:
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O[Si](C)(C)C)O[Si](C)(C)C


name: Methyl 2,6,10-trimethylcyclododeca-2,5,9-trien-1-yl ketone
cas: 28371-99-5
chemspiderid: 32815741
dtxsid: DTXSID3051963
formula: C17H26O1
inchikey: QWAUHUKNKGMBBD-GDAKKANCSA-N
norman_susdat_id: NS00012997
pubchem_cid: 6438191
smiles: CC(=O)C1CCC(=CCCC(=C/C/C=C1/C)C)/C
inchi:
InChI=1S/C17H26O/c1-13-7-5-8-14(2)11-12-17(16(4)18)15(3)10-6-9-13/h8-10,17H,5-7,11-12H2,1-4H3/b13-9-,14-8-,15-10-


name: 2-hydroxypropyl 4-oxo-4-[(tributylstannyl)oxy]isocrotonate
cas: 28375-10-2
formula: C19H36O5Sn
inchikey: VVHZDGRKFKZGDO-RFTJRDPSSA-M
norman_susdat_id: NS00047759
pubchem_cid: 20839065
smiles: O=C(OCC(O)C)C=CC(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C7H10O5.3C4H9.Sn/c1-5(8)4-12-7(11)3-2-6(9)10;3*1-3-4-2;/h2-3,5,8H,4H2,1H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H36O5Sn/c1-5-8-13-25(14-9-6-2,15-10-7-3)24-19(22)12-11-18(21)23-16-17(4)20/h11-12,17,20H,5-10,13-16H2,1-4H3


name: Bumetanide
cas: 28395-03-1
chebiid: CHEBI:3213
chemspiderid: 2377
dtxsid: DTXSID5022699
formula: C17H20N2O5S1
inchikey: MAEIEVLCKWDQJH-UHFFFAOYSA-N
norman_susdat_id: NS00009049
pubchem_cid: 2471
smiles: CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O
inchi:
InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)


name: gamma-L-Glutamyl-alpha-naphthylamide
cas: 28401-75-4
chemspiderid: 14679140
dtxsid: DTXSID70182625
formula: C15H16N2O3
inchikey: HKLQAUAUMGSBHL-ZDUSSCGKSA-N
norman_susdat_id: NS00028481
pubchem_cid: 119952
smiles: NC(=O)CC[C@H](Nc1cccc2c1cccc2)C(=O)O
inchi:
InChI=1S/C15H16N2O3/c16-14(18)9-8-13(15(19)20)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13,17H,8-9H2,(H2,16,18)(H,19,20)/t13-/m0/s1


name: Denibulin
cas: 284019-34-7
dtxsid: DTXSID90182627
formula: C18H19N5O3S
inchikey: GAOHLWCIAJNSEE-JTQLQIEISA-N
norman_susdat_id: NS00070525
pubchem_cid: 11661758
smiles: COC(=O)Nc1nc2ccc(Sc3ccc(NC(=O)[C@H](C)N)cc3)cc2[nH]1
inchi:
InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1


name: NPS-2143
cas: 284035-33-2
dtxsid: DTXSID10426075
formula: C24H25ClN2O2
inchikey: PZUJQWHTIRWCID-HXUWFJFHSA-N
norman_susdat_id: NS00069698
pubchem_cid: 6918446
smiles: CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
inchi:
InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1


cas: 28407-37-6
formula: C32H16Cu2N6O16S4.4Na
inchikey: GWEZPAIPHHUMTI-UHFFFAOYSA-F
norman_susdat_id: NS00083124
name:
Tetrasodium [µ-[[3,3'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)

inchi:
InChI=1/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/rC32H20Cu2N6O16S4.4Na/c35-19-11-17(57(41,42)43)5-15-9-25(59(47,48)49)29-31(27(15)19)55-33-53-23-7-13(1-3-21(23)37-39-29)14-2-4-22-24(8-14)54-34-56-32-28-16(6-18(12-20(28)36)58(44,45)46)10-26(60(50,51)52)30(32)40-38-22;;;;/h1-12H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Nc1cc(cc2cc(c3N=Nc4ccc(cc4O[Cu]Oc3c12)c5ccc6N=Nc7c(O[Cu]Oc6c5)c8c(N)cc(cc8cc7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 28416-66-2
formula: C16H24N2.C6H8O7
inchikey: ZXASMEUEMIIBDZ-UHFFFAOYSA-L
norman_susdat_id: NS00082821
smiles: CC(C)C(CC(C)[NH+](C)C)(C#N)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
name:
(3-cyano-2-methyl-3-phenylhexane-5-yl)dimethylammonium dihydrogen (2-hydroxypropane-1,2,3-tricarboxylate)

inchi:
InChI=1/C16H24N2.C6H8O7/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-10,13-14H,11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


cas: 28416-82-2
chemspiderid: 7997838
dtxsid: DTXSID10431346
formula: C21H26F2O5
inchikey: QSVBUQTYFQFEHC-IDIDPBNYSA-N
norman_susdat_id: NS00028482
pubchem_cid: 9822089
smiles: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(O)=O
name:
(6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

inchi:
InChI=1S/C21H26F2O5/c1-10-6-12-13-8-15(22)14-7-11(24)4-5-18(14,2)20(13,23)16(25)9-19(12,3)21(10,28)17(26)27/h4-5,7,10,12-13,15-16,25,28H,6,8-9H2,1-3H3,(H,26,27)/t10-,12+,13+,15+,16+,18+,19+,20+,21?/m1/s1


cas: 28434-00-6
dtxsid: DTXSID2039336
formula: C19H26O3
inchikey: XAHOQOGEXLHZKP-XOYHFGRZSA-N
norman_susdat_id: NS00066784
pubchem_cid: 67946591
smiles: O=C(OC1=C(C)C(C(=O)C1)CC=C)C2C(C=C(C)C)C2(C)C
name:
3-allyl-2-methyl-4-oxocyclopent-2-en-1-yl [1R-[1a(S*),3ß]]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate

inchi:
InChI=1/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,13-14,17H,1,8,10H2,2-6H3


name: Bioresmethrin
cas: 28434-01-7
chebiid: CHEBI:39280
chemspiderid: 142577
dtxsid: DTXSID2034382
formula: C22H26O3
inchikey: VEMKTZHHVJILDY-UXHICEINSA-N
norman_susdat_id: NS00099452
pubchem_cid: 162381
smiles: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)OCc2cc(oc2)Cc3ccccc3)C
inchi:
InChI=1S/C22H26O3/c1-15(2)10-19-20(22(19,3)4)21(23)25-14-17-12-18(24-13-17)11-16-8-6-5-7-9-16/h5-10,12-13,19-20H,11,14H2,1-4H3/t19-,20+/m1/s1


name: Sodium 3-(aminosulphonyl)-5-(butylamino)-4-phenoxybenzoate
cas: 28434-74-4
formula: C17H20N2O5S.Na
inchikey: QDFGOJHAQZEYQL-UHFFFAOYSA-M
norman_susdat_id: NS00082822
smiles: [Na+].CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)[O-]
inchi:
InChI=1/C17H20N2O5S.Na/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13;/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23);/q;+1/p-1


name: 3a,17,21-trihydroxy-5ß-pregnane-11,20-dione 3,21-di(acetate)
cas: 28439-40-9
dtxsid: DTXSID60951089
formula: C25H36O7
inchikey: PXQRJZNDFRAFTF-BQCMLFGMSA-N
norman_susdat_id: NS00047761
pubchem_cid: 21119912
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4CC(OC(=O)C)CCC4(C)C3C(=O)CC21C)C
inchi:
InChI=1/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3


name: 5-a,11-ß,17-a,21-tetrahydroxy-6-ß-methylpregnane-3,20-dione 21-acetate
cas: 28439-53-4
dtxsid: DTXSID70951090
formula: C24H36O7
inchikey: SKQZWXHBCDJNNV-OMDNDWLBSA-N
norman_susdat_id: NS00047770
pubchem_cid: 119959
smiles: O=C(OCC(=O)C1(O)CCC2C3CC(C)C4(O)CC(=O)CCC4(C)C3C(O)CC21C)C
inchi:
InChI=1/C24H36O7/c1-13-9-16-17-6-8-23(29,19(28)12-31-14(2)25)22(17,4)11-18(27)20(16)21(3)7-5-15(26)10-24(13,21)30/h13,16-18,20,27,29-30H,5-12H2,1-4H3


name: Sorafenib
cas: 284461-73-0
chebiid: CHEBI:50924
chemspiderid: 187440
dtxsid: DTXSID7041128
formula: C21H16Cl1F3N4O3
inchikey: MLDQJTXFUGDVEO-UHFFFAOYSA-N
norman_susdat_id: NS00005946
pubchem_cid: 216239
smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
inchi:
InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)


name: BM-567
cas: 284464-77-3
chemspiderid: 8042059
dtxsid: DTXSID70182645
formula: C18H30N4O5S1
inchikey: WNIPBGJWMANRGA-UHFFFAOYSA-N
norman_susdat_id: NS00016762
pubchem_cid: 9866368
smiles: CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1NC1CCCCC1)[N](=O)O
inchi:
InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)


name: Allolactose
cas: 28447-39-4
chebiid: CHEBI:36231
dtxsid: DTXSID10862050
formula: C12H22O11
inchikey: DLRVVLDZNNYCBX-HPMVBDDHSA-N
norman_susdat_id: NS00070822
pubchem_cid: 9548799
smiles: OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12-/m1/s1


name: Tris[4-(heptadecafluorooctyl)phenyl]phosphine
cas: 284472-92-0
chemspiderid: 2936981
dtxsid: DTXSID00395302
formula: C42H12F51P1
inchikey: RTNPUWLBWXIECX-UHFFFAOYSA-N
norman_susdat_id: NS00018891
pubchem_cid: 3705435
inchi:
InChI=1S/C42H12F51P/c43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-1-7-16(8-2-13)94(17-9-3-14(4-10-17)20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90)18-11-5-15(6-12-18)21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93/h1-12H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)P(C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: (17Z)-11ß,21-dihydroxypregna-1,4,17(20)-trien-3-one 21-acetate
cas: 28449-43-6
formula: C23H30O4
inchikey: SXDJNTFEKRMWCP-XEXLYTDQSA-N
norman_susdat_id: NS00047129
pubchem_cid: 20839067
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(=CCOC(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C23H30O4/c1-14(24)27-11-9-15-5-7-19-18-6-4-16-12-17(25)8-10-22(16,2)21(18)20(26)13-23(15,19)3/h8-10,12,18-21,26H,4-7,11,13H2,1-3H3


name: 10H-Phenothiazine, 3,7-diisooctyl-
cas: 28452-78-0
chemspiderid: 147662
dtxsid: DTXSID1067386
formula: C28H41N1S1
inchikey: JPVMUULPJCDXNQ-UHFFFAOYSA-N
norman_susdat_id: NS00028485
pubchem_cid: 168806
smiles: CC(C)CCCCCc1cc2c(Nc3c(S2)cc(CCCCCC(C)C)cc3)cc1
inchi:
InChI=1S/C28H41NS/c1-21(2)11-7-5-9-13-23-15-17-25-27(19-23)30-28-20-24(16-18-26(28)29-25)14-10-6-8-12-22(3)4/h15-22,29H,5-14H2,1-4H3


name: 1,4:3,6-dianhydro-D-glucitol monooleate
cas: 28454-96-8
formula: C24H42O5
inchikey: JDRAOGVAQOVDEB-ANOHMWSOSA-N
norman_susdat_id: NS00082426
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
inchi:
InChI=1/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h9-10,20-21,23-25H,2-8,11-19H2,1H3


name: 1,4:3,6-Dianhydro-D-glucitol monolaurate
cas: 28454-97-9
chemspiderid: 9029036
dtxsid: DTXSID80182651
formula: C18H32O5
inchikey: CEZONBVMFRWNCJ-CYGHRXIMSA-N
norman_susdat_id: NS00028486
pubchem_cid: 10853743
smiles: CCCCCCCCCCCC(=O)OC1COC2C(O)COC12
inchi:
InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-10-11-16(20)23-15-13-22-17-14(19)12-21-18(15)17/h14-15,17-19H,2-13H2,1H3/t14-,15-,17-,18+/m0/s1


name: 2-[(1-oxooctadecyl)oxy]-1-[[(1-oxooctadecyl)oxy]methyl]ethyl oleate
cas: 2846-04-0
formula: C57H108O6
inchikey: RBLADLVPSYELCA-IKPAITLHSA-N
norman_susdat_id: NS00049251
pubchem_cid: 13183956
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,54H,4-26,28-29,31-53H2,1-3H3


name: Acetamide, N-[5-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-
cas: 28462-17-1
chemspiderid: 107100
dtxsid: DTXSID1067388
formula: C21H21Cl1N6O5
inchikey: UYRHHMBFMQRBGX-UHFFFAOYSA-N
norman_susdat_id: NS00020182
pubchem_cid: 119963
smiles: CC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCC#N)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C21H21ClN6O5/c1-14(29)24-21-13-16(27(9-3-8-23)10-11-33-15(2)30)4-7-20(21)26-25-19-6-5-17(28(31)32)12-18(19)22/h4-7,12-13H,3,9-11H2,1-2H3,(H,24,29)/b26-25+


name: Propane-1,2,3-triyl tris[(3-isocyanatomethylphenyl)carbamate]
cas: 28470-82-8
dtxsid: DTXSID60951160
formula: C30H26N6O9
inchikey: LROWRZDVKJRCSR-UHFFFAOYSA-N
norman_susdat_id: NS00047816
pubchem_cid: 21119913
smiles: O=C=NCC=1C=CC=C(C1)NC(=O)OCC(OC(=O)NC2=CC=CC(=C2)CN=C=O)COC(=O)NC3=CC=CC(=C3)CN=C=O
inchi:
InChI=1/C30H26N6O9/c37-18-31-13-21-4-1-7-24(10-21)34-28(40)43-16-27(45-30(42)36-26-9-3-6-23(12-26)15-33-20-39)17-44-29(41)35-25-8-2-5-22(11-25)14-32-19-38/h1-12,27H,13-17H2,(H,34,40)(H,35,41)(H,36,42)


name: Diisodecyl azelaate
cas: 28472-97-1
chemspiderid: 107104
dtxsid: DTXSID9027942
formula: C29H56O4
inchikey: WLLCYXDFVBWGBU-UHFFFAOYSA-N
norman_susdat_id: NS00009957
pubchem_cid: 119967
smiles: CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C29H56O4/c1-26(2)20-14-8-6-12-18-24-32-28(30)22-16-10-5-11-17-23-29(31)33-25-19-13-7-9-15-21-27(3)4/h26-27H,5-25H2,1-4H3


name: Mecoprop-isooctyl
cas: 28473-03-2
chemspiderid: 519903
dtxsid: DTXSID2034706
formula: C18H27Cl1O3
inchikey: QSERAAUJOZXWGA-UHFFFAOYNA-N
norman_susdat_id: NS00028494
pubchem_cid: NA
smiles: CCCCCCC(C)OC(=O)C(C)Oc1c(C)cc(Cl)cc1
inchi:
InChI=1S/C18H27ClO3/c1-5-6-7-8-9-14(3)21-18(20)15(4)22-17-11-10-16(19)12-13(17)2/h10-12,14-15H,5-9H2,1-4H3/t14-,15+/m0/s1


name: Diisodecyl decanedioate
cas: 28473-19-0
chemspiderid: 107105
dtxsid: DTXSID5047536
formula: C30H58O4
inchikey: OAXZVLMNNOOMGN-UHFFFAOYSA-N
norman_susdat_id: NS00002348
pubchem_cid: 119968
smiles: CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3


name: ASCORBYL DIPALMITATE
cas: 28474-90-0
chemspiderid: 147670
formula: C38H68O8
inchikey: TZMXUZAZMXYWGC-UHFFFAOYSA-N
norman_susdat_id: NS00013371
pubchem_cid: 23114525
smiles: CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)[C@H]1OC(=O)C(=C1OC(=O)CCCCCCCCCCCCCCC)O
inchi:
InChI=1S/C38H68O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(40)44-32(31-39)36-37(35(42)38(43)46-36)45-34(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,36,39,42H,3-31H2,1-2H3/t32-,36+/m0/s1


name: 5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-hydroxy-2-methoxybenzamide monohydrochloride
cas: 28478-48-0
dtxsid: DTXSID00951164
formula: C15H21ClN2O3
inchikey: FHUKMJGACMEEKS-UHFFFAOYSA-N
norman_susdat_id: NS00047130
pubchem_cid: 206735
smiles: Cl.O=C(NCC1N(CC)CCC1)C2=CC(Cl)=C(O)C=C2OC
inchi:
InChI=1/C15H21ClN2O3.ClH/c1-3-18-6-4-5-10(18)9-17-15(20)11-7-12(16)13(19)8-14(11)21-2;/h7-8,10,19H,3-6,9H2,1-2H3,(H,17,20);1H


name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2-oxo-2H-1,4-benzodiazepin-3-yl acetate
cas: 2848-96-6
dtxsid: DTXSID00951169
formula: C17H12Cl2N2O3
inchikey: CYDZMDOLVUBPNL-UHFFFAOYSA-N
norman_susdat_id: NS00049307
pubchem_cid: 17836
smiles: O=C(OC1N=C(C=2C=CC=CC2Cl)C=3C=C(Cl)C=CC3NC1=O)C
inchi:
InChI=1/C17H12Cl2N2O3/c1-9(22)24-17-16(23)20-14-7-6-10(18)8-12(14)15(21-17)11-4-2-3-5-13(11)19/h2-8,17H,1H3,(H,20,23)


name: Benzenamine, 4-[(4-aminocyclohexyl)methyl]-
cas: 28480-77-5
chemspiderid: 107106
dtxsid: DTXSID0067391
formula: C13H20N2
inchikey: NRVOGWCXEOJNFS-UHFFFAOYSA-N
norman_susdat_id: NS00020622
pubchem_cid: 119969
smiles: NC1CCC(Cc2ccc(N)cc2)CC1
inchi:
InChI=1S/C13H20N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-2,5-6,11,13H,3-4,7-9,14-15H2/t11-,13-


name: Acetamide, N-[3-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]phenyl]-
cas: 28505-89-7
chemspiderid: 107109
dtxsid: DTXSID0067393
formula: C15H19N3O3
inchikey: LLFYBLBUVUYAQU-UHFFFAOYSA-N
norman_susdat_id: NS00028500
pubchem_cid: 119972
smiles: CC(=O)Nc1cccc(c1)N(CCOC(=O)C)CCC#N
inchi:
InChI=1S/C15H19N3O3/c1-12(19)17-14-5-3-6-15(11-14)18(8-4-7-16)9-10-21-13(2)20/h3,5-6,11H,4,8-10H2,1-2H3,(H,17,19)


name: S-((Perfluoro-7-(methyl)octyl)ethyl) thiomethacrylate
cas: 28506-33-4
chemspiderid: 106883
dtxsid: DTXSID5067394
formula: C15H9F19O1S1
inchikey: LELPCBUDRUDINH-UHFFFAOYSA-N
norman_susdat_id: NS00018892
pubchem_cid: 119973
smiles: CC(=C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C15H9F19OS/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3


name: He2000
cas: 28507-02-0
dtxsid: DTXSID60865430
formula: C19H29BrO2
inchikey: CWVMWSZEMZOUPC-JUAXIXHSSA-N
norman_susdat_id: NS00069693
pubchem_cid: 71613
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@@H](Br)C2=O
inchi:
InChI=1S/C19H29BrO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h11-16,21H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+,18-,19-/m0/s1


name: Neopentyl glycol bis(2-ethylhexanoate)
cas: 28510-23-8
chemspiderid: 31567
dtxsid: DTXSID20865431
formula: C21H40O4
inchikey: GORMSINSWZJIKL-UHFFFAOYSA-N
norman_susdat_id: NS00002423
pubchem_cid: 34260
smiles: CCCCC(CC)C(=O)OCC(C)(C)COC(=O)C(CC)CCCC
inchi:
InChI=1S/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3


name: Disodium dodecyl(sulphonatophenoxy)benzenesulphonate
cas: 28519-02-0
chemspiderid: 17215455
dtxsid: DTXSID9027944
formula: C24H34O7S2
inchikey: HUHBEJNFURMZLH-UHFFFAOYSA-L
norman_susdat_id: NS00019401
pubchem_cid: 22833329
smiles: [Na+].[Na+].CCCCCCCCCCCCc1c(Oc2c(cccc2)S(=O)(=O)[O-])cccc1S(=O)(=O)[O-]
inchi:
InChI=1S/C24H34O7S2/c1-2-3-4-5-6-7-8-9-10-11-15-20-21(17-14-19-23(20)32(25,26)27)31-22-16-12-13-18-24(22)33(28,29)30/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30)


name: 2-Amino-N-benzyl-4-chloro-5-sulphamoylbenzamide
cas: 28524-74-5
chemspiderid: 107112
dtxsid: DTXSID30182747
formula: C14H14Cl1N3O3S1
inchikey: IEWOHHVSDFBULI-UHFFFAOYSA-N
norman_susdat_id: NS00028503
pubchem_cid: 119975
smiles: Nc1cc(Cl)c(cc1C(=O)NCc1ccccc1)S(=O)(=O)N
inchi:
InChI=1S/C14H14ClN3O3S/c15-11-7-12(16)10(6-13(11)22(17,20)21)14(19)18-8-9-4-2-1-3-5-9/h1-7H,8,16H2,(H,18,19)(H2,17,20,21)


name: methyl 3-Î±,7-Î±-diacetoxy-12-oxo-5-Î²-cholan-24-oate
cas: 28535-81-1
chemspiderid: 106993
formula: C29H44O7
inchikey: GVIZCQOBODPSLY-UHFFFAOYSA-N
norman_susdat_id: NS00007503
pubchem_cid: 119834
smiles: COC(=O)CCC(C)C1CCC2C3C(CC4CC(CCC4(C)C3CC(=O)C12C)OC(C)=O)OC(C)=O
inchi:
InChI=1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3


name: IMMA
cas: 2854-32-2
chebiid: CHEBI:93649
chemspiderid: 2321
formula: C23H23Cl1N2O4
inchikey: BJSDNVVWJYDOLK-UHFFFAOYSA-N
norman_susdat_id: NS00017989
pubchem_cid: 2415
smiles: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N4CCOCC4
inchi:
InChI=1S/C23H23ClN2O4/c1-15-19(14-22(27)25-9-11-30-12-10-25)20-13-18(29-2)7-8-21(20)26(15)23(28)16-3-5-17(24)6-4-16/h3-8,13H,9-12,14H2,1-2H3


name: Tentoxin
cas: 28540-82-1
chebiid: CHEBI:9439
chemspiderid: 4444584
dtxsid: DTXSID70893264
formula: C22H30N4O4
inchikey: SIIRBDOFKDACOK-LFXZBHHUSA-N
norman_susdat_id: NS00010350
pubchem_cid: 5281143
smiles: C[C@H]1C(=O)N[C@H](C(=O)N(/C(=Cc2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C
inchi:
InChI=1S/C22H30N4O4/c1-14(2)11-17-22(30)26(5)18(12-16-9-7-6-8-10-16)21(29)23-13-19(27)25(4)15(3)20(28)24-17/h6-10,12,14-15,17H,11,13H2,1-5H3,(H,23,29)(H,24,28)/b18-12-/t15-,17-/m0/s1


cas: 28543-87-5
dtxsid: DTXSID60885436
formula: C22H28Cl2N4OS2
inchikey: BXMQENLBAUPBFK-UHFFFAOYSA-N
norman_susdat_id: NS00047872
pubchem_cid: 119978
smiles: O=C1C(SC(=S)N1CC)=CC=C2N(C3=CC(Cl)=C(Cl)C=C3N2CCN(CC)CC)CC
name:
5-[2-[5,6-dichloro-1-[2-(diethylamino)ethyl]-3-ethylbenzimidazolin-2-ylidene]ethylidene]-3-ethylrhodanine

inchi:
InChI=1/C22H28Cl2N4OS2/c1-5-25(6-2)11-12-28-18-14-16(24)15(23)13-17(18)26(7-3)20(28)10-9-19-21(29)27(8-4)22(30)31-19/h9-10,13-14H,5-8,11-12H2,1-4H3


cas: 28546-93-2
formula: C23H16Cl2O6.3Na
inchikey: HUCLZETWCAHAKK-UHFFFAOYSA-K
norman_susdat_id: NS00082893
smiles: CC1=CC(=C(c2cc(C)c(O[Na])c(c2)C(=O)O[Na])c3c(Cl)cccc3Cl)C=C(C(=O)O[Na])C1=O
name:
Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-oxido-3-methylbenzoate

inchi:
InChI=1/C23H16Cl2O6.3Na/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31;;;/h3-9,26H,1-2H3,(H,28,29)(H,30,31);;;/q;3*+1/p-3


name: Diisononyl phthalate
cas: 28553-12-0
chebiid: CHEBI:170065
chemspiderid: 31580
dtxsid: DTXSID4022521
formula: C26H42O4
inchikey: GDJOUZYAIHWDCA-UHFFFAOYSA-N
norman_susdat_id: NS00002920
pubchem_cid: 34277
smiles: CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C
inchi:
InChI=1S/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3


name: 3ß,12ß,14-trihydroxy-5ß-card-20(22)-enolide, monodigitoxoside
cas: 28553-21-1
dtxsid: DTXSID60951241
formula: C29H44O8
inchikey: JFSXBMIFXZFKHD-UHFFFAOYSA-N
norman_susdat_id: NS00048523
pubchem_cid: 119837
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6)CCC5(C)C4CC(O)C23C
inchi:
InChI=1/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3


cas: 28554-31-6
formula: C17H28O5S
norman_susdat_id: NS00101613
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(2-hydroxy-3-sulfopropyl)-.omega.-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-, sodium salt


name: Barusiban
cas: 285571-64-4
dtxsid: DTXSID90870310
formula: C40H63N9O8S
inchikey: UGNGRKKDUVKQDF-IHOMMZCZSA-N
norman_susdat_id: NS00073016
pubchem_cid: 9832431
inchi:
InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1

smiles:
CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCSCC[C@@H](C(=O)N(C)[C@H](CO)CCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@H](C)CC)NC1=O


name: Cypendazole
cas: 28559-00-4
chebiid: CHEBI:82059
chemspiderid: 31583
dtxsid: DTXSID3041825
formula: C16H19N5O3
inchikey: MKZGVGOBXZJKGV-UHFFFAOYSA-N
norman_susdat_id: NS00028506
pubchem_cid: 34280
smiles: COC(=O)Nc1nc2c(cccc2)n1C(=O)NCCCCCC#N
inchi:
InChI=1S/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)


name: N-(2-ethylhexyl)-D-gluconamide
cas: 28567-53-5
formula: C14H29NO6
inchikey: GUBOZUXRNZWHIW-FOMPKITHSA-N
norman_susdat_id: NS00048524
pubchem_cid: 18637304
smiles: O=C(NCC(CC)CCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C14H29NO6/c1-3-5-6-9(4-2)7-15-14(21)13(20)12(19)11(18)10(17)8-16/h9-13,16-20H,3-8H2,1-2H3,(H,15,21)


name: 5a,6a-epoxy-3ß,17-dihydroxy-16a-methylpregnan-20-one 3-acetate
cas: 2857-83-2
dtxsid: DTXSID50951250
formula: C24H36O5
inchikey: ZZEABJWXAVDRKW-KJXDMYTJSA-N
norman_susdat_id: NS00050019
pubchem_cid: 22213525
smiles: O=C(OC1CCC2(C)C3CCC4(C)C(CC(C)C4(O)C(=O)C)C3CC5OC52C1)C
inchi:
InChI=1/C24H36O5/c1-13-10-19-17-11-20-23(29-20)12-16(28-15(3)26)6-8-21(23,4)18(17)7-9-22(19,5)24(13,27)14(2)25/h13,16-20,27H,6-12H2,1-5H3


name: 2,5-diethoxy-4-(p-tolylthio)benzenediazonium chloride, compound with zinc chloride
cas: 28573-66-2
formula: C17H19N2O2S.xCl2Zn.Cl
inchikey: UAPCNHBBBWEEOE-UHFFFAOYSA-K
norman_susdat_id: NS00082459
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2
inchi:
InChI=1/C17H19N2O2S.3ClH.Zn/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;;;;/h6-11H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3


name: Barium dodecylbenzenesulphonate
cas: 28575-89-5
formula: C18H30O3S.1/2Ba
inchikey: BBCDCWSBHCIZJI-UHFFFAOYSA-L
norman_susdat_id: NS00083175
smiles: [Ba+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C18H30O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2


cas: 28580-43-0
dtxsid: DTXSID60880789
formula: C15H26
inchi: InChI=1/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3
inchikey: UIDUJXXQMGYOIN-UHFFFAOYSA-N
norman_susdat_id: NS00096286
smiles: CC1CCC2C1C1C(CCC2C)C1(C)C
name:
1h-cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.beta.,4a.beta.,7.beta.,7a.beta.,7b.alpha.)]-


name: (5a,6a)-7,8-didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
cas: 2859-16-7
dtxsid: DTXSID30951258
formula: C19H23NO3
inchikey: HGPQAWTZLJXCTC-SSTWWWIQSA-N
norman_susdat_id: NS00050021
pubchem_cid: 5492619
smiles: O(C1=CC=C2C3=C1OC4C(OC)C=CC5C(N(C)CCC345)C2)C
inchi:
InChI=1/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,12-13,15,18H,8-10H2,1-3H3


name: (3S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine sulphate
cas: 28594-13-0
formula: C15H23N6O5S.HO4S
inchikey: TVEIQLLFQONHOA-PECOQBPGSA-N
norman_susdat_id: NS00083176
inchi:
InChI=1/2C15H22N6O5S.H2O4S/c2*1-27(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;1-5(2,3)4/h2*5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);(H2,1,2,3,4)

smiles:
C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23.C[S+](CCC(N)C(=O)O)C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56.[O-]S(=O)(=O)[O-]


name: Doramapimod
cas: 285983-48-4
chebiid: CHEBI:40953
dtxsid: DTXSID2048957
formula: C31H37N5O3
inchikey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N
norman_susdat_id: NS00071680
pubchem_cid: 156422
smiles: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1
inchi:
InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)


name: Orientin
cas: 28608-75-5
chebiid: CHEBI:7781
chemspiderid: 4444994
dtxsid: DTXSID60182790
formula: C21H20O11
inchikey: PLAPMLGJVGLZOV-VPRICQMDSA-N
norman_susdat_id: NS00014643
pubchem_cid: 5281675
smiles: O=C1C=C(/Oc2c1c(O)cc(O)c2C3OC(CO)C(O)C(O)C3O)c4ccc(O)c(O)c4
inchi:
InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1


name: Rimazolium metilsulfate
cas: 28610-84-6
dtxsid: DTXSID10951276
formula: C13H19N2O3
inchikey: SEISMQVOJUJKGE-UHFFFAOYSA-M
norman_susdat_id: NS00049051
pubchem_cid: 71939
smiles: O=C(OCC)C1=C[N+](=C2N(C1=O)C(C)CCC2)C.O=S(=O)([O-])OC
inchi:
InChI=1/C13H19N2O3.CH4O4S/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16;1-5-6(2,3)4/h8-9H,4-7H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 17ß-hydroxy-4,17-dimethylandrost-4-en-3-one
cas: 28626-76-8
dtxsid: DTXSID50951295
formula: C21H32O2
inchikey: QVYNWPHQQYUBFK-FNEKEKTMSA-N
norman_susdat_id: NS00049052
pubchem_cid: 21119907
smiles: O=C1C(=C2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1)C
inchi:
InChI=1/C21H32O2/c1-13-15-6-5-14-16(19(15,2)10-9-18(13)22)7-11-20(3)17(14)8-12-21(20,4)23/h14,16-17,23H,5-12H2,1-4H3


name: (O,O-diisooctyl) bis(dithiophosphate)
cas: 28629-66-5
chemspiderid: 105359
formula: C16H35O2P1S2
inchikey: DXECDJILNIXBML-UHFFFAOYSA-N
norman_susdat_id: NS00008289
pubchem_cid: 117907
smiles: CC(C)CCCCCOP(S)(=S)OCCCCCC(C)C
inchi:
InChI=1S/C16H35O2PS2/c1-15(2)11-7-5-9-13-17-19(20,21)18-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,20,21)


name: 1-(2-Deoxy-3,5-di-O-phosphonopentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
cas: 2863-04-9
dtxsid: DTXSID30951298
formula: C10H16N2O11P2
inchikey: CSNCBOPUCJOHLS-XLPZGREQSA-N
norman_susdat_id: NS00070500
pubchem_cid: 121976
smiles: Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1


name: Estra-3,5-dien-17-one, 3-ethoxy-
cas: 2863-88-9
chemspiderid: 8578000
formula: C20H28O2
inchikey: QYLJNAMKKXVXBU-JAYZULETSA-N
norman_susdat_id: NS00003330
pubchem_cid: 10402562
smiles: CCOC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@H]2CC1
inchi:
InChI=1S/C20H28O2/c1-3-22-14-5-7-15-13(12-14)4-6-17-16(15)10-11-20(2)18(17)8-9-19(20)21/h4,12,15-18H,3,5-11H2,1-2H3/t15-,16+,17+,18-,20-/m0/s1


name: Ethyl 3-[4-[[(4-ethoxyphenyl)methylene]amino]phenyl]acrylate
cas: 2863-94-7
formula: C20H21NO3
inchikey: CVVDLYBLLWQIDB-BAAZBEGMSA-N
norman_susdat_id: NS00048719
pubchem_cid: 6436919
smiles: O=C(OCC)C=CC1=CC=C(N=CC2=CC=C(OCC)C=C2)C=C1
inchi:
InChI=1/C20H21NO3/c1-3-23-19-12-7-17(8-13-19)15-21-18-10-5-16(6-11-18)9-14-20(22)24-4-2/h5-15H,3-4H2,1-2H3


name: Isooctyl 2-(2,4-dichlorophenoxy)propionate
cas: 28631-35-8
dtxsid: DTXSID7034678
formula: C17H24Cl2O3
inchikey: OAKNYWMOJIXXDI-UHFFFAOYSA-N
norman_susdat_id: NS00048462
pubchem_cid: 15754796
smiles: O=C(OCCCCCC(C)C)C(OC1=CC=C(Cl)C=C1Cl)C
inchi:
InChI=1/C17H24Cl2O3/c1-12(2)7-5-4-6-10-21-17(20)13(3)22-16-9-8-14(18)11-15(16)19/h8-9,11-13H,4-7,10H2,1-3H3


name: O,O-diisodecyl hydrogen dithiophosphate
cas: 28631-44-9
formula: C20H43O2PS2
inchikey: KURZBXWWTUWWGB-UHFFFAOYSA-N
norman_susdat_id: NS00048411
pubchem_cid: 32792
smiles: S=P(S)(OCCCCCCCC(C)C)OCCCCCCCC(C)C
inchi:
InChI=1/C20H43O2PS2/c1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4/h19-20H,5-18H2,1-4H3,(H,24,25)


cas: 28631-66-5
dtxsid: DTXSID9044904
formula: C32H27N3O9S3
inchikey: WJHQBPPQVMBLSW-UHFFFAOYSA-L
norman_susdat_id: NS00047714
pubchem_cid: NA
name:
Disodium hydrogen aminomethyl[[4-[(sulphonatophenyl)amino]phenyl][4-[(sulphonatophenyl)imino]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulphonate

inchi:
InChI=1/C32H27N3O9S3.2Na.H2/c33-20-26-25(6-5-11-29(26)45(36,37)38)32(21-12-16-23(17-13-21)34-27-7-1-3-9-30(27)46(39,40)41)22-14-18-24(19-15-22)35-28-8-2-4-10-31(28)47(42,43)44;;;/h1-19,34H,20,33H2,(H,36,37,38)(H,39,40,41)(H,42,43,44);;;1H/q;3*+1/p-3

smiles:
Cc1cc(cc(c1N)S(=O)(=O)[O-])C(=C2C=CC(=Nc3ccc(cc3)S(=O)(=O)[O-])C=C2)c4ccc(cc4)Nc5ccc(cc5)S(=O)(=O)O.[Na+].[Na+]


name: 1,4,5,8-tetrakis(cyclohexylamino)anthraquinone
cas: 28634-38-0
dtxsid: DTXSID40885439
formula: C38H52N4O2
inchikey: DHYWINPMPQWEJZ-UHFFFAOYSA-N
norman_susdat_id: NS00048412
pubchem_cid: 21119916
smiles: O=C1C=2C(=CC=C(NC3CCCCC3)C2C(=O)C=4C(=CC=C(NC5CCCCC5)C14)NC6CCCCC6)NC7CCCCC7
inchi:
InChI=1/C38H52N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h21-28,39-42H,1-20H2


name: 3-oxo-3-phenyl-1-(3-thienyl)propyl aminomethanedithioate
cas: 286366-70-9
chemspiderid: 2007961
dtxsid: DTXSID60369387
formula: C14H13N1O1S3
inchikey: PEGKBRXZOKOCGM-UHFFFAOYSA-N
norman_susdat_id: NS00017142
pubchem_cid: 2725889
smiles: C1=CC=C(C=C1)C(=O)CC(C2=CSC=C2)SC(=S)N
inchi:
InChI=1S/C14H13NOS3/c15-14(17)19-13(11-6-7-18-9-11)8-12(16)10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H2,15,17)


cas: 2864-50-8
chemspiderid: 3467086
dtxsid: DTXSID70401323
formula: C27H46O4S1
inchikey: BHYOQNUELFTYRT-UHFFFAOYSA-N
norman_susdat_id: NS00014053
pubchem_cid: 4259412
smiles: [Na+].CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[S]([O-])(=O)=O
name:
(3S,8S,9S,10R,13R,14S,17R)-10,13-DIMETHYL-17-[(2R)-6-METHYLHEPTAN-2-YL]-3-SULFOOXY-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE

inchi:
InChI=1S/C27H46O4S.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21+,22+,23-,24+,25+,26+,27-;/m1./s1


name: Nigericin
cas: 28643-80-3
chebiid: CHEBI:7569
chemspiderid: 10196461
dtxsid: DTXSID9041079
formula: C40H68O11
inchikey: DANUORFCFTYTSZ-SJSJOXFOSA-N
norman_susdat_id: NS00010273
pubchem_cid: 34230
inchi:
InChI=1S/C40H68O11/c1-21-11-12-28(46-33(21)26(6)36(42)43)17-29-18-30(45-10)27(7)40(48-29)25(5)19-38(9,51-40)32-13-14-37(8,49-32)35-23(3)16-31(47-35)34-22(2)15-24(4)39(44,20-41)50-34/h21-35,41,44H,11-20H2,1-10H3,(H,42,43)/t21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34-,35+,37-,38-,39-,40+/m0/s1

smiles:
C[C@H]1CC[C@@H](O[C@H]1[C@@H](C)C(=O)O)C[C@@H]2C[C@H]([C@H]([C@@]3(O2)[C@@H](C[C@@](O3)(C)[C@H]4CC[C@@](O4)(C)[C@H]5[C@H](C[C@@H](O5)[C@@H]6[C@H](C[C@H]([C@@](O6)(CO)O)C)C)C)C)C)OC


name: Trinonylphenol
cas: 28652-08-6
chemspiderid: 2283565
dtxsid: DTXSID30182808
formula: C33H60O1
inchikey: RBPAPQWTNWGCGO-UHFFFAOYSA-N
norman_susdat_id: NS00028513
pubchem_cid: 3015421
smiles: CCCCCCCCCc1c(CCCCCCCCC)c(CCCCCCCCC)c(O)cc1
inchi:
InChI=1S/C33H60O/c1-4-7-10-13-16-19-22-25-30-28-29-33(34)32(27-24-21-18-15-12-9-6-3)31(30)26-23-20-17-14-11-8-5-2/h28-29,34H,4-27H2,1-3H3


name: Didecylphenol
cas: 28652-10-0
dtxsid: DTXSID00951321
formula: C26H46O
inchikey: LMWSYYYSTNEUFR-UHFFFAOYSA-N
norman_susdat_id: NS00048413
pubchem_cid: 15162371
smiles: OC1=CC=CC(=C1CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C26H46O/c1-3-5-7-9-11-13-15-17-20-24-21-19-23-26(27)25(24)22-18-16-14-12-10-8-6-4-2/h19,21,23,27H,3-18,20,22H2,1-2H3


name: Cinoxacin
cas: 28657-80-9
chebiid: CHEBI:3716
chemspiderid: 2660
dtxsid: DTXSID8022822
formula: C12H10N2O5
inchikey: VDUWPHTZYNWKRN-UHFFFAOYSA-N
norman_susdat_id: NS00006827
pubchem_cid: 2762
smiles: CCn1nc(C(O)=O)c(=O)c2cc3OCOc3cc12
inchi:
InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)


name: 2,2'-thiophene-2,5-diylbis(benzoxazole)
cas: 2866-43-5
dtxsid: DTXSID8051966
formula: C18H10N2O2S
inchikey: UGFSLKRMHPGLFU-UHFFFAOYSA-N
norman_susdat_id: NS00049345
pubchem_cid: 17867
smiles: N1=C(OC2=CC=CC=C12)C=3SC(=CC3)C4=NC5=CC=CC=C5O4
inchi:
InChI=1/C18H10N2O2S/c1-3-7-13-11(5-1)19-17(21-13)15-9-10-16(23-15)18-20-12-6-2-4-8-14(12)22-18/h1-10H


name: Dibutylbis(myristoyloxy)stannane
cas: 28660-67-5
dtxsid: DTXSID10182821
formula: C36H72O4Sn
inchikey: CSCQRXVSACSECP-UHFFFAOYSA-L
norman_susdat_id: NS00048454
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCC)(CCCC)CCCC)CCCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H72O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-35(37)39-41(33-11-7-3,34-12-8-4)40-36(38)32-30-28-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3


name: Sodium didodecylbenzenesulphonate
cas: 28678-55-9
formula: C30H54O3S.Na
inchikey: JRVWRMFPTWOUNN-UHFFFAOYSA-M
norman_susdat_id: NS00083179
smiles: [Na+].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C30H54O3S.Na/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;+1/p-1


name: Didodecylbenzenesulphonic acid
cas: 28679-14-3
dtxsid: DTXSID80182833
formula: C30H54O3S
inchikey: IRXPXBIZOBAGTM-UHFFFAOYSA-N
norman_susdat_id: NS00048469
pubchem_cid: 172176
smiles: O=S(=O)(O)C=1C=CC=C(C1CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C30H54O3S/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2/h23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33)


name: (dodecylbenzyl)triethylammonium chloride
cas: 28679-24-5
dtxsid: DTXSID20951343
formula: C25H46N
inchikey: RRXCPKUTUSEYNI-UHFFFAOYSA-M
norman_susdat_id: NS00048531
pubchem_cid: 53427372
smiles: [Cl-].C=1C=CC(=C(C1)CCCCCCCCCCCC)C[N+](CC)(CC)CC
inchi:
InChI=1/C25H46N.ClH/c1-5-9-10-11-12-13-14-15-16-17-20-24-21-18-19-22-25(24)23-26(6-2,7-3)8-4;/h18-19,21-22H,5-17,20,23H2,1-4H3;1H/q+1;/p-1


name: Cholan-24-oic acid, 3,6-dihydroxy-, methyl ester, (3alpha,5beta,6alpha)-
cas: 2868-48-6
chemspiderid: 4953925
dtxsid: DTXSID40182834
formula: C25H42O4
inchikey: BWDRDVHYVJQWBO-QWXHOCAMSA-N
norman_susdat_id: NS00028522
pubchem_cid: 6451460
smiles: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1


cas: 2868-75-9
dtxsid: DTXSID7073307
formula: C34H28N6O8S2
inchikey: XVJNOIOHMFFFIP-UHFFFAOYSA-L
norman_susdat_id: NS00049368
pubchem_cid: 17871
name:
Disodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)

inchi:
InChI=1/C34H28N6O8S2.2Na/c1-47-29-15-19(11-13-25(29)37-39-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)35)20-12-14-26(30(16-20)48-2)38-40-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)36;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)[O-])C(OC)=C3)=C(N)C=6C=CC=CC61


name: Didodecylnaphthalene
cas: 28680-67-3
dtxsid: DTXSID00951346
formula: C34H56
inchikey: WEEXSGAZENELNZ-UHFFFAOYSA-N
norman_susdat_id: NS00048532
pubchem_cid: 18433928
smiles: C=1C=CC2=C(C1)C=CC(=C2CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C34H56/c1-3-5-7-9-11-13-15-17-19-21-25-31-29-30-32-26-23-24-28-34(32)33(31)27-22-20-18-16-14-12-10-8-6-4-2/h23-24,26,28-30H,3-22,25,27H2,1-2H3


name: Tetradecylammonium (o,p-dichlorophenoxy)acetate
cas: 28685-18-9
formula: C14H31N.C8H6Cl2O3
inchikey: DLDBIAPNKRBPRS-UHFFFAOYSA-N
norman_susdat_id: NS00083158
smiles: CCCCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/C14H31N.C8H6Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h2-15H2,1H3;1-3H,4H2,(H,11,12)


name: 3-(diethylamino)-7-[[p-(dimethylamino)phenyl]azo]-5-phenylphenazinium chloride
cas: 2869-83-2
chebiid: CHEBI:21184
dtxsid: DTXSID80883898
formula: C30H31N6
inchikey: XXACTDWGHQXLGW-UHFFFAOYSA-M
norman_susdat_id: NS00050022
pubchem_cid: 76124
smiles: [Cl-].N(=NC=1C=CC=2N=C3C=CC(=CC3=[N+](C=4C=CC=CC4)C2C1)N(CC)CC)C5=CC=C(C=C5)N(C)C
inchi:
InChI=1/C30H31N6.ClH/c1-5-35(6-2)26-17-19-28-30(21-26)36(25-10-8-7-9-11-25)29-20-23(14-18-27(29)31-28)33-32-22-12-15-24(16-13-22)34(3)4;/h7-21H,5-6H2,1-4H3;1H/q+1;/p-1


name: Piperidinium laurate
cas: 28692-94-6
formula: C12H24O2.C5H11N
inchikey: CPWKNJDHUBWTSY-UHFFFAOYSA-N
norman_susdat_id: NS00083186
smiles: CCCCCCCCCCCC(=O)[O-].C1CC[NH2+]CC1
inchi:
InChI=1/C12H24O2.C5H11N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-4-6-5-3-1/h2-11H2,1H3,(H,13,14);6H,1-5H2


name: Fesoterodine
cas: 286930-03-8
chemspiderid: 8025521
dtxsid: DTXSID80182853
formula: C26H37N1O3
inchikey: DCCSDBARQIPTGU-UHFFFAOYSA-N
norman_susdat_id: NS00014333
pubchem_cid: 23161409
smiles: CC(C)C(=O)Oc1ccc(cc1[C@H](CCN(C(C)C)C(C)C)c2ccccc2)CO
inchi:
InChI=1S/C26H37NO3/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3/t23-/m1/s1


cas: 286936-40-1
formula: C52H72N8O8
inchikey: CQVAQQNDZCZBSU-UHFFFAOYSA-N
norman_susdat_id: NS00073464
pubchem_cid: 11953346
name:
N-[2-(dimethylamino)ethyl]-2-{[26,27,28-tris({[2-(dimethylamino)ethyl]carbamoyl}methoxy)pentacyclo[19.3.1.1³,?.1?,¹³.1¹?,¹?]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetamide

inchi:
InChI=1S/C52H72N8O8/c1-57(2)25-21-53-45(61)33-65-49-37-13-9-14-38(49)30-40-16-11-18-42(51(40)67-35-47(63)55-23-27-59(5)6)32-44-20-12-19-43(52(44)68-36-48(64)56-24-28-60(7)8)31-41-17-10-15-39(29-37)50(41)66-34-46(62)54-22-26-58(3)4/h9-20H,21-36H2,1-8H3,(H,53,61)(H,54,62)(H,55,63)(H,56,64)

smiles:
CN(C)CCNC(=O)COc1c2cccc1Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)Cc1cccc(c1OCC(=O)NCCN(C)C)C2


name: [(1-methyl-1,2-ethanediyl)bis[nitrilobis(methylene)]]tetrakis(phosphonic acid)
cas: 28698-31-9
chemspiderid: 3022462
formula: C7H22N2O12P4
inchikey: JSGPOBBEVFKQTL-UHFFFAOYSA-N
norman_susdat_id: NS00005100
pubchem_cid: 3794919
smiles: CC(CN(CP(O)(O)=O)CP(O)(O)=O)N(CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C7H22N2O12P4/c1-7(9(5-24(16,17)18)6-25(19,20)21)2-8(3-22(10,11)12)4-23(13,14)15/h7H,2-6H2,1H3,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)


name: C.I. Direct Yellow 12
cas: 2870-32-8
chemspiderid: 5257181
dtxsid: DTXSID5041728
formula: C30H28N4O8S2
inchikey: AVERNFJXXRIVQN-SFYYWBIISA-N
norman_susdat_id: NS00013613
pubchem_cid: NA
inchi:
InChI=1S/C30H28N4O8S2.2Na/c1-3-41-27-15-11-23(12-16-27)31-33-25-9-7-21(29(19-25)43(35,36)37)5-6-22-8-10-26(20-30(22)44(38,39)40)34-32-24-13-17-28(18-14-24)42-4-2;;/h5-20H,3-4H2,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b6-5-,33-31?,34-32?;;

smiles:
[Na+].[Na+].CCOc1ccc(cc1)N=Nc2ccc(C=C/c3ccc(cc3[S]([O-])(=O)=O)N=Nc4ccc(OCC)cc4)c(c2)[S]([O-])(=O)=O


name: N-methylatropinium bromide
cas: 2870-71-5
formula: C18H26NO3.Br
inchikey: PIPAJLPNWZMYQA-UHFFFAOYSA-N
norman_susdat_id: NS00083945
smiles: C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
inchi:
InChI=1/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1


cas: 28706-19-6
dtxsid: DTXSID40889699
formula: C31H26N6O11S3
inchikey: ANYFCNHZKDSDER-UHFFFAOYSA-K
norman_susdat_id: NS00049115
pubchem_cid: NA
name:
Trisodium 3-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]-o-tolyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C31H26N6O11S3.3Na/c1-18-13-19(9-11-26(18)37-36-22-15-25-24(30(17-22)51(45,46)47)7-4-8-29(25)50(42,43)44)32-31(38)33-27-12-10-21(16-28(27)48-2)35-34-20-5-3-6-23(14-20)49(39,40)41;;;/h3-17H,1-2H3,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C(=C1)C)NC4=CC=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C=C4OC


name: Tetrasodium 7,7'-[ureylenebis[(2-methyl-p-phenylene)azo]]dinaphthalene-1,3-disulphonate
cas: 28706-21-0
dtxsid: DTXSID90889700
formula: C35H28N6O13S4
inchikey: GHTAXKMDMSJLJR-UHFFFAOYSA-J
norman_susdat_id: NS00048552
pubchem_cid: NA
inchi:
InChI=1/C35H28N6O13S4.4Na/c1-19-11-23(38-40-25-5-3-21-13-27(55(43,44)45)17-33(29(21)15-25)57(49,50)51)7-9-31(19)36-35(42)37-32-10-8-24(12-20(32)2)39-41-26-6-4-22-14-28(56(46,47)48)18-34(30(22)16-26)58(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1C)NC4=CC=C(N=NC5=CC=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4C


name: Tetrasodium 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate
cas: 28706-22-1
dtxsid: DTXSID7067407
formula: C35H28N6O15S4
inchikey: HJXMMEXOJPCGEI-UHFFFAOYSA-J
norman_susdat_id: NS00048553
pubchem_cid: NA
inchi:
InChI=1/C35H28N6O15S4.4Na/c1-55-29-15-19(38-40-21-13-25-23(33(17-21)59(49,50)51)5-3-7-31(25)57(43,44)45)9-11-27(29)36-35(42)37-28-12-10-20(16-30(28)56-2)39-41-22-14-26-24(34(18-22)60(52,53)54)6-4-8-32(26)58(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C=C1OC)NC4=CC=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C=C4OC


cas: 28706-25-4
dtxsid: DTXSID50889701
formula: C41H28N6O15S4
inchikey: VDOGYBKHFWFTCJ-UHFFFAOYSA-J
norman_susdat_id: NS00049116
pubchem_cid: 116656
name:
Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=5C=CC=6C(C5)=CC(=C(N=NC=7C=CC8=CC(=CC=C8C7)S(=O)(=O)[O-])C6O)S(=O)(=O)[O-]


cas: 28706-33-4
dtxsid: DTXSID10889702
formula: C35H28N6O15S4
inchikey: RLFHKVCTLYWSBM-UHFFFAOYSA-J
norman_susdat_id: NS00047784
pubchem_cid: 162330
name:
Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C35H28N6O15S4.4Na/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50;;;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


name: [bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate
cas: 28706-44-7
dtxsid: DTXSID10885441
formula: C25H51NO4
inchikey: BBFOCPUTMUUPRR-UHFFFAOYSA-N
norman_susdat_id: NS00048554
pubchem_cid: NA
smiles: O=C(OCC[NH2+]C(CCO)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C25H51NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h24,26-28H,2-23H2,1H3;1H3,(H,2,3,4)


name: Disodium 2,2'-(methylimino)bisethanesulphonate
cas: 28711-15-1
dtxsid: DTXSID2067408
formula: C5H13NO6S2
inchikey: YZOMTZDAUSYBGD-UHFFFAOYSA-L
norman_susdat_id: NS00049117
pubchem_cid: 120024
smiles: [Na+].[Na+].O=S(=O)([O-])CCN(C)CCS(=O)(=O)[O-]
inchi:
InChI=1/C5H13NO6S2.2Na/c1-6(2-4-13(7,8)9)3-5-14(10,11)12;;/h2-5H2,1H3,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2


name: 2,7-bis[2-(dimethylamino)ethoxy]-9H-fluoren-9-one dihydrochloride
cas: 28712-30-3
dtxsid: DTXSID00182870
formula: C21H26N2O3
inchikey: ZBEFNNLHCLQRQD-UHFFFAOYSA-N
norman_susdat_id: NS00048138
pubchem_cid: 3015428
smiles: Cl.Cl.O=C1C=2C=C(OCCN(C)C)C=CC2C3=CC=C(OCCN(C)C)C=C13
inchi:
InChI=1/C21H26N2O3.2ClH/c1-22(2)9-11-25-15-5-7-17-18-8-6-16(26-12-10-23(3)4)14-20(18)21(24)19(17)13-15;;/h5-8,13-14H,9-12H2,1-4H3;2*1H


name: (r)-3-hydroxy-tetradecanoic acid
cas: 28715-21-1
chebiid: CHEBI:42539
dtxsid: DTXSID20941380
formula: C14H28O3
inchikey: ATRNZOYKSNPPBF-CYBMUJFWSA-N
norman_susdat_id: NS00068819
pubchem_cid: 5288266
smiles: CCCCCCCCCCC[C@@H](O)CC(=O)O
inchi:
InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1


name: n-cyclohexyl-n'-decylurea
cas: 287185-28-8
dtxsid: DTXSID50274431
formula: C17H34N2O
inchikey: LPXYBLIRYGCMPQ-UHFFFAOYSA-N
norman_susdat_id: NS00071110
pubchem_cid: 4359
smiles: CCCCCCCCCCNC(=O)NC1CCCCC1
inchi:
InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-12-15-18-17(20)19-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H2,18,19,20)


cas: 28719-79-1
dtxsid: DTXSID70889703
formula: C69H140N3O6
inchikey: MLOCGFBEDIYDHX-UHFFFAOYSA-K
norman_susdat_id: NS00048139
pubchem_cid: 168829
name:
2,2,5,8,8-pentamethyl-1,9-bis(octadecyloxycarbonyl)-5-(octadecyloxycarbonylmethyl)-2,5,8-triazonianonane trichloride

inchi:
InChI=1/C69H140N3O6.3ClH/c1-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-61-76-67(73)64-70(4,5)57-59-72(8,66-69(75)78-63-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-3)60-58-71(6,7)65-68(74)77-62-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-2;;;/h9-66H2,1-8H3;3*1H/q+3;;;/p-3

smiles:
[Cl-].[Cl-].[Cl-].O=C(OCCCCCCCCCCCCCCCCCC)C[N+](C)(C)CC[N+](C)(CC(=O)OCCCCCCCCCCCCCCCCCC)CC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCCCCCC


name: 4,4'-methylenebis(6-tert-butyl-m-cresol)
cas: 2872-08-4
dtxsid: DTXSID10897387
formula: C23H32O2
inchikey: CBPMAFPTGJZUSN-UHFFFAOYSA-N
norman_susdat_id: NS00049316
pubchem_cid: 76132
smiles: OC=1C=C(C(=CC1C(C)(C)C)CC2=CC(=C(O)C=C2C)C(C)(C)C)C
inchi:
InChI=1/C23H32O2/c1-14-9-20(24)18(22(3,4)5)12-16(14)11-17-13-19(23(6,7)8)21(25)10-15(17)2/h9-10,12-13,24-25H,11H2,1-8H3


name: C.I. Disperse Red 1
cas: 2872-52-8
chemspiderid: 16894
dtxsid: DTXSID6062678
formula: C16H18N4O3
inchikey: FOQABOMYTOFLPZ-UHFFFAOYSA-N
norman_susdat_id: NS00020184
pubchem_cid: 17886
smiles: CCN(CCO)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3/b18-17-


name: Phenyl tetra-O-acetyl-ß-D-galactopyranoside
cas: 2872-72-2
formula: C20H24O10
inchikey: HPKPFIHCMIKXMU-LCWAXJCOSA-N
norman_susdat_id: NS00049317
pubchem_cid: 102346
smiles: O=C(OCC1OC(OC=2C=CC=CC2)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C20H24O10/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(30-16)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3


name: 10-Methoxycarbamazepine
cas: 28721-09-7
chemspiderid: 107157
dtxsid: DTXSID90182884
formula: C16H14N2O2
inchikey: PIZOFBKQWNPKDK-UHFFFAOYSA-N
norman_susdat_id: NS00028531
pubchem_cid: 120031
smiles: COC1=Cc2c(cccc2)N(C(=O)N)c2c1cccc2
inchi:
InChI=1S/C16H14N2O2/c1-20-15-10-11-6-2-4-8-13(11)18(16(17)19)14-9-5-3-7-12(14)15/h2-10H,1H3,(H2,17,19)


name: 2,2'-Thiobis(ethyl acetoacetate)
cas: 28722-25-0
dtxsid: DTXSID10182886
formula: C28H34O16S
inchikey: ORIMSSAVRBFOSZ-UHFFFAOYSA-N
norman_susdat_id: NS00047486
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)C(C(=O)C)C(=O)C)SC(OC(=O)C(C(=O)C)C(=O)C)COC(=O)C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C
inchi:
InChI=1/C28H34O16S/c1-11(29)21(12(2)30)25(37)41-9-19(43-27(39)23(15(5)33)16(6)34)45-20(44-28(40)24(17(7)35)18(8)36)10-42-26(38)22(13(3)31)14(4)32/h19-24H,9-10H2,1-8H3


cas: 28724-32-5
formula: C23H50NO2
norman_susdat_id: NS00101793
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(methyloctadecyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, chloride


name: N-(1,3-dimethylbutyl)-N'-(methylphenyl)benzene-1,4-diamine
cas: 28727-50-6
dtxsid: DTXSID00951381
formula: C19H26N2
inchikey: UGEKKEKKHURDQF-UHFFFAOYSA-N
norman_susdat_id: NS00047487
pubchem_cid: 21119927
smiles: C=1C=CC(=C(C1)NC2=CC=C(C=C2)NC(C)CC(C)C)C
inchi:
InChI=1/C19H26N2/c1-14(2)13-16(4)20-17-9-11-18(12-10-17)21-19-8-6-5-7-15(19)3/h5-12,14,16,20-21H,13H2,1-4H3


name: Ergovaline
cas: 2873-38-3
chemspiderid: 94635
dtxsid: DTXSID10893243
formula: C29H35N5O5
inchikey: BGHDUTQZGWOQIA-VQSKNWBGSA-N
norman_susdat_id: NS00094895
pubchem_cid: 104843
inchi:
InChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1

smiles:
CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O


name: 4-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
cas: 287403-39-8
formula: C17H22N2O5S2
inchikey: CVZIHNYAZLXRRS-HNNXBMFYSA-N
norman_susdat_id: NS00069301
pubchem_cid: 5288615
smiles: CC#CCOc1ccc(S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc1
inchi:
InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1


name: Apratastat
cas: 287405-51-0
dtxsid: DTXSID10870312
formula: C17H22N2O6S2
inchikey: MAVDNGWEBZTACC-HNNXBMFYSA-N
norman_susdat_id: NS00071827
pubchem_cid: 11452716
smiles: CC1(C)SCCN(S(=O)(=O)c2ccc(OCC#CCO)cc2)[C@H]1C(=O)NO
inchi:
InChI=1S/C17H22N2O6S2/c1-17(2)15(16(21)18-22)19(9-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-10-20/h5-8,15,20,22H,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1


cas: 28749-63-5
formula: C28H31O7P.xNa
inchikey: LQKRLVLDBOCZSK-UHFFFAOYSA-M
norman_susdat_id: NS00083032
smiles: CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O[Na])cc4C
name:
4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolylphosphoric acid, sodium salt

inchi:
InChI=1/C28H31O7P.Na/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+1/p-1/rC28H30NaO7P/c1-15(2)20-13-23(17(5)11-25(20)30)28(22-10-8-7-9-19(22)27(31)34-28)24-14-21(16(3)4)26(12-18(24)6)35-37(32,33)36-29/h7-16,30H,1-6H3,(H,32,33)


name: Diisopropylnaphthalenesulphonic acid
cas: 28757-00-8
formula: C16H20O3S
inchikey: LWEAHXKXKDCSIE-UHFFFAOYSA-N
norman_susdat_id: NS00082215
smiles: CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)O
inchi:
InChI=1/C16H20O3S/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4/h5-11H,1-4H3,(H,17,18,19)


name: 4,4'-Methylenebis(N,N-diglycidylaniline)
cas: 28768-32-3
chemspiderid: 82703
dtxsid: DTXSID0042248
formula: C25H30N2O4
inchikey: FAUAZXVRLVIARB-UHFFFAOYSA-N
norman_susdat_id: NS00003034
pubchem_cid: 91593
smiles: C(C1CO1)N(CC1CO1)c1ccc(Cc2ccc(cc2)N(CC2CO2)CC2CO2)cc1
inchi:
InChI=1S/C25H30N2O4/c1-5-20(26(10-22-14-28-22)11-23-15-29-23)6-2-18(1)9-19-3-7-21(8-4-19)27(12-24-16-30-24)13-25-17-31-25/h1-8,22-25H,9-17H2


name: Rosuvastatin
cas: 287714-41-4
chemspiderid: 4943566
dtxsid: DTXSID8048492
formula: C22H28F1N3O6S1
inchikey: BPRHUIZQVSMCRT-YXWZHEERSA-N
norman_susdat_id: NS00000396
pubchem_cid: 6439133
smiles: c1(nc(N(S(=O)(=O)C)C)nc(c1C=C[C@@H](C[C@H](CC(O)=O)O)O)c1ccc(cc1)F)C(C)C
inchi:
InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1


name: Bromadiolone
cas: 28772-56-7
chebiid: CHEBI:81855
chemspiderid: 10606098
dtxsid: DTXSID9032589
formula: C30H23Br1O4
inchikey: OWNRRUFOJXFKCU-UHFFFAOYSA-N
norman_susdat_id: NS00000686
pubchem_cid: 54680085
smiles: C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(C5=CC=CC=C5OC4=O)O
inchi:
InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2


cas: 287734-01-4
formula: C16H10O7
norman_susdat_id: NS00101724
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(2-carboxybenzoyl)-.omega.-[(2-carboxybenzoyl)oxy]-, dipotassium salt


cas: 287734-10-5
formula: C18H32O6Si3
norman_susdat_id: NS00101705
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(2-carboxybenzoyl)-.omega.-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]-, potassium salt


name: Tris(tert-butylphenyl) phosphate
cas: 28777-70-0
dtxsid: DTXSID00951422
formula: C30H39O4P
inchikey: SPUXJWDKFVXXBI-UHFFFAOYSA-N
norman_susdat_id: NS00047503
pubchem_cid: 3034371
smiles: O=P(OC=1C=CC=CC1C(C)(C)C)(OC=2C=CC=CC2C(C)(C)C)OC=3C=CC=CC3C(C)(C)C
inchi:
InChI=1/C30H39O4P/c1-28(2,3)22-16-10-13-19-25(22)32-35(31,33-26-20-14-11-17-23(26)29(4,5)6)34-27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3


name: Dihydro-3-(octadecenyl)-2,5-furandione
cas: 28777-98-2
chemspiderid: 196295
dtxsid: DTXSID9027948
formula: C22H38O3
inchikey: UPIDLHWAQXLUSM-UHFFFAOYSA-N
norman_susdat_id: NS00019429
pubchem_cid: 120045
smiles: C=CCCCCCCCCCCCCCCCCC1CC(=O)OC1=O
inchi:
InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21(23)25-22(20)24/h2,20H,1,3-19H2/t20-/m0/s1


cas: 2878-00-4
dtxsid: DTXSID5062681
formula: C24H33N5O3S5
inchikey: CIGRFAIRUWLADG-UHFFFAOYSA-M
norman_susdat_id: NS00049378
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])CCCSC(=S)N(CCNC(=S)NCC=1C=CC=CC1)CCNC(=S)NCC=2C=CC=CC2
name:
Sodium 7-[2-[[(benzylamino)thioxomethyl]amino]ethyl]-1-phenyl-3,8-dithioxo-9-thia-2,4,7-triazadodecane-12-sulphonate

inchi:
InChI=1/C24H33N5O3S5.Na/c30-37(31,32)17-7-16-36-24(35)29(14-12-25-22(33)27-18-20-8-3-1-4-9-20)15-13-26-23(34)28-19-21-10-5-2-6-11-21;/h1-6,8-11H,7,12-19H2,(H2,25,27,33)(H2,26,28,34)(H,30,31,32);/q;+1/p-1


name: 7-Chloro-5-(1-chlorocyclohexyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one
cas: 28781-62-6
chemspiderid: 106921
dtxsid: DTXSID00182956
formula: C16H18Cl2N2O1
inchikey: VCBSSHVDTFGHBF-UHFFFAOYSA-N
norman_susdat_id: NS00028542
pubchem_cid: 119841
smiles: CN1c2c(cc(Cl)cc2)C(=NCC1=O)C1(Cl)CCCCC1
inchi:
InChI=1S/C16H18Cl2N2O/c1-20-13-6-5-11(17)9-12(13)15(19-10-14(20)21)16(18)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3


name: Difenoxin
cas: 28782-42-5
chebiid: CHEBI:4534
chemspiderid: 31620
dtxsid: DTXSID0022931
formula: C28H28N2O2
inchikey: UFIVBRCCIRTJTN-UHFFFAOYSA-N
norman_susdat_id: NS00010562
pubchem_cid: 25273607
smiles: C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4
inchi:
InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)


name: N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]glycine
cas: 28782-78-7
dtxsid: DTXSID20951424
formula: C10H18N2O5
inchikey: PBGVVLQMNSPMKN-LURJTMIESA-N
norman_susdat_id: NS00047500
pubchem_cid: 192414
smiles: O=C(OC(C)(C)C)NC(C(=O)NCC(=O)O)C
inchi:
InChI=1/C10H18N2O5/c1-6(8(15)11-5-7(13)14)12-9(16)17-10(2,3)4/h6H,5H2,1-4H3,(H,11,15)(H,12,16)(H,13,14)


name: Nordihydrocapsaicin
cas: 28789-35-7
chebiid: CHEBI:174101
chemspiderid: 147689
dtxsid: DTXSID3042217
formula: C17H27N1O3
inchikey: VQEONGKQWIFHMN-UHFFFAOYSA-N
norman_susdat_id: NS00021103
pubchem_cid: 168836
smiles: COC1=CC(CNC(=O)CCCCCC(C)C)=CC=C1O
inchi:
InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)


name: Theophylline, 8-benzyl-
cas: 2879-15-4
chemspiderid: 65807
dtxsid: DTXSID40182970
formula: C14H14N4O2
inchikey: SWKGFZTXWQMFLK-UHFFFAOYSA-N
norman_susdat_id: NS00020787
pubchem_cid: 73001
smiles: Cn1c2c([nH]c(Cc3ccccc3)n2)c(=O)n(C)c1=O
inchi:
InChI=1S/C14H14N4O2/c1-17-12-11(13(19)18(2)14(17)20)15-10(16-12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)


name: 11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
cas: 28797-48-0
chemspiderid: 6246
dtxsid: DTXSID00182976
formula: C14H10Cl1N3O2
inchikey: RMBZFWLMYVPNGI-UHFFFAOYSA-N
norman_susdat_id: NS00028548
pubchem_cid: 120053
smiles: ClCC(=O)n1c2c(cccc2)c(=O)[nH]c2cccnc12
inchi:
InChI=1S/C14H10ClN3O2/c15-8-12(19)18-11-6-2-1-4-9(11)14(20)17-10-5-3-7-16-13(10)18/h1-7H,8H2,(H,17,20)


name: Pirenzepine
cas: 28797-61-7
chebiid: CHEBI:8247
chemspiderid: 4682
dtxsid: DTXSID7023487
formula: C19H21N5O2
inchikey: RMHMFHUVIITRHF-UHFFFAOYSA-N
norman_susdat_id: NS00006691
pubchem_cid: 4848
smiles: CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
inchi:
InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)


name: 2,5'-Dichloro-2',4'-disulphamoylacetanilide
cas: 2880-40-2
chemspiderid: 68629
dtxsid: DTXSID30182989
formula: C8H9Cl2N3O5S2
inchikey: XEEYAFHGPWRLAG-UHFFFAOYSA-N
norman_susdat_id: NS00028552
pubchem_cid: 76145
smiles: NS(=O)(=O)c1cc(c(Cl)cc1NC(=O)CCl)S(=O)(=O)N
inchi:
InChI=1S/C8H9Cl2N3O5S2/c9-3-8(14)13-5-1-4(10)6(19(11,15)16)2-7(5)20(12,17)18/h1-2H,3H2,(H,13,14)(H2,11,15,16)(H2,12,17,18)


name: Butanedioic acid, diisodecyl ester
cas: 28801-70-9
chemspiderid: 107178
dtxsid: DTXSID1067415
formula: C24H46O4
inchikey: BQSLMFSQEBXZHN-UHFFFAOYSA-N
norman_susdat_id: NS00028550
pubchem_cid: 120055
smiles: CC(C)CCCCCCCOC(=O)CCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C24H46O4/c1-21(2)15-11-7-5-9-13-19-27-23(25)17-18-24(26)28-20-14-10-6-8-12-16-22(3)4/h21-22H,5-20H2,1-4H3


name: Tricyclohexylbenzene
cas: 28804-58-2
chemspiderid: 2283574
dtxsid: DTXSID80182994
formula: C24H36
inchikey: HSDRNVLRTNPRNS-UHFFFAOYSA-N
norman_susdat_id: NS00028553
pubchem_cid: 3015433
smiles: C1CCC(CC1)c1cccc(C2CCCCC2)c1C1CCCCC1
inchi:
InChI=1S/C24H36/c1-4-11-19(12-5-1)22-17-10-18-23(20-13-6-2-7-14-20)24(22)21-15-8-3-9-16-21/h10,17-21H,1-9,11-16H2


name: OCTENYL SUCCINIC ACID
cas: 28805-58-5
chemspiderid: 20482723
dtxsid: DTXSID0036471
formula: C12H20O4
inchikey: KCYQMQGPYWZZNJ-UHFFFAOYSA-N
norman_susdat_id: NS00019430
pubchem_cid: 20981722
smiles: [O-]C(=O)CC(CCCCCCC=C)C(=O)[O-]
inchi:
InChI=1S/C12H20O4/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14/h2,10H,1,3-9H2,(H,13,14)(H,15,16)/t10-/m1/s1


name: 5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
cas: 288102-94-3
chebiid: CHEBI:43179
dtxsid: DTXSID10274336
formula: C17H14N2O4
inchikey: RTBMLCLTYAPKIF-UHFFFAOYSA-N
norman_susdat_id: NS00069143
pubchem_cid: 1836
smiles: CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C17H14N2O4/c1-17(14(20)18-16(22)19-15(17)21)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,19,20,21,22)


name: Surinabant
cas: 288104-79-0
chebiid: CHEBI:125484
dtxsid: DTXSID2047357
formula: C23H23BrCl2N4O
inchikey: HMXDWDSNPRNUKI-UHFFFAOYSA-N
norman_susdat_id: NS00068643
pubchem_cid: 9849616
smiles: CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
inchi:
InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)


name: 1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol monohydrochloride
cas: 28813-39-0
formula: C14H20N2O2.ClH
inchikey: MAUPDHMFNIUWSK-UHFFFAOYSA-N
norman_susdat_id: NS00084241
smiles: Cl.CC(C)NCC(O)COc1cccc2[nH]ccc12
inchi:
InChI=1/C14H20N2O2.ClH/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13;/h3-7,10-11,15-17H,8-9H2,1-2H3;1H


name: N-Phenyl-N'-[2-(tridecafluorohexyl)phenyl]urea
cas: 288161-40-0
dtxsid: DTXSID60896209
formula: C19H11F13N2O
inchikey: PXRFFHCMLAVCDR-UHFFFAOYSA-N
norman_susdat_id: NS00111106
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccccc1NC(=O)Nc1ccccc1
inchi:
InChI=1S/C19H11F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)11-8-4-5-9-12(11)34-13(35)33-10-6-2-1-3-7-10/h1-9H,(H2,33,34,35)


cas: 28818-24-8
chemspiderid: 87465
dtxsid: DTXSID40183008
formula: C23H16Br4O4
inchikey: LLJOTVJDOVGQAD-UHFFFAOYSA-N
norman_susdat_id: NS00028554
pubchem_cid: 96870
smiles: CC(C)OC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(=C1)Br)c1cc(Br)c(O)c(Br)c1
name:
Isopropyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate

inchi:
InChI=1S/C23H16Br4O4/c1-11(2)31-23(30)15-6-4-3-5-14(15)20(12-7-16(24)21(28)17(25)8-12)13-9-18(26)22(29)19(27)10-13/h3-11,28H,1-2H3


name: (20S)-pregnane-3a,20-diol
cas: 28818-70-4
formula: C21H36O2
inchikey: YWYQTGBBEZQBGO-TUSLFBNQSA-N
norman_susdat_id: NS00085128
smiles: C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3


name: Ethanol, 2,2'-[(3-nitrophenyl)imino]bis-, diacetate (ester)
cas: 28819-89-8
chemspiderid: 107183
dtxsid: DTXSID6067416
formula: C14H18N2O6
inchikey: PMKZSNHGWMGRPQ-UHFFFAOYSA-N
norman_susdat_id: NS00028556
pubchem_cid: 120060
smiles: CC(=O)OCCN(CCOC(=O)C)c1cccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C14H18N2O6/c1-11(17)21-8-6-15(7-9-22-12(2)18)13-4-3-5-14(10-13)16(19)20/h3-5,10H,6-9H2,1-2H3


name: 3,6,9,12,15,18,21,24,27,30,33,36,39,42-Tetradecaoxatetratetracontane-1,44-diol (PEG-15)
cas: 28821-35-4
chemspiderid: 107185
dtxsid: DTXSID10183015
formula: C30H62O16
inchikey: OWTQQPNDSWCHOV-UHFFFAOYSA-N
norman_susdat_id: NS00001009
pubchem_cid: 120062
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C30H62O16/c31-1-3-33-5-7-35-9-11-37-13-15-39-17-19-41-21-23-43-25-27-45-29-30-46-28-26-44-24-22-42-20-18-40-16-14-38-12-10-36-8-6-34-4-2-32/h31-32H,1-30H2


name: Propanenitrile, 3-[[4-[(4,6-dibromo-2-benzothiazolyl)azo]phenyl]ethylamino]-
cas: 28824-41-1
chemspiderid: 107186
dtxsid: DTXSID6067418
formula: C18H15Br2N5S1
inchikey: QAGFZRDAAOJOTL-UHFFFAOYSA-N
norman_susdat_id: NS00028561
pubchem_cid: 120064
smiles: Brc1cc(Br)c2nc(sc2c1)N=Nc1ccc(CCNCCC#N)cc1
inchi:
InChI=1S/C18H15Br2N5S/c19-13-10-15(20)17-16(11-13)26-18(23-17)25-24-14-4-2-12(3-5-14)6-9-22-8-1-7-21/h2-5,10-11,22H,1,6,8-9H2/b25-24+


name: 2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate
cas: 28832-11-3
formula: C22H44N2O.C2H4O2
inchikey: KFLYRIQQUDKDNM-UHFFFAOYSA-N
norman_susdat_id: NS00084527
smiles: CCCCCCCCCCCCCCCCCC1=NCC[NH+]1CCO.CC(=O)[O-]
inchi:
InChI=1/C22H44N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h25H,2-21H2,1H3;1H3,(H,3,4)


name: Ammonium 8-anilinonaphthalene-1-sulphonate
cas: 28836-03-5
formula: C16H13NO3S.H3N
inchikey: IPBNQYLKHUNLQE-UHFFFAOYSA-N
norman_susdat_id: NS00084242
smiles: [NH4+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
inchi:
InChI=1/C16H13NO3S.H3N/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);1H3


name: Cediranib
cas: 288383-20-0
chebiid: CHEBI:94782
dtxsid: DTXSID10183035
formula: C25H27FN4O3
inchikey: XXJWYDDUDKYVKI-UHFFFAOYSA-N
norman_susdat_id: NS00069640
pubchem_cid: 9933475
smiles: COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
inchi:
InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3


name: N,N'-diallyltartramide
cas: 28843-34-7
formula: C10H16N2O4
inchikey: ZRKLEAHGBNDKHM-UHFFFAOYSA-N
norman_susdat_id: NS00051026
pubchem_cid: 98486
smiles: O=C(NCC=C)C(O)C(O)C(=O)NCC=C
inchi:
InChI=1/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)


name: octadecylbenzenesulphonic acid
cas: 28855-17-6
chemspiderid: 2283575
formula: C24H42O3S1
inchikey: AQQPJNOXVZFTGE-UHFFFAOYSA-N
norman_susdat_id: NS00002033
pubchem_cid: 3015434
smiles: CCCCCCCCCCCCCCCCCCc1ccccc1S(O)(=O)=O
inchi:
InChI=1S/C24H42O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27/h18-19,21-22H,2-17,20H2,1H3,(H,25,26,27)


name: (dodecylmethylbenzyl)trimethylammonium chloride
cas: 28855-27-8
dtxsid: DTXSID60872942
formula: C23H42N
inchikey: CAONSVXWYFOHDJ-UHFFFAOYSA-M
norman_susdat_id: NS00051082
pubchem_cid: 20831822
smiles: [Cl-].C=1C=CC(=C(C1)CCCCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C23H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2,3)4;/h16-17,19-20H,5-15,18,21H2,1-4H3;1H/q+1;/p-1


name: 1,2-diphenyl-1H-indole-3-ethylamine
cas: 28856-24-8
dtxsid: DTXSID60951483
formula: C22H20N2
inchikey: RUAJRKRPPGDWBK-UHFFFAOYSA-N
norman_susdat_id: NS00051070
pubchem_cid: 120067
smiles: NCCC=1C=2C=CC=CC2N(C=3C=CC=CC3)C1C=4C=CC=CC4
inchi:
InChI=1/C22H20N2/c23-16-15-20-19-13-7-8-14-21(19)24(18-11-5-2-6-12-18)22(20)17-9-3-1-4-10-17/h1-14H,15-16,23H2


name: 1,2-bis(benzyloxycarbonyl)ethylammonium toluene-p-sulphonate
cas: 2886-33-1
formula: C18H19NO4.C7H8O3S
inchikey: HLMUYZYLPUHSNV-UHFFFAOYSA-N
norman_susdat_id: NS00083628
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].[NH3+]C(CC(=O)OCc2ccccc2)C(=O)OCc3ccccc3
inchi:
InChI=1/C18H19NO4.C7H8O3S/c19-16(18(21)23-13-15-9-5-2-6-10-15)11-17(20)22-12-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,19H2;2-5H,1H3,(H,8,9,10)


name: Norfludiazepam
cas: 2886-65-9
chebiid: CHEBI:135197
chemspiderid: 4381
dtxsid: DTXSID30183057
formula: C15H10Cl1F1N2O1
inchikey: UVCOILFBWYKHHB-UHFFFAOYSA-N
norman_susdat_id: NS00010456
pubchem_cid: 4540
smiles: c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)F
inchi:
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)


name: Carbidopa
cas: 28860-95-9
chebiid: CHEBI:39585
chemspiderid: 31640
dtxsid: DTXSID4022735
formula: C10H14N2O4
inchikey: TZFNLOMSOLWIDK-JTQLQIEISA-N
norman_susdat_id: NS00005042
pubchem_cid: 34359
smiles: C[C@@](Cc1ccc(O)c(O)c1)(NN)C(O)=O
inchi:
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)/t10-/m0/s1


name: N-Carbamoyl-3-methoxy-O,alpha-dimethyl-L-tyrosine
cas: 28861-00-9
chemspiderid: 25070968
dtxsid: DTXSID10652913
formula: C13H18N2O5
inchikey: ZAWWRCDFZPMIQT-UHFFFAOYSA-N
norman_susdat_id: NS00009385
pubchem_cid: 44181848
smiles: COc1ccc(CC(C)(NC(N)=O)C(O)=O)cc1OC
inchi:
InChI=1S/C13H18N2O5/c1-13(11(16)17,15-12(14)18)7-8-4-5-9(19-2)10(6-8)20-3/h4-6H,7H2,1-3H3,(H,16,17)(H3,14,15,18)


name: Irosustat
cas: 288628-05-7
dtxsid: DTXSID50183059
formula: C14H15NO5S
inchikey: DSLPMJSGSBLWRE-UHFFFAOYSA-N
norman_susdat_id: NS00068646
pubchem_cid: 5287541
smiles: NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3
inchi:
InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)


name: 1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol N-oxide
cas: 28865-36-3
dtxsid: DTXSID00884802
formula: C20H43NO4
inchikey: OQFIKFNCZGUAHE-UHFFFAOYSA-N
norman_susdat_id: NS00051083
pubchem_cid: 120068
smiles: O=N(CCO)(CCO)CC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(25,15-17-22)16-18-23/h20,22-24H,2-19H2,1H3


name: (Z)-N-(3-aminopropyl)-N'-9-octadecenylpropane-1,3-diamine
cas: 28872-01-7
formula: C24H51N3
inchikey: ZXUXEWRICDHNKF-UHFFFAOYSA-N
norman_susdat_id: NS00051858
pubchem_cid: 120071
smiles: NCCCNCCCNCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25/h9-10,26-27H,2-8,11-25H2,1H3


name: (R)-1-[(phosphonooxy)methyl]ethylene dimyristate
cas: 28874-52-4
chebiid: CHEBI:84266
formula: C31H61O8P
inchikey: OZSITQMWYBNPMW-GDLZYMKVSA-N
norman_susdat_id: NS00084548
smiles: CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)


name: N,N-dibutyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine hydrochloride
cas: 28875-47-0
formula: C18H28N4O.xClH
inchikey: ZCEDBAQIHPGWNW-UHFFFAOYSA-N
norman_susdat_id: NS00084543
smiles: Cl.CCCCN(CCCC)CCNc1onc(n1)c2ccccc2
inchi:
InChI=1/C18H28N4O.ClH/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16;/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21);1H


name: Diphenyl isononyl phosphinate
cas: 28878-99-1
dtxsid: DTXSID30951511
formula: C21H29O3P
inchikey: TUGVGUUUPWVRJR-UHFFFAOYSA-N
norman_susdat_id: NS00051084
pubchem_cid: 120073
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)CCCCCCC(C)C
inchi:
InChI=1/C21H29O3P/c1-19(2)13-7-3-4-12-18-25(22,23-20-14-8-5-9-15-20)24-21-16-10-6-11-17-21/h5-6,8-11,14-17,19H,3-4,7,12-13,18H2,1-2H3


name: (E)-2-chloro-N-[4-chloro-2-[(hydroxyimino)phenylmethyl]phenyl]acetamide
cas: 2888-63-3
dtxsid: DTXSID70951515
formula: C15H12Cl2N2O2
inchikey: JGFXVLJITZQQDW-XDJHFCHBSA-N
norman_susdat_id: NS00049426
pubchem_cid: 5367158
smiles: O=C(NC1=CC=C(Cl)C=C1C(=NO)C=2C=CC=CC2)CCl
inchi:
InChI=1/C15H12Cl2N2O2/c16-9-14(20)18-13-7-6-11(17)8-12(13)15(19-21)10-4-2-1-3-5-10/h1-8,21H,9H2,(H,18,20)


name: Diazepam N-oxide
cas: 2888-64-4
chemspiderid: 65629
dtxsid: DTXSID30183077
formula: C16H13Cl1N2O2
inchikey: FPRDNGOSKVGXHA-UHFFFAOYSA-N
norman_susdat_id: NS00028572
pubchem_cid: 72793
smiles: CN1c2ccc(Cl)cc2C(=[N+]([O-])CC1=O)c1ccccc1
inchi:
InChI=1S/C16H13ClN2O2/c1-18-14-8-7-12(17)9-13(14)16(19(21)10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3


name: Butanedioic acid, diisooctyl ester
cas: 28880-24-2
chemspiderid: 107195
dtxsid: DTXSID0067420
formula: C20H38O4
inchikey: MQKXWEJVDDRQKK-UHFFFAOYSA-N
norman_susdat_id: NS00028568
pubchem_cid: 120074
smiles: CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C20H38O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3


name: Diisooctyl glutarate
cas: 28880-25-3
formula: C21H40O4
inchikey: SFNLXSGWZBPIIX-UHFFFAOYSA-N
norman_susdat_id: NS00050607
pubchem_cid: 120075
smiles: O=C(OCCCCCC(C)C)CCCC(=O)OCCCCCC(C)C
inchi:
InChI=1/C21H40O4/c1-18(2)12-7-5-9-16-24-20(22)14-11-15-21(23)25-17-10-6-8-13-19(3)4/h18-19H,5-17H2,1-4H3


cas: 28880-55-9
formula: C23H48NO2
norman_susdat_id: NS00101807
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[methyl-(9Z)-9-octadecenyliminio]di-2,1-ethanediyl]bis[.omega.-hydroxy-, chloride


name: GLYCERYL DIERUCATE
cas: 28880-79-7
chemspiderid: 4942706
formula: C47H88O5
inchikey: FZERQYTVWAKJPN-CLFAGFIQSA-N
norman_susdat_id: NS00013691
pubchem_cid: 6438216
smiles: CCCCCCCCC=C/CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45,48H,3-16,21-44H2,1-2H3/b19-17-,20-18-


cas: 28883-73-0
formula: C22H47NO2
norman_susdat_id: NS00101813
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(octadecylimino)di-2,1-ethanediyl]bis[.omega.-hydroxy-, hydrochloride


name: Oxi4503
cas: 288847-34-7
formula: C18H22O12P2
inchikey: GSOXMQLWUDQTNT-WAYWQWQTSA-N
norman_susdat_id: NS00069743
smiles: COc1cc(/C=Cc2ccc(OC)c(OP(=O)(O)O)c2OP(=O)(O)O)cc(OC)c1OC
inchi:
InChI=1S/C18H22O12P2/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24)/b6-5-


name: 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate
cas: 28886-07-9
chemspiderid: 2299537
dtxsid: DTXSID50183079
formula: C25H16N4O4
inchikey: OWQUXTJOSOUAFJ-UHFFFAOYSA-N
norman_susdat_id: NS00028571
pubchem_cid: 3035254
smiles: Cc1c(cc(N=C=O)c(c1)C(c1ccccc1)c1cc(C)c(cc1N=C=O)N=C=O)N=C=O
inchi:
InChI=1S/C25H16N4O4/c1-16-8-19(23(28-14-32)10-21(16)26-12-30)25(18-6-4-3-5-7-18)20-9-17(2)22(27-13-31)11-24(20)29-15-33/h3-11,25H,1-2H3


name: 1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one
cas: 288862-89-5
dtxsid: DTXSID50433602
formula: C24H34N2O2
inchikey: DBMKKVSGBYKSFI-UHFFFAOYSA-N
norman_susdat_id: NS00096657
smiles: CCCCCCCCC#CCCCCCCCC(=O)C1=NC2=C(O1)C=CC=N2
inchi:
InChI=1S/C24H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h17,19-20H,2-8,11-16,18H2,1H3


cas: 28888-79-1
formula: C45H36N6O9
inchikey: HIVSYBQYXIMMGH-UHFFFAOYSA-N
norman_susdat_id: NS00051102
pubchem_cid: NA
name:
Triphenyl [(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(6-methyl-3,1-phenylene)]tricarbamate

inchi:
InChI=1/C45H36N6O9/c1-28-19-22-31(25-37(28)46-40(52)58-34-13-7-4-8-14-34)49-43(55)50(32-23-20-29(2)38(26-32)47-41(53)59-35-15-9-5-10-16-35)45(57)51(44(49)56)33-24-21-30(3)39(27-33)48-42(54)60-36-17-11-6-12-18-36/h4-27H,1-3H3,(H,46,52)(H,47,53)(H,48,54)

smiles:
O=C(OC=1C=CC=CC1)NC2=CC(=CC=C2C)N3C(=O)N(C(=O)N(C3=O)C4=CC=C(C(=C4)NC(=O)OC=5C=CC=CC5)C)C6=CC=C(C(=C6)NC(=O)OC=7C=CC=CC7)C


name: 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-hexadecachloro-29H,31H-phthalocyanine
cas: 28888-81-5
dtxsid: DTXSID60183080
formula: C32Cl16N8
inchikey: TZQMPWKLVAYIFR-UHFFFAOYSA-N
norman_susdat_id: NS00051103
pubchem_cid: NA
inchi:
InChI=1/C32Cl16N8/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38

smiles:
ClC=1C(Cl)=C(Cl)C=2C3=NC(=NC4=NC(=NC5=NC(=NC6=NC(=N3)C=7C(Cl)=C(Cl)C(Cl)=C(Cl)C67)C=8C(Cl)=C(Cl)C(Cl)=C(Cl)C58)C9=C(Cl)C(Cl)=C(Cl)C(Cl)=C49)C2C1Cl


name: 1a,2a-epoxycholesta-4,6-dien-3-one
cas: 28893-44-9
dtxsid: DTXSID80951526
formula: C27H40O2
inchikey: HOSZMOQCLZCHTD-MOXRGVOBSA-N
norman_susdat_id: NS00050609
pubchem_cid: 13911108
smiles: O=C1C=C2C=CC3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)C5OC15
inchi:
InChI=1/C27H40O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(28)24-25(29-24)27(18,5)22(19)13-14-26(20,21)4/h9-10,15-17,19-22,24-25H,6-8,11-14H2,1-5H3


cas: 28894-60-2
dtxsid: DTXSID40951527
formula: C18H19N3O7S
inchikey: FALSWZNHFGSOHY-UHFFFAOYSA-N
norman_susdat_id: NS00051859
pubchem_cid: NA
smiles: O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(N)C3=CC=C(O)C=C3
name:
[6R-[6a,7ß(R*)]]-3-(acetoxymethyl)-7-[amino(4-hydroxyphenyl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C18H19N3O7S/c1-8(22)28-6-10-7-29-17-13(16(25)21(17)14(10)18(26)27)20-15(24)12(19)9-2-4-11(23)5-3-9/h2-5,12-13,17,23H,6-7,19H2,1H3,(H,20,24)(H,26,27)


name: Asebotoxin III
cas: 28894-73-7
chemspiderid: 90470825
formula: C23H36O8
inchikey: PTPFNNBWQYPEKV-QYFROXPUSA-N
norman_susdat_id: NS00093909
pubchem_cid: 57260397
smiles:
CC(C(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@@]4([C@H]([C@@]3(C)O)[C@H]5[C@@H](C4(C)C)O5)O)O)C[C@@]2(C)O)O


name: 3-(octadecylamino)propane-1,2-diol
cas: 28900-95-0
dtxsid: DTXSID30951531
formula: C21H45NO2
inchikey: ULIKETKXKSFNTL-UHFFFAOYSA-N
norman_susdat_id: NS00051104
pubchem_cid: 120088
smiles: OCC(O)CNCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21(24)20-23/h21-24H,2-20H2,1H3


name: 4-[[3-chloro-4-[(p-hydroxyphenyl)azo]phenyl]azo]-m-cresol
cas: 28901-00-0
formula: C19H15ClN4O2
inchikey: SDEJJISBNQTXST-UHFFFAOYSA-N
norman_susdat_id: NS00051860
pubchem_cid: 120089
smiles: ClC1=CC(N=NC2=CC=C(O)C=C2C)=CC=C1N=NC3=CC=C(O)C=C3
inchi:
InChI=1/C19H15ClN4O2/c1-12-10-16(26)7-9-18(12)23-22-14-4-8-19(17(20)11-14)24-21-13-2-5-15(25)6-3-13/h2-11,25-26H,1H3


name: Butyl dihydrogen benzene-1,2,4-tricarboxylate
cas: 28904-29-2
dtxsid: DTXSID80884805
formula: C13H14O6
inchikey: GCDUOFOLOZOBSV-UHFFFAOYSA-N
norman_susdat_id: NS00051092
pubchem_cid: 120091
smiles: O=C(O)C1=CC=C(C(=O)OCCCC)C(=C1)C(=O)O
inchi:
InChI=1/C13H14O6/c1-2-3-6-19-13(18)9-5-4-8(11(14)15)7-10(9)12(16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H,16,17)


name: Sorbitan, didodecanoate
cas: 28905-44-4
dtxsid: DTXSID50951538
formula: C30H56O7
inchikey: DMCPZDAVVMKAJS-UHFFFAOYSA-N
norman_susdat_id: NS00051093
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCCCC)C1OCC(O)C1O)CCCCCCCCCCC
inchi:
InChI=1/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-27(32)35-24-26(30-29(34)25(31)23-36-30)37-28(33)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-31,34H,3-24H2,1-2H3


name: Sodium 7-(4-aminoanilino)-4-hydroxynaphthalene-2-sulphonate
cas: 28907-86-0
dtxsid: DTXSID20183107
formula: C16H14N2O4S
inchikey: SZUCWICPXQIRGV-UHFFFAOYSA-M
norman_susdat_id: NS00051094
pubchem_cid: 117154
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C=CC(=CC2=C1)NC3=CC=C(N)C=C3
inchi:
InChI=1/C16H14N2O4S.Na/c17-11-1-3-12(4-2-11)18-13-5-6-15-10(7-13)8-14(9-16(15)19)23(20,21)22;/h1-9,18-19H,17H2,(H,20,21,22);/q;+1/p-1


name: Nitrazolam
cas: 28910-99-8
chemspiderid: 15387105
formula: C17H13N5O2
inchikey: OYRPNABWTHDOFK-UHFFFAOYSA-N
norman_susdat_id: NS00101015
pubchem_cid: 20317278
smiles: Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)[N+](=O)[O-]
inchi:
InChI=1S/C17H13N5O2/c1-11-19-20-16-10-18-17(12-5-3-2-4-6-12)14-9-13(22(23)24)7-8-15(14)21(11)16/h2-9H,10H2,1H3


name: Triazolam
cas: 28911-01-5
chebiid: CHEBI:9674
chemspiderid: 5355
dtxsid: DTXSID6046763
formula: C17H12Cl2N4
inchikey: JOFWLTCLBGQGBO-UHFFFAOYSA-N
norman_susdat_id: NS00010468
pubchem_cid: 5556
smiles: Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4Cl)Cl
inchi:
InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3


name: 3,5-Bis(phenylmethoxy)benzoic acid
cas: 28917-43-3
chemspiderid: 89717
dtxsid: DTXSID70183112
formula: C21H18O4
inchikey: DHQIBPUGSWVDOH-UHFFFAOYSA-N
norman_susdat_id: NS00028577
pubchem_cid: 99307
smiles: OC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
inchi:
InChI=1S/C21H18O4/c22-21(23)18-11-19(24-14-16-7-3-1-4-8-16)13-20(12-18)25-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,22,23)


name: 1-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethan-1-one
cas: 28924-18-7
chemspiderid: 107214
dtxsid: DTXSID60183126
formula: C22H19Br1O3
inchikey: JIQMOQSQAVBFLO-UHFFFAOYSA-N
norman_susdat_id: NS00028579
pubchem_cid: 120097
smiles: BrCC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
inchi:
InChI=1S/C22H19BrO3/c23-14-22(24)19-11-20(25-15-17-7-3-1-4-8-17)13-21(12-19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2


name: Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-
cas: 28924-21-2
chemspiderid: 107215
dtxsid: DTXSID0067424
formula: C22H20O3
inchikey: KOJXGMJOTRYLBD-UHFFFAOYSA-N
norman_susdat_id: NS00019804
pubchem_cid: 120098
smiles: CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
inchi:
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3


cas: 2893-80-3
dtxsid: DTXSID0062688
formula: C31H22N6O8S
inchikey: BNANBFLJWROFPW-UHFFFAOYSA-L
norman_susdat_id: NS00049517
pubchem_cid: 135423193
name:
Disodium 5-[[4'-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H22N6O8S.2Na/c38-27-15-11-23(17-25(27)31(41)42)35-32-20-5-1-18(2-6-20)19-3-7-21(8-4-19)33-36-26-14-16-28(39)29(30(26)40)37-34-22-9-12-24(13-10-22)46(43,44)45;;/h1-17,38-40H,(H,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=CC=C(O)C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])=C4O)C=C3)=CC=C1O


cas: 28931-67-1
norman_susdat_id: NS00112970
name:
2-METHYL-2-PROPENOIC ACID, 2-ETHYL-2-(((2-METHYL-1-OXO-2-PROPENYL)OXY)METHYL)-1,3-PROPANEDIYL ESTER, POLYMER WITH METHYL 2-METHYLPROPENOATE


name: Delorazepam
cas: 2894-67-9
chebiid: CHEBI:135295
chemspiderid: 16929
dtxsid: DTXSID70183137
formula: C15H10Cl2N2O1
inchikey: CHIFCDOIPRCHCF-UHFFFAOYSA-N
norman_susdat_id: NS00004525
pubchem_cid: 17925
smiles: Clc1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
inchi:
InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)


name: 1-Hexadecanamine, N,N-dihexadecyl-
cas: 28947-77-5
chemspiderid: 107219
dtxsid: DTXSID0029345
formula: C48H99N1
inchikey: LYYLWJOKAQADDU-UHFFFAOYSA-N
norman_susdat_id: NS00028584
pubchem_cid: 120102
smiles: CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C48H99N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3


name: E 7820
cas: 289483-69-8
dtxsid: DTXSID20183142
formula: C17H12N4O2S
inchikey: LWGUASZLXHYWIV-UHFFFAOYSA-N
norman_susdat_id: NS00068143
smiles: Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C#N)c12
inchi:
InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3


name: Didodecyl peroxide
cas: 2895-03-6
dtxsid: DTXSID40183144
formula: C24H50O2
inchikey: LGJCFVYMIJLQJO-UHFFFAOYSA-N
norman_susdat_id: NS00048148
pubchem_cid: 76169
smiles: O(OCCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C24H50O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


cas: 28950-61-0
inchikey: UOLRZRKZXIOJRT-UHFFFAOYSA-J
norman_susdat_id: NS00078266
name:
tetrasodium 4,4'-bis[[4-morpholino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(cc6)S([O-])(=O)=O)nc(n5)N5CCOCC5)cc4S([O-])(=O)=O)c(c3)S([O-])(=O)=O)nc(n2)N2CCOCC2)cc1


cas: 28950-63-2
formula: C44H36N12O18S6
inchikey: MLTSEYBWAHDHGZ-SSXBCGQJSA-H
norman_susdat_id: NS00051161
pubchem_cid: NA
name:
Hexasodium 4,4'-bis[[4,6-bis(m-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C44H36N12O18S6.6Na/c57-75(58,59)33-9-1-5-27(19-33)45-39-51-40(46-28-6-2-10-34(20-28)76(60,61)62)54-43(53-39)49-31-17-15-25(37(23-31)79(69,70)71)13-14-26-16-18-32(24-38(26)80(72,73)74)50-44-55-41(47-29-7-3-11-35(21-29)77(63,64)65)52-42(56-44)48-30-8-4-12-36(22-30)78(66,67)68;;;;;;/h1-24H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC=2N=C(N=C(N2)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC=5N=C(N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)[O-])NC7=CC=CC(=C7)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])NC8=CC=CC(=C8)S(=O)(=O)[O-]


name: Disodium 4,4'-bis[(4-chloro-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 28950-66-5
formula: C28H28Cl2N10O8S2
inchikey: AOJDMXXNCHEOEF-SEPHDYHBSA-L
norman_susdat_id: NS00051914
pubchem_cid: 21481966
inchi:
InChI=1/C28H28Cl2N10O8S2.2Na/c29-23-33-25(37-27(35-23)39-7-11-47-12-8-39)31-19-5-3-17(21(15-19)49(41,42)43)1-2-18-4-6-20(16-22(18)50(44,45)46)32-26-34-24(30)36-28(38-26)40-9-13-48-14-10-40;;/h1-6,15-16H,7-14H2,(H,41,42,43)(H,44,45,46)(H,31,33,35,37)(H,32,34,36,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)N4CCOCC4)NC5=NC(Cl)=NC(=N5)N6CCOCC6


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 17-benzoate
cas: 28956-89-0
dtxsid: DTXSID10951574
formula: C28H34O6
inchikey: LPEYMYDYPGRLBU-YGZHYJPASA-N
norman_susdat_id: NS00051162
pubchem_cid: 119845
smiles: O=C(OC1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C=5C=CC=CC5
inchi:
InChI=1/C28H34O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,14,20-22,24,29,31H,8-13,15-16H2,1-2H3


cas: 2896-91-5
dtxsid: DTXSID80183168
formula: C21H28N2O2
inchikey: JFLTVMWSBAMWAW-UTKZUKDTSA-N
norman_susdat_id: NS00094799
pubchem_cid: 12444819
smiles: CC[C@@]12CCCN(C1)CCC1=C(NC3=CC=CC=C13)[C@@H](C2)C(=O)OC
name:
2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, methyl ester, (7S-(7R*,9S*))-

inchi:
InChI=1S/C21H28N2O2/c1-3-21-10-6-11-23(14-21)12-9-16-15-7-4-5-8-18(15)22-19(16)17(13-21)20(24)25-2/h4-5,7-8,17,22H,3,6,9-14H2,1-2H3/t17-,21+/m1/s1


name: N-(2-benzoyl-4-chlorophenyl)cyclopropanecarboxamide
cas: 2896-97-1
chemspiderid: 1736907
formula: C17H14Cl1N1O2
inchikey: ASZNGVSVGBZFFG-UHFFFAOYSA-N
norman_susdat_id: NS00005201
pubchem_cid: 2324592
smiles: Clc1ccc(NC(=O)C2CC2)c(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C17H14ClNO2/c18-13-8-9-15(19-17(21)12-6-7-12)14(10-13)16(20)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H,19,21)


name: Benzhydrol, 5-chloro-2-[(cyclopropylmethyl)amino]-
cas: 2896-99-3
chemspiderid: 23350693
formula: C17H18Cl1N1O1
inchikey: UBFGPBAYWABTDN-UHFFFAOYSA-N
norman_susdat_id: NS00008909
pubchem_cid: 112475381
smiles: OC(c1ccccc1)c1cc(Cl)ccc1NCC1CC1
inchi:
InChI=1S/C17H18ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,17,19-20H,6-7,11H2


cas: 28961-43-5
dtxsid: DTXSID3027950
norman_susdat_id: NS00075840
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[(1-oxo-2-propen-1-yl)oxy]-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)


name: Senicapoc
cas: 289656-45-7
dtxsid: DTXSID60276906
formula: C20H15F2NO
inchikey: SCTZUZTYRMOMKT-UHFFFAOYSA-N
norman_susdat_id: NS00069288
pubchem_cid: 216327
smiles: NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
inchi:
InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)


name: Argadin
cas: 289665-92-5
dtxsid: DTXSID40332296
formula: C29H42N10O9
inchikey: FOZYKTUSOWWQGR-KNPYFFGGSA-N
norman_susdat_id: NS00071705
pubchem_cid: 449123
inchi:
InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1

smiles:
CC(=O)/N=C(/N)NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)N2C(=O)[C@H](C[C@H]2O)NC(=O)[C@H]2CCCN2C1=O


name: {5-Chloro-2-[(cyclopropylmethyl)amino]phenyl}(phenyl)methanone
cas: 2897-00-9
chemspiderid: 458988
dtxsid: DTXSID40335707
formula: C17H16Cl1N1O1
inchikey: WCRKZICZCPHVAB-UHFFFAOYSA-N
norman_susdat_id: NS00002170
pubchem_cid: 526490
smiles: Clc1ccc(NCC2CC2)c(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C17H16ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,19H,6-7,11H2


name: N-(2-Benzoyl-4-chlorophenyl)-N-(cyclopropylmethyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide
cas: 2897-01-0
chemspiderid: 21159736
dtxsid: DTXSID10183171
formula: C27H21Cl1N2O4
inchikey: XZPWMJHFZHMTAE-UHFFFAOYSA-N
norman_susdat_id: NS00028589
pubchem_cid: 44146998
smiles: Clc1cc(C(=O)c2ccccc2)c(cc1)N(CC1CC1)C(=O)CN1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C27H21ClN2O4/c28-19-12-13-23(22(14-19)25(32)18-6-2-1-3-7-18)29(15-17-10-11-17)24(31)16-30-26(33)20-8-4-5-9-21(20)27(30)34/h1-9,12-14,17H,10-11,15-16H2


cas: 28972-21-6
formula: C21H24N2O2.xClH
inchikey: BBASQSWPQOKOQI-OBEKMTESSA-N
norman_susdat_id: NS00084600
smiles: Cl.CC[C@@]12CC(=C3Nc4ccccc4[C@]35CCN(CC=C1)[C@@H]25)C(=O)OC
name:
Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, hydrochloride, (5a,12ß,19a)-

inchi:
InChI=1/C21H24N2O2.ClH/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2;/h4-9,19,22H,3,10-13H2,1-2H3;1H


name: Ytterbium tribromate
cas: 28972-23-8
formula: BrHO3.1/3Yb
inchikey: VDDHCRUBEMSBSW-UHFFFAOYSA-K
norman_susdat_id: NS00084325
smiles: [Yb+2].[O-]Br(=O)=O.[O-]Br(=O)=O.[O-]Br(=O)=O
inchi:
InChI=1/3BrHO3.Yb.2H/c3*2-1(3)4;;;/h3*(H,2,3,4);;;/q;;;+2;;/p-3/r3BrHO3.H2Yb/c3*2-1(3)4;/h3*(H,2,3,4);1H2/q;;;+2/p-3


name: (9a,13a,14a)-3-methoxymorphinan-17-carbaldehyde
cas: 28973-48-0
dtxsid: DTXSID00951588
formula: C18H23NO2
inchikey: FZNYYMPPLIJMRC-KBAYOESNSA-N
norman_susdat_id: NS00050694
pubchem_cid: 56842244
smiles: O=CN1CCC23C4=CC(OC)=CC=C4CC1C3CCCC2
inchi:
InChI=1/C18H23NO2/c1-21-14-6-5-13-10-17-15-4-2-3-7-18(15,16(13)11-14)8-9-19(17)12-20/h5-6,11-12,15,17H,2-4,7-10H2,1H3


name: 23,24-Dihydrocucurbitacin E
cas: 28973-67-3
chebiid: CHEBI:62228
chemspiderid: 21577087
formula: C32H46O8
inchikey: XZBVNQWNPRMHRH-LAMASETHSA-N
norman_susdat_id: NS00094071
pubchem_cid: 10187338
smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)C)O)O


name: Pectolinarin
cas: 28978-02-1
chebiid: CHEBI:156327
chemspiderid: 147700
formula: C29H34O15
inchikey: DUXQKCCELUKXOE-CBBZIXHGSA-N
norman_susdat_id: NS00015841
pubchem_cid: 168849
smiles: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O
inchi:
InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1


name: 2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
cas: 2898-84-2
dtxsid: DTXSID70883903
formula: C17H14N4O3
inchikey: JHMOLDMNRXZOMQ-UHFFFAOYSA-N
norman_susdat_id: NS00048205
pubchem_cid: 102900
smiles: O=C(O)C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C=3C=CC=CC3
inchi:
InChI=1/C17H14N4O3/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,15H,1H3,(H,23,24)


name: Antimony arsenate
cas: 28980-47-4
formula: AsO4Sb
inchikey: OXNIMFDWZBJONY-UHFFFAOYSA-K
norman_susdat_id: NS00084601
smiles: [SbH3+3].[O-][As](=O)([O-])[O-]
inchi:
InChI=1/AsH3O4.Sb.3H/c2-1(3,4)5;;;;/h(H3,2,3,4,5);;;;/q;+3;;;/p-3/rAsH3O4.H3Sb/c2-1(3,4)5;/h(H3,2,3,4,5);1H3/q;+3/p-3


name: Alprazolam
cas: 28981-97-7
chebiid: CHEBI:2611
chemspiderid: 2034
dtxsid: DTXSID4022577
formula: C17H13Cl1N4
inchikey: VREFGVBLTWBCJP-UHFFFAOYSA-N
norman_susdat_id: NS00010452
pubchem_cid: 2118
smiles: Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
inchi:
InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3


cas: 28983-56-4
dtxsid: DTXSID90889705
formula: C37H29N3O9S3
inchikey: TUHAIJABPUJAEY-UHFFFAOYSA-K
norman_susdat_id: NS00050695
pubchem_cid: NA
name:
Disodium [[4-[bis[4-[(sulphonatophenyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]amino]benzenesulphonate

inchi:
InChI=1/C37H29N3O9S3.2Na/c41-50(42,43)34-10-4-1-7-31(34)38-28-19-13-25(14-20-28)37(26-15-21-29(22-16-26)39-32-8-2-5-11-35(32)51(44,45)46)27-17-23-30(24-18-27)40-33-9-3-6-12-36(33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-3

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1N=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC=4C=CC=CC4S(=O)(=O)[O-])C5=CC=C(C=C5)NC=6C=CC=CC6S(=O)(=O)[O-]


name: 2-(Heptadecenyl)-2-oxazoline-4,4-dimethanol
cas: 28984-69-2
chemspiderid: 14641486
formula: C22H41N1O3
inchikey: XOIFQOFMUVENJH-UHFFFAOYSA-N
norman_susdat_id: NS00019561
pubchem_cid: 54479986
smiles: CCCCCCCCCCCCCCCC=CC1=NC(CO)(CO)CO1
inchi:
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h16-17,24-25H,2-15,18-20H2,1H3/b17-16+


name: Bis(dodecylphenyl) disulphide
cas: 28986-55-2
dtxsid: DTXSID80951602
formula: C36H58S2
inchikey: AMXRGFIIUOZHFO-UHFFFAOYSA-N
norman_susdat_id: NS00051918
pubchem_cid: 21119931
smiles: S(SC=1C=CC=CC1CCCCCCCCCCCC)C=2C=CC=CC2CCCCCCCCCCCC
inchi:
InChI=1/C36H58S2/c1-3-5-7-9-11-13-15-17-19-21-27-33-29-23-25-31-35(33)37-38-36-32-26-24-30-34(36)28-22-20-18-16-14-12-10-8-6-4-2/h23-26,29-32H,3-22,27-28H2,1-2H3


name: Barium bis(nonylphenolate)
cas: 28987-17-9
formula: C15H24O.1/2Ba
inchikey: SBMJKCDBJMFHGS-UHFFFAOYSA-L
norman_susdat_id: NS00084326
smiles: [Ba+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C15H24O.Ba/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2


name: 3-[chloro({[2-hydroxy-3-(piperidin-1-yl)propoxy]imino})methyl]pyridin-1-ium-1-olate
cas: 289893-25-0
dtxsid: DTXSID30861525
formula: C14H20ClN3O3
inchikey: SGEIEGAXKLMUIZ-CYBMUJFWSA-N
norman_susdat_id: NS00073648
pubchem_cid: 208924
smiles: [O-][n+]1cccc(C(Cl)=NOC[C@H](O)CN2CCCCC2)c1
inchi:
InChI=1S/C14H20ClN3O3/c15-14(12-5-4-8-18(20)9-12)16-21-11-13(19)10-17-6-2-1-3-7-17/h4-5,8-9,13,19H,1-3,6-7,10-11H2/t13-/m1/s1


name: Ethyl L-tryptophanate monohydrochloride
cas: 2899-28-7
formula: C13H16N2O2.ClH
inchikey: PESYCVVSLYSXAK-MERQFXBCSA-N
norman_susdat_id: NS00083049
smiles: Cl.CCOC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
inchi:
InChI=1/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H


name: Succinimido (((benzyloxy)carbonyl)amino)acetate
cas: 2899-60-7
chemspiderid: 68661
dtxsid: DTXSID00183185
formula: C14H14N2O6
inchikey: WSCWXNZWFZXKEH-UHFFFAOYSA-N
norman_susdat_id: NS00028595
pubchem_cid: 76177
smiles: O=C(CNC(=O)OCc1ccccc1)ON1C(=O)CCC1=O
inchi:
InChI=1S/C14H14N2O6/c17-11-6-7-12(18)16(11)22-13(19)8-15-14(20)21-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,20)


name: Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-
cas: 2899-94-7
dtxsid: DTXSID80951607
formula: C21H28O5
inchikey: UMAIDVARGWSZLM-BNHZJTPYSA-N
norman_susdat_id: NS00096926
smiles: C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CCC4=CC(=O)C=C[C@]34C
inchi:
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,17-18,22,25-26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17?,18+,19-,20-,21-/m0/s1


name: Perchlorophenyl 5-oxo-L-prolinate
cas: 28990-85-4
chemspiderid: 107230
dtxsid: DTXSID60183186
formula: C11H6Cl5N1O3
inchikey: ZKGMBAZWQLUSMW-VKHMYHEASA-N
norman_susdat_id: NS00028593
pubchem_cid: 3035255
smiles: Clc1c(Cl)c(Cl)c(OC(=O)[C@@H]2CCC(=O)N2)c(Cl)c1Cl
inchi:
InChI=1S/C11H6Cl5NO3/c12-5-6(13)8(15)10(9(16)7(5)14)20-11(19)3-1-2-4(18)17-3/h3H,1-2H2,(H,17,18)/t3-/m0/s1


name: N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide
cas: 28997-31-1
chemspiderid: 107231
dtxsid: DTXSID20183187
formula: C14H12N4O4
inchikey: JIYZWSLKPBBNTE-UHFFFAOYSA-N
norman_susdat_id: NS00028596
pubchem_cid: 120116
smiles: Cc1ncc(n1CCN1C(=O)c2c(cccc2)C1=O)[N+](=O)[O-]
inchi:
InChI=1S/C14H12N4O4/c1-9-15-8-12(18(21)22)16(9)6-7-17-13(19)10-4-2-3-5-11(10)14(17)20/h2-5,8H,6-7H2,1H3


name: Methyldioctadecylsulphonium methyl sulphate
cas: 28997-77-5
dtxsid: DTXSID80183188
formula: C37H77S
inchikey: YATGAWSIOSIDAB-UHFFFAOYSA-M
norman_susdat_id: NS00051934
pubchem_cid: 3015443
smiles: O=S(=O)([O-])OC.[S+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H77S.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Methyl (3ß,16ß,17a,18ß,20a)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate
cas: 2901-66-8
chebiid: CHEBI:141924
dtxsid: DTXSID60951620
formula: C23H30N2O5
inchikey: MDJQWFFIUHUJSB-UQVJXISSSA-N
norman_susdat_id: NS00048933
pubchem_cid: 73532
smiles: O=C(OC)C1C(OC)C(O)CC2CN3CCC=4C=5C=CC(OC)=CC5NC4C3CC12
inchi:
InChI=1/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3


name: N-Acetyl-L-phenylalanine
cas: 2901-75-9
chebiid: CHEBI:16259
chemspiderid: 1923
formula: C11H13N1O3
inchikey: CBQJSKKFNMDLON-JTQLQIEISA-N
norman_susdat_id: NS00014789
pubchem_cid: 74839
smiles: O=C(O)C(NC(=O)C)Cc1ccccc1
inchi:
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1


name: Trimethyladipic anhydride
cas: 29011-65-2
dtxsid: DTXSID80951622
formula: C18H30O7
inchikey: GPTAHQHEAYOHBF-UHFFFAOYSA-N
norman_susdat_id: NS00051163
pubchem_cid: 21149416
smiles: O=C(O)CCC(C)C(C(=O)OC(=O)C(C)(C)C(C)CCC(=O)O)(C)C
inchi:
InChI=1/C18H30O7/c1-11(7-9-13(19)20)17(3,4)15(23)25-16(24)18(5,6)12(2)8-10-14(21)22/h11-12H,7-10H2,1-6H3,(H,19,20)(H,21,22)


name: N-(9H-(fluoren-9-ylmethoxy)carbonyl)glycine
cas: 29022-11-5
chemspiderid: 84070
dtxsid: DTXSID60183262
formula: C17H15N1O4
inchikey: NDKDFTQNXLHCGO-UHFFFAOYSA-N
norman_susdat_id: NS00021104
pubchem_cid: 93124
smiles: OC(=O)CNC(=O)OCC1c2c(cccc2)c2c1cccc2
inchi:
InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)


name: Butropium bromide
cas: 29025-14-7
chebiid: CHEBI:31327
dtxsid: DTXSID1022716
formula: C28H38NO4
inchikey: JABDOYKGZCPHPX-XSCYYCMVSA-M
norman_susdat_id: NS00050735
pubchem_cid: 2488
smiles: [Br-].O=C(OC1CC2CCC(C1)[N+]2(C)CC3=CC=C(OCCCC)C=C3)C(C=4C=CC=CC4)CO
inchi:
InChI=1/C28H38NO4.BrH/c1-3-4-16-32-25-14-10-21(11-15-25)19-29(2)23-12-13-24(29)18-26(17-23)33-28(31)27(20-30)22-8-6-5-7-9-22;/h5-11,14-15,23-24,26-27,30H,3-4,12-13,16-20H2,1-2H3;1H/q+1;/p-1


name: Netupitant
cas: 290297-26-6
chebiid: CHEBI:85155
chemspiderid: 4953629
dtxsid: DTXSID50183271
formula: C30H32F6N4O1
inchikey: WAXQNWCZJDTGBU-UHFFFAOYSA-N
norman_susdat_id: NS00040679
pubchem_cid: 6451149
smiles: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccccc1C)N1CCN(C)CC1
inchi:
InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3


name: Ethyl pentacosanoate
cas: 29030-80-6
chemspiderid: 2283589
dtxsid: DTXSID90183275
formula: C27H54O2
inchikey: HZLJOMXKSSFKNU-UHFFFAOYSA-N
norman_susdat_id: NS00028603
pubchem_cid: 3015448
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
inchi:
InChI=1S/C27H54O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-4-2/h3-26H2,1-2H3


name: CP-634384
cas: 290352-28-2
chemspiderid: 7995099
dtxsid: DTXSID7047306
formula: C19H19N1O5
inchikey: CEYPDXWCYTVSDN-UHFFFAOYSA-N
norman_susdat_id: NS00015617
pubchem_cid: 9819350
smiles: CC1=CC(=CC(=C1OC2=C3CCCC3=C(C=C2)O)C)NC(=O)C(=O)O
inchi:
InChI=1S/C19H19NO5/c1-10-8-12(20-18(22)19(23)24)9-11(2)17(10)25-16-7-6-15(21)13-4-3-5-14(13)16/h6-9,21H,3-5H2,1-2H3,(H,20,22)(H,23,24)


name: (1-propanyl-3-ylidene)triphenol
cas: 29036-21-3
dtxsid: DTXSID70951636
formula: C21H20O3
inchikey: CQOZJDNCADWEKH-UHFFFAOYSA-N
norman_susdat_id: NS00050914
pubchem_cid: 168856
smiles: OC=1C=CC=CC1CCC(C=2C=CC=CC2O)C=3C=CC=CC3O
inchi:
InChI=1/C21H20O3/c22-19-10-4-1-7-15(19)13-14-16(17-8-2-5-11-20(17)23)18-9-3-6-12-21(18)24/h1-12,16,22-24H,13-14H2


name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-chloro-o-tolyl)azo]-3-oxobutyramide
cas: 2904-04-3
dtxsid: DTXSID20863053
formula: C19H19Cl2N3O4
inchikey: NEPSDTXFAQMVCI-UHFFFAOYSA-N
norman_susdat_id: NS00049580
pubchem_cid: 76183
smiles: O=C(NC1=CC(OC)=C(Cl)C=C1OC)C(N=NC2=CC=C(Cl)C=C2C)C(=O)C
inchi:
InChI=1/C19H19Cl2N3O4/c1-10-7-12(20)5-6-14(10)23-24-18(11(2)25)19(26)22-15-9-16(27-3)13(21)8-17(15)28-4/h5-9,18H,1-4H3,(H,22,26)


name: 3,3',3''-(trioxo-1,3,5-triazinetriyl)tri(propionic acid)
cas: 2904-41-8
dtxsid: DTXSID5074343
formula: C12H15N3O9
inchikey: HENCHDCLZDQGIQ-UHFFFAOYSA-N
norman_susdat_id: NS00048208
pubchem_cid: 73121
smiles: O=C(O)CCN1C(=O)N(C(=O)N(C1=O)CCC(=O)O)CCC(=O)O
inchi:
InChI=1/C12H15N3O9/c16-7(17)1-4-13-10(22)14(5-2-8(18)19)12(24)15(11(13)23)6-3-9(20)21/h1-6H2,(H,16,17)(H,18,19)(H,20,21)


cas: 29041-35-8
dtxsid: DTXSID50951639
formula: C17H22O5
inchikey: SYTRJRUSWMMZLV-UHFFFAOYSA-N
norman_susdat_id: NS00051353
pubchem_cid: 3483298
smiles: O=C(OC1CC(=C2C=CC(O)(C)C2C3OC(=O)C(C)C13)C)C
name:
[3S-(3a,3aa,4a,9a,9aa,9bß)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetate

inchi:
InChI=1/C17H22O5/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-15(13)14-11(8)5-6-17(14,4)20/h5-6,9,12-15,20H,7H2,1-4H3


name: Dimethylbis(octadecyloxy)silane
cas: 29043-70-7
dtxsid: DTXSID4067430
formula: C38H80O2Si
inchikey: DWJGOISYMPVHNX-UHFFFAOYSA-N
norman_susdat_id: NS00051354
pubchem_cid: 120117
smiles: O(CCCCCCCCCCCCCCCCCC)[Si](OCCCCCCCCCCCCCCCCCC)(C)C
inchi:
InChI=1/C38H80O2Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41(3,4)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3


name: Dinonanoic acid, diester with oxydi(propanol)
cas: 29059-00-5
formula: C24H46O5
inchikey: QNQFILNCKAALEB-UHFFFAOYSA-N
norman_susdat_id: NS00051356
pubchem_cid: 114078
smiles: O=C(OCCCOCCCOC(=O)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3


name: (Z)-octadec-9-enyl palmitate
cas: 2906-55-0
chebiid: CHEBI:165703
dtxsid: DTXSID30883904
formula: C34H66O2
inchikey: ZCVXZRVTVSAZJS-ZCXUNETKSA-N
norman_susdat_id: NS00048882
pubchem_cid: 5377230
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3


name: Bis[p-(dimethylamino)phenyl]methyl toluenesulphinate
cas: 29061-52-7
dtxsid: DTXSID60951665
formula: C24H28N2O2S
inchikey: KDHYJULAYMXQIW-UHFFFAOYSA-N
norman_susdat_id: NS00051374
pubchem_cid: 168857
smiles: O=S(OC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)C=3C=CC=CC3C
inchi:
InChI=1/C24H28N2O2S/c1-18-8-6-7-9-23(18)29(27)28-24(19-10-14-21(15-11-19)25(2)3)20-12-16-22(17-13-20)26(4)5/h6-17,24H,1-5H3


name: Lithium dodecylbenzenesulphonate
cas: 29062-27-9
formula: C18H30O3S.Li
inchikey: IRDCEJVOXCGYAV-UHFFFAOYSA-M
norman_susdat_id: NS00084490
smiles: [Li+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Li/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1


name: Sucrose pentapalmitate
cas: 29063-58-9
formula: C92H172O16
inchikey: PYHKLWBGVNGBLC-WXKSACGSSA-N
norman_susdat_id: NS00050953
pubchem_cid: NA
inchi:
InChI=1/C92H172O16/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-81(96)102-86-79(76-93)101-91(89(105-84(99)74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)88(86)104-83(98)73-68-63-58-53-48-43-38-33-28-23-18-13-8-3)108-92(78-95)90(106-85(100)75-70-65-60-55-50-45-40-35-30-25-20-15-10-5)87(80(77-94)107-92)103-82(97)72-67-62-57-52-47-42-37-32-27-22-17-12-7-2/h79-80,86-91,93-95H,6-78H2,1-5H3

smiles:
O=C(OC1C(OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC


name: Sucrose tetrapalmitate
cas: 29063-59-0
formula: C76H142O15
inchikey: KBXJHBZLRVRBLG-JVGFCKKKSA-N
norman_susdat_id: NS00051402
pubchem_cid: NA
inchi:
InChI=1/C76H142O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-66(80)86-71-65(62-78)90-76(63-79,74(71)89-69(83)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)91-75-73(88-68(82)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72(70(84)64(61-77)85-75)87-67(81)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h64-65,70-75,77-79,84H,5-63H2,1-4H3

smiles:
O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC


name: Sucrose trimyristate
cas: 29063-61-4
formula: C54H100O14
inchikey: YMKZDBVJBMTUID-BGIWEYCFSA-N
norman_susdat_id: NS00050954
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCC)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCCCC)CO)CCCCCCCCCCCCC
inchi:
InChI=1/C54H100O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-45(58)64-50-48(61)43(40-55)63-53(51(50)65-46(59)38-35-32-29-26-23-20-17-14-11-8-5-2)68-54(42-57)52(49(62)44(41-56)67-54)66-47(60)39-36-33-30-27-24-21-18-15-12-9-6-3/h43-44,48-53,55-57,61-62H,4-42H2,1-3H3


name: Prednimustine
cas: 29069-24-7
chebiid: CHEBI:82524
chemspiderid: 31708
dtxsid: DTXSID4021183
formula: C35H45Cl2N1O6
inchikey: HFVNWDWLWUCIHC-GUPDPFMOSA-N
norman_susdat_id: NS00028621
pubchem_cid: 34457
inchi:
InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27?,28-,29-,32+,33-,34-,35?/m0/s1

smiles:
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl


name: Benzenesulfonamide, N-(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthracenyl)-4-methyl-
cas: 2907-79-1
chemspiderid: 68680
dtxsid: DTXSID6062701
formula: C27H20N2O5S1
inchikey: VOOHPYUBEFOAEZ-UHFFFAOYSA-N
norman_susdat_id: NS00028622
pubchem_cid: 76197
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cc(Oc2ccccc2)c(N)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C27H20N2O5S/c1-16-11-13-18(14-12-16)35(32,33)29-21-15-22(34-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3


name: Ammonium heptadecafluorooctanesulphonate
cas: 29081-56-9
formula: C8HF17O3S.H3N
inchikey: UAWBWGUIUMQJIT-UHFFFAOYSA-N
norman_susdat_id: NS00085446
smiles: [NH4+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF17O3S.H3N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);1H3


name: Phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane
cas: 290827-94-0
dtxsid: DTXSID70472972
formula: C34H21F26P
inchikey: GNCTUKGIBHXUPH-UHFFFAOYSA-N
norman_susdat_id: NS00111244
inchi:
InChI=1S/C34H21F26P/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)16-14-18-6-10-21(11-7-18)61(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h1-13H,14-17H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


cas: 290828-45-4
formula: C36H54N6O5
inchikey: TUSUWHFYKZZRIG-JQWMYKLHSA-N
norman_susdat_id: NS00073583
pubchem_cid: 9830969
name:
N-(1-{[1-({1-[(1-carbamoyl-3-methylbutyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-phenylethyl]carbamoyl}-2-methylpropyl)-4-methyl-2-(methylamino)pentanamide

inchi:
InChI=1S/C36H54N6O5/c1-22(2)18-27(32(37)43)39-34(45)29(20-25-14-10-8-11-15-25)40-35(46)30(21-26-16-12-9-13-17-26)41-36(47)31(24(5)6)42-33(44)28(38-7)19-23(3)4/h8-17,22-24,27-31,38H,18-21H2,1-7H3,(H2,37,43)(H,39,45)(H,40,46)(H,41,47)(H,42,44)/t27-,28-,29-,30-,31-/m1/s1

smiles:
CN[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(N)=O)C(C)C


cas: 29087-71-6
dtxsid: DTXSID70897681
norman_susdat_id: NS00111544
name:
Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(1,2,2-trifluoroethenyl)oxy]-, polymer with ethene and 1,1,2,2-tetrafluoroethene


name: 1,1,4,4-tetramethylbutane-1,4-diyl bis(isononaneperoxoate)
cas: 29089-67-6
dtxsid: DTXSID70183334
formula: C26H50O6
inchikey: YFCKFSHPDAWAAH-UHFFFAOYSA-N
norman_susdat_id: NS00052181
pubchem_cid: 120127
smiles: O=C(OOC(C)(C)CCC(OOC(=O)CCCCCC(C)C)(C)C)CCCCCC(C)C
inchi:
InChI=1/C26H50O6/c1-21(2)15-11-9-13-17-23(27)29-31-25(5,6)19-20-26(7,8)32-30-24(28)18-14-10-12-16-22(3)4/h21-22H,9-20H2,1-8H3


name: (Z)-9-octadecenyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 29089-68-7
formula: C24H42O7
inchikey: QPXDCWRAUMXWMG-KTKRTIGZSA-N
norman_susdat_id: NS00052182
pubchem_cid: 6438192
smiles: O=C(O)CC(O)(C(=O)O)CC(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h9-10,30H,2-8,11-20H2,1H3,(H,25,26)(H,28,29)


name: Dinitramine
cas: 29091-05-2
chebiid: CHEBI:81959
chemspiderid: 31718
dtxsid: DTXSID9040265
formula: C11H13F3N4O4
inchikey: OFDYMSKSGFSLLM-UHFFFAOYSA-N
norman_susdat_id: NS00009760
pubchem_cid: 34468
smiles: CCN(CC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
inchi:
InChI=1S/C11H13F3N4O4/c1-3-16(4-2)9-7(17(19)20)5-6(11(12,13)14)8(15)10(9)18(21)22/h5H,3-4,15H2,1-2H3


name: Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-
cas: 29091-20-1
chemspiderid: 85191
dtxsid: DTXSID4067436
formula: C13H15Cl1F3N3O4
inchikey: MYVMMXACRYYJJK-UHFFFAOYSA-N
norman_susdat_id: NS00002751
pubchem_cid: 94399
smiles: CCCN(CCC)c1c(cc(c(Cl)c1N(=O)=O)C(F)(F)F)N(=O)=O
inchi:
InChI=1S/C13H15ClF3N3O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(15,16)17)10(14)12(11)20(23)24/h7H,3-6H2,1-2H3


name: Prodiamine
cas: 29091-21-2
chebiid: CHEBI:82032
chemspiderid: 31719
dtxsid: DTXSID1034210
formula: C13H17F3N4O4
inchikey: RSVPPPHXAASNOL-UHFFFAOYSA-N
norman_susdat_id: NS00009209
pubchem_cid: 34469
smiles: CCCN(CCC)c1c(cc(c(N)c1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
inchi:
InChI=1S/C13H17F3N4O4/c1-3-5-18(6-4-2)11-9(19(21)22)7-8(13(14,15)16)10(17)12(11)20(23)24/h7H,3-6,17H2,1-2H3


cas: 29092-63-5
dtxsid: DTXSID50885445
formula: C20H20N4O14S3
inchikey: ZALKFJRRNQAOGJ-UHFFFAOYSA-N
norman_susdat_id: NS00051421
pubchem_cid: 120129
smiles: O=C(O)C1=NN(C(=O)C1N=NC=2C=C(OC)C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O
name:
4-[[4-[(2-hydroxyethyl)sulphonyl]-2,5-dimethoxyphenyl]azo]-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, hydrogen sulphate (ester)

inchi:
InChI=1/C20H20N4O14S3/c1-36-14-10-16(39(28,29)8-7-38-41(33,34)35)15(37-2)9-13(14)21-22-17-18(20(26)27)23-24(19(17)25)11-3-5-12(6-4-11)40(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)


name: Glipizide
cas: 29094-61-9
chebiid: CHEBI:5384
chemspiderid: 3359
dtxsid: DTXSID0040676
formula: C21H27N5O4S1
inchikey: ZJJXGWJIGJFDTL-UHFFFAOYSA-N
norman_susdat_id: NS00009815
pubchem_cid: 3478
smiles: Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
inchi:
InChI=1S/C21H27N5O4S/c1-15-13-24-19(14-23-15)20(27)22-12-11-16-7-9-18(10-8-16)31(29,30)26-21(28)25-17-5-3-2-4-6-17/h7-10,13-14,17H,2-6,11-12H2,1H3,(H,22,27)(H2,25,26,28)


name: Terofenamate
cas: 29098-15-5
chemspiderid: 59185
dtxsid: DTXSID20183344
formula: C17H17Cl2N1O3
inchikey: FRQSLQPWXFAJFO-UHFFFAOYSA-N
norman_susdat_id: NS00028628
pubchem_cid: 65763
smiles: CCOCOC(=O)c1ccccc1Nc1c(Cl)c(C)ccc1Cl
inchi:
InChI=1S/C17H17Cl2NO3/c1-3-22-10-23-17(21)12-6-4-5-7-14(12)20-16-13(18)9-8-11(2)15(16)19/h4-9,20H,3,10H2,1-2H3


name: Acetamide, N-[3-[ethyl(phenylmethyl)amino]phenyl]-
cas: 29103-58-0
chemspiderid: 107247
dtxsid: DTXSID8067440
formula: C17H20N2O1
inchikey: WHILCEOUZRONTD-UHFFFAOYSA-N
norman_susdat_id: NS00028630
pubchem_cid: 120133
smiles: CCN(Cc1ccccc1)c1cc(NC(=O)C)ccc1
inchi:
InChI=1S/C17H20N2O/c1-3-19(13-15-8-5-4-6-9-15)17-11-7-10-16(12-17)18-14(2)20/h4-12H,3,13H2,1-2H3,(H,18,20)


name: Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-
cas: 29103-60-4
chemspiderid: 107249
dtxsid: DTXSID8067442
formula: C22H22N2O1
inchikey: HQLFTQUBRWAEGR-UHFFFAOYSA-N
norman_susdat_id: NS00028632
pubchem_cid: 120135
smiles: CC(=O)Nc1cccc(c1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C22H22N2O/c1-18(25)23-21-13-8-14-22(15-21)24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15H,16-17H2,1H3,(H,23,25)


name: Benzoximate
cas: 29104-30-1
chemspiderid: 4786250
dtxsid: DTXSID8041660
formula: C18H18Cl1N1O5
inchikey: BZMIHNKNQJJVRO-JZJYNLBNSA-N
norman_susdat_id: NS00000095
pubchem_cid: 6035168
smiles: CCON=C(OC(=O)C1=CC=CC=C1)C1=C(OC)C=CC(Cl)=C1OC
inchi:
InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17-


name: 13-(cyclopent-2-enyl)tridecanoic acid
cas: 29106-32-9
chebiid: CHEBI:27939
formula: C18H32O2
inchikey: XMVQWNRDPAAMJB-UHFFFAOYSA-N
norman_susdat_id: NS00050526
pubchem_cid: 72853
smiles: O=C(O)CCCCCCCCCCCCC1C=CCC1
inchi:
InChI=1/C18H32O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,1-10,12-13,15-16H2,(H,19,20)


name: Procyanidin C2 (Catechin-(4alpha->8)-catechin-(4alpha->8)-catechin)
cas: 29106-49-8
chebiid: CHEBI:75644
chemspiderid: 11182062
formula: C45H38O18
inchikey: MOJZMWJRUKIQGL-WNCKYJNFSA-N
norman_susdat_id: NS00094560
pubchem_cid: 9357147
smiles:
C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@H]5[C@@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O


name: Procyanidin B4
cas: 29106-51-2
chebiid: CHEBI:27589
chemspiderid: 129882
dtxsid: DTXSID50183357
formula: C30H26O12
inchikey: XFZJEEAOWLFHDH-VUGKQVTMSA-N
norman_susdat_id: NS00094718
pubchem_cid: 147299
inchi:
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1

smiles:
O[C@@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O


name: Sorbitan, di-9-octadecenoate, (Z,Z)-
cas: 29116-98-1
formula: C42H76O7
inchikey: VVQOXAYHITXZHP-UHFFFAOYSA-N
norman_susdat_id: NS00050534
pubchem_cid: NA
smiles: O=C(OCC1OC(COC(=O)CCCCCCCC=CCCCCCCCC)C(O)C1O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C42H76O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-35-37-41(45)42(46)38(49-37)36-48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42,45-46H,3-16,21-36H2,1-2H3


cas: 29117-08-6
formula: C12H10F17NO3S
norman_susdat_id: NS00101739
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


name: Frequentin
cas: 29119-03-7
chemspiderid: 4574406
dtxsid: DTXSID50891809
formula: C14H20O4
inchikey: MHZVWXOKIRZLCJ-XZQMCIKJSA-N
norman_susdat_id: NS00094883
pubchem_cid: 6036812
smiles: CCC/C=C/C=C/[C@@H]1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O
inchi:
InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1


name: 3-[[p-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
cas: 29120-27-2
formula: C14H22N6
inchikey: XCPWYKLPGAOCRR-UHFFFAOYSA-N
norman_susdat_id: NS00051300
pubchem_cid: NA
smiles: [Cl-].N(=NC1=N[NH+](C)CN1C)C2=CC=C(C=C2)N(CC)CC
inchi:
InChI=1/C14H22N6.ClH/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;/h7-10H,5-6,11H2,1-4H3;1H


name: Atenolol
cas: 29122-68-7
chebiid: CHEBI:2904
chemspiderid: 2162
dtxsid: DTXSID2022628
formula: C14H22N2O3
inchikey: METKIMKYRPQLGS-UHFFFAOYSA-N
norman_susdat_id: NS00010385
pubchem_cid: 2249
smiles: CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
eea_notation: CAS_29122-68-7
inchi:
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)


name: Aspercolorin
cas: 29123-52-2
chemspiderid: 32820044
formula: C25H28N4O5
inchikey: KABHYYPZHZXPIU-UHFFFAOYSA-N
norman_susdat_id: NS00010377
pubchem_cid: 101982325
smiles: COc1ccc2c(c1)C(=O)NC(C(=O)NCCC(=O)N3CCCC3C(=O)N2)Cc4ccccc4
inchi:
InChI=1S/C25H28N4O5/c1-34-17-9-10-19-18(15-17)23(31)28-20(14-16-6-3-2-4-7-16)24(32)26-12-11-22(30)29-13-5-8-21(29)25(33)27-19/h2-4,6-7,9-10,15,20-21H,5,8,11-14H2,1H3,(H,26,32)(H,27,33)(H,28,31)


name: p-Nitrobenzyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
cas: 29124-83-2
chemspiderid: 21173278
dtxsid: DTXSID20183384
formula: C15H15N3O5S1
inchikey: ABTUPEBOWRKQLD-FZMZJTMJSA-N
norman_susdat_id: NS00028638
pubchem_cid: 20841711
smiles: CC1=C(N2C(SC1)C(N)C2=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C15H15N3O5S/c1-8-7-24-14-11(16)13(19)17(14)12(8)15(20)23-6-9-2-4-10(5-3-9)18(21)22/h2-5,11,14H,6-7,16H2,1H3/t11-,14+/m1/s1


cas: 29126-12-3
dtxsid: DTXSID70951732
formula: C29H26N2O4S
inchikey: KRSQRWDTNJRUNK-CUBQBAPOSA-N
norman_susdat_id: NS00050535
pubchem_cid: 12917423
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(C)CSC4N3C(=O)C4NC(=O)CC=5C=CC=CC5
name:
Diphenylmethyl (6R-trans)-3-methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C29H26N2O4S/c1-19-18-36-28-24(30-23(32)17-20-11-5-2-6-12-20)27(33)31(28)25(19)29(34)35-26(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)


name: 2-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonic acid
cas: 29128-55-0
formula: C20H14N2O4S
inchikey: SRPCPRSDICCCRQ-UHFFFAOYSA-N
norman_susdat_id: NS00084217
smiles: OS(=O)(=O)c3c4ccccc4ccc3N=Nc1c2ccccc2ccc1O
inchi:
InChI=1/C20H14N2O4S/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26/h1-12,23H,(H,24,25,26)


cas: 29128-56-1
chemspiderid: 7844925
formula: C17H12N2O3
inchikey: DVZFFGUYHQDPAX-UHFFFAOYSA-N
norman_susdat_id: NS00040732
pubchem_cid: 6337141
smiles: OC(=O)c1ccccc1NN=C1C(=O)C=Cc2ccccc12
name:
bis[2-[(2-hydroxy-1-naphthyl)azo]benzoate]2-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]benzoic acid

inchi:
InChI=1S/C17H12N2O3/c20-15-10-9-11-5-1-2-6-12(11)16(15)19-18-14-8-4-3-7-13(14)17(21)22/h1-10,18H,(H,21,22)


cas: 29128-77-6
formula: C37H30N4O10S3
inchikey: YSHSHWHUIBZXKJ-UHFFFAOYSA-N
norman_susdat_id: NS00083934
name:
3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C37H30N4O10S3/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48)

smiles:
O=S(=O)(Oc1ccc(cc1)N=Nc2cc(C)c(cc2)c5ccc(N=Nc4c(cc3cc(ccc3c4O)S(O)(=O)=O)S(O)(=O)=O)cc5C)c6ccc(C)cc6


cas: 29128-95-8
formula: C25H18ClN7O10S3
inchikey: YWERRMQUIDISQM-UHFFFAOYSA-N
norman_susdat_id: NS00049987
pubchem_cid: 31702
name:
5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C25H18ClN7O10S3/c26-23-29-24(27-14-6-2-1-3-7-14)31-25(30-23)28-17-12-15(44(35,36)37)10-13-11-19(46(41,42)43)21(22(34)20(13)17)33-32-16-8-4-5-9-18(16)45(38,39)40/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31)

smiles:
O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)O)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(N4)NC=5C=CC=CC5)S(=O)(=O)O


name: Sucrose hexapalmitate
cas: 29130-29-8
formula: C108H202O17
inchikey: PKBVABNLYDODIU-XSSHIOHGSA-N
norman_susdat_id: NS00051302
pubchem_cid: NA
inchi:
InChI=1/C108H202O17/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-96(111)117-93-108(106(123-101(116)90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)103(95(92-110)124-108)120-98(113)87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)125-107-105(122-100(115)89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)104(121-99(114)88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)102(94(91-109)118-107)119-97(112)86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h94-95,102-107,109-110H,7-93H2,1-6H3

smiles:
O=C(OCC1(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC


name: UK-373911
cas: 291305-06-1
chemspiderid: 8083778
dtxsid: DTXSID5047295
formula: C17H18Cl2N2O2S1
inchikey: HGBGXSPIBLZGHS-SJCJKPOMSA-N
norman_susdat_id: NS00015723
pubchem_cid: 9908126
smiles: CNC1CCC(C2=C1C=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)Cl)Cl
inchi:
InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1


name: [methylidynetris(oxymethylene)]trisbenzene
cas: 29134-54-1
dtxsid: DTXSID10951736
formula: C22H22O3
inchikey: RVCMZHSHCNCMDS-UHFFFAOYSA-N
norman_susdat_id: NS00049988
pubchem_cid: 120139
smiles: O(CC=1C=CC=CC1)C(OCC=2C=CC=CC2)OCC=3C=CC=CC3
inchi:
InChI=1/C22H22O3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2


name: Dodecylhydroxyoxostannane
cas: 29134-69-8
dtxsid: DTXSID30183390
formula: C12H26O2Sn
inchikey: QXPASJXPZNHYCQ-UHFFFAOYSA-M
norman_susdat_id: NS00051324
pubchem_cid: 120140
smiles: O=[Sn](O)CCCCCCCCCCCC
inchi:
InChI=1/C12H25.H2O.O.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;;;/h1,3-12H2,2H3;1H2;;/q;;;+1/p-1/rC12H26O2Sn/c1-2-3-4-5-6-7-8-9-10-11-12-15(13)14/h13H,2-12H2,1H3


name: Diethyl (2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl)phosphonate
cas: 29135-85-1
chemspiderid: 107255
dtxsid: DTXSID90183391
formula: C9H18N5O3P1
inchikey: XNCQJPXXTGPKTK-UHFFFAOYSA-N
norman_susdat_id: NS00028641
pubchem_cid: 120141
smiles: CCOP(=O)(CCc1nc(N)nc(N)n1)OCC
inchi:
InChI=1S/C9H18N5O3P/c1-3-16-18(15,17-4-2)6-5-7-12-8(10)14-9(11)13-7/h3-6H2,1-2H3,(H4,10,11,12,13,14)


name: Nonadecylbenzene
cas: 29136-19-4
dtxsid: DTXSID10880214
formula: C25H44
inchikey: SHWJJBRTHGGZBE-UHFFFAOYSA-N
norman_susdat_id: NS00049989
pubchem_cid: 94400
smiles: C=1C=CC(=CC1)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3


name: 1-methyl-3-octylindan
cas: 29138-84-9
dtxsid: DTXSID00951740
formula: C18H28
inchikey: TZOILYATZQCBGS-UHFFFAOYSA-N
norman_susdat_id: NS00050528
pubchem_cid: 119860
smiles: C=1C=CC2=C(C1)C(C)CC2CCCCCCCC
inchi:
InChI=1/C18H28/c1-3-4-5-6-7-8-11-16-14-15(2)17-12-9-10-13-18(16)17/h9-10,12-13,15-16H,3-8,11,14H2,1-2H3


name: 1-methyl-3-nonylindan
cas: 29138-85-0
dtxsid: DTXSID60951741
formula: C19H30
inchikey: OJRWTMMDPUZADW-UHFFFAOYSA-N
norman_susdat_id: NS00050529
pubchem_cid: 119861
smiles: C=1C=CC2=C(C1)C(C)CC2CCCCCCCCC
inchi:
InChI=1/C19H30/c1-3-4-5-6-7-8-9-12-17-15-16(2)18-13-10-11-14-19(17)18/h10-11,13-14,16-17H,3-9,12,15H2,1-2H3


name: 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
cas: 2914-77-4
chebiid: CHEBI:75722
formula: C16H25NO2
inchikey: TVYLLZQTGLZFBW-UHFFFAOYSA-N
norman_susdat_id: NS00083054
smiles: COc1cccc(c1)C2(O)CCCCC2CN(C)C
inchi:
InChI=1/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3


name: (S)-3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde
cas: 29144-31-8
dtxsid: DTXSID40951749
formula: C18H23NO2
inchikey: XSOPBBOEINVWML-UHFFFAOYSA-N
norman_susdat_id: NS00050530
pubchem_cid: 119862
smiles: O=CN1CCC2=C(CCCC2)C1CC3=CC=C(OC)C=C3
inchi:
InChI=1/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3


cas: 29147-50-0
formula: C20H24Cl2N10.2C6H12O7
inchikey: LUGSEJXOEVFBRP-UUPCJSQJSA-N
norman_susdat_id: NS00084222
name:
D-gluconic acid, compound with N,N''-bis[[(4-chlorophenyl)amino]iminomethyl]piperazin-1,4-dicarboxamidine (2:1)

inchi:
InChI=1/C20H24Cl2N10.2C6H12O7/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*2-5,7-11H,1H2,(H,12,13)

smiles:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1


name: Didodecyl maleate
cas: 2915-52-8
dtxsid: DTXSID6062705
formula: C28H52O4
inchikey: HEJZJSIRBLOWPD-VHXPQNKSSA-N
norman_susdat_id: NS00083728
smiles: CCCCCCCCCCCCOC(=O)\C=C/C(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3


name: 2-Butenedioic acid (2Z)-, dioctyl ester (Dioctylmaleate)
cas: 2915-53-9
chemspiderid: 4575498
dtxsid: DTXSID1027508
formula: C20H36O4
inchikey: TVWTZAGVNBPXHU-UHFFFAOYSA-N
norman_susdat_id: NS00001459
pubchem_cid: 18011
smiles: CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC
inchi:
InChI=1S/C20H36O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h15-16H,3-14,17-18H2,1-2H3


name: Butanedioic acid, 1,4-bis(2-ethylhexyl) ester
cas: 2915-57-3
chemspiderid: 92957
dtxsid: DTXSID60863057
formula: C20H38O4
inchikey: WMNULTDOANGXRT-UHFFFAOYSA-N
norman_susdat_id: NS00008957
pubchem_cid: 102903
smiles: CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3


name: 1-Dodecanamine, N-dodecyl-N-methyl-
cas: 2915-90-4
chemspiderid: 68688
dtxsid: DTXSID6062707
formula: C25H53N1
inchikey: UWHRNIXHZAWBMF-UHFFFAOYSA-N
norman_susdat_id: NS00021993
pubchem_cid: 76205
smiles: CCCCCCCCCCCCN(C)CCCCCCCCCCCC
inchi:
InChI=1S/C25H53N/c1-4-6-8-10-12-14-16-18-20-22-24-26(3)25-23-21-19-17-15-13-11-9-7-5-2/h4-25H2,1-3H3


name: Barium bis[didodecylbenzenesulphonate]
cas: 29152-54-3
formula: C30H54O3S.1/2Ba
inchikey: XKPXIMKPDMUIDN-UHFFFAOYSA-L
norman_susdat_id: NS00084223
inchi:
InChI=1/2C30H54O3S.Ba/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2

smiles:
[Ba+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-]


name: Magnesium bis[didodecylbenzenesulphonate]
cas: 29152-71-4
formula: C30H54O3S.1/2Mg
inchikey: DLHVIJYCRRWGCN-UHFFFAOYSA-L
norman_susdat_id: NS00084731
inchi:
InChI=1/2C30H54O3S.Mg/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2

smiles:
[Mg+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-]


name: 1-[6-(2-Carboxyethyl)-2,4-dihydroxy-7-oxopteridin-8(7H)-yl]-1-deoxypentitol
cas: 29161-67-9
dtxsid: DTXSID00951760
formula: C14H18N4O9
inchikey: PTYCEIBBGGLADD-PJKMHFRUSA-N
norman_susdat_id: NS00070746
pubchem_cid: 185679
smiles: O=C(O)CCc1nc2c(=O)[nH]c(=O)[nH]c2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1=O
inchi:
InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1


name: Tris[2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yloxy)ethyl]amine
cas: 29167-65-5
dtxsid: DTXSID3067447
formula: C24H48N4O12Si3
inchikey: FOBGJHFRTCZWAF-UHFFFAOYSA-N
norman_susdat_id: NS00049990
pubchem_cid: 168863
smiles: O1CCN2CCO[Si]1(OCC2)OCCN(CCO[Si]34OCCN(CCO3)CCO4)CCO[Si]56OCCN(CCO5)CCO6
inchi:
InChI=1/C24H48N4O12Si3/c1-13-29-41(30-14-2-25(1)3-15-31-41)38-22-10-28(11-23-39-42-32-16-4-26(5-17-33-42)6-18-34-42)12-24-40-43-35-19-7-27(8-20-36-43)9-21-37-43/h1-24H2


name: SODIUM OCTOXYNOL-2 ETHANE SULFONATE
cas: 2917-94-4
chemspiderid: 17022
formula: C20H34O6S1
inchikey: QKTHVODRSZLVBH-UHFFFAOYSA-N
norman_susdat_id: NS00014080
pubchem_cid: 18018
smiles: [Na+].CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCC[S]([O-])(=O)=O)cc1
inchi:
InChI=1S/C20H34O6S.Na/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)26-13-12-24-10-11-25-14-15-27(21,22)23;/h6-9H,10-16H2,1-5H3,(H,21,22,23);/q;+1/p-1


name: 7-(3,3,5,5-tetramethyl-1-vinylhexyl)quinolin-8-ol
cas: 29171-27-5
formula: C21H29NO
inchikey: VOHHCUUIBNXCNP-UHFFFAOYSA-N
norman_susdat_id: NS00051370
pubchem_cid: 119868
smiles: OC1=C2N=CC=CC2=CC=C1C(C=C)CC(C)(C)CC(C)(C)C
inchi:
InChI=1/C21H29NO/c1-7-15(13-21(5,6)14-20(2,3)4)17-11-10-16-9-8-12-22-18(16)19(17)23/h7-12,15,23H,1,13-14H2,2-6H3


name: EthylÂ loflazepate
cas: 29177-84-2
chebiid: CHEBI:31573
chemspiderid: 3183
formula: C18H14Cl1F1N2O3
inchikey: CUCHJCMWNFEYOM-UHFFFAOYSA-N
norman_susdat_id: NS00004645
pubchem_cid: 3299
smiles: CCOC(=O)C1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1O
inchi:
InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)


name: Benzenesulfonic acid, 3-[(2,4-dihydroxyphenyl)azo]-4-hydroxy-
cas: 2918-80-1
chemspiderid: 4528708
dtxsid: DTXSID0062711
formula: C12H10N2O6S1
inchikey: NOYGQBBPVKLDQU-UHFFFAOYSA-N
norman_susdat_id: NS00021105
pubchem_cid: NA
smiles: OC1=CC(=O)C=C/C/1=NNc1c(O)ccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C12H10N2O6S/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16/h1-6,14,16-17H,(H,18,19,20)/b13-9+


name: (S)-[3-[2-(allyloxy)phenoxy]-2-hydroxypropyl]isopropylammonium chloride
cas: 29181-23-5
formula: C15H23NO3.ClH
inchikey: COAJXCLTPGGDAJ-ZOWNYOTGSA-N
norman_susdat_id: NS00083962
smiles: [Cl-].CC(C)[NH2+]C[C@H](O)COc1ccccc1OCC=C
inchi:
InChI=1/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H


name: Melengestrol acetate
cas: 2919-66-6
chebiid: CHEBI:34831
chemspiderid: 219803
dtxsid: DTXSID5048184
formula: C25H32O4
inchikey: UDKABVSQKJNZBH-DWNQPYOZSA-N
norman_susdat_id: NS00028653
pubchem_cid: 250948
smiles: CC(=O)O[C@]1(C(=O)C)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1


name: 5-chloro-2-hydroxy-3-[[3-methyl-5-oxo-1-(m-sulphophenyl)-2-pyrazolin-4-yl]azo]benzenesulphonic acid
cas: 29194-44-3
formula: C16H13ClN4O8S2
inchikey: IMQZAMUWKUCBBR-UHFFFAOYSA-N
norman_susdat_id: NS00050574
pubchem_cid: 120146
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC(=C2O)S(=O)(=O)O)C3=CC=CC(=C3)S(=O)(=O)O
inchi:
InChI=1/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,14,22H,1H3,(H,24,25,26)(H,27,28,29)


name: 3',6'-Bis(diethylamino)-2-(4-nitrophenyl)spiro(1H-isoindole-1,9'-(9H)xanthene)-3(2H)-one
cas: 29199-09-5
chemspiderid: 107071
dtxsid: DTXSID10183459
formula: C34H34N4O4
inchikey: XZXFZILEZWXEND-UHFFFAOYSA-N
norman_susdat_id: NS00028654
pubchem_cid: 120150
smiles: CCN(CC)c1cc2c(cc1)C1(N(C(=O)c3ccccc13)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1O2)N(CC)CC
inchi:
InChI=1S/C34H34N4O4/c1-5-35(6-2)25-17-19-29-31(21-25)42-32-22-26(36(7-3)8-4)18-20-30(32)34(29)28-12-10-9-11-27(28)33(39)37(34)23-13-15-24(16-14-23)38(40)41/h9-22H,5-8H2,1-4H3


name: Prednisolone 21-(hydrogen succinate)
cas: 2920-86-7
chebiid: CHEBI:135745
formula: C25H32O8
inchikey: APGDTXUMTIZLCJ-CGVGKPPMSA-N
norman_susdat_id: NS00083392
smiles: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O
inchi:
InChI=1/C25H32O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-18,22,27,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)


name: 6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate
cas: 29205-06-9
dtxsid: DTXSID30951798
formula: C27H37FO5
inchikey: XZBJVIQXJHGUBE-HZMVJJPJSA-N
norman_susdat_id: NS00050061
pubchem_cid: 119871
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)COC(=O)C(C)(C)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3


name: 1-[(4-ethoxyphenyl)amino]-4-[(3,3,5-trimethylcyclohexyl)amino]anthraquinone
cas: 29205-96-7
dtxsid: DTXSID90951799
formula: C31H34N2O3
inchikey: MJBSYEWZIOCLRR-UHFFFAOYSA-N
norman_susdat_id: NS00051371
pubchem_cid: 119872
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(OCC)C=C4)C13)NC5CC(C)CC(C)(C)C5
inchi:
InChI=1/C31H34N2O3/c1-5-36-22-12-10-20(11-13-22)32-25-14-15-26(33-21-16-19(2)17-31(3,4)18-21)28-27(25)29(34)23-8-6-7-9-24(23)30(28)35/h6-15,19,21,32-33H,5,16-18H2,1-4H3


name: Methylprednisolone Hemisuccinate [USP]
cas: 2921-57-5
chemspiderid: 1804
dtxsid: DTXSID80183466
formula: C26H34O8
inchikey: IMBXEJJVJRTNOW-UHFFFAOYSA-N
norman_susdat_id: NS00009851
pubchem_cid: 1875
smiles: CC1CC2C3CCC(O)(C(=O)COC(=O)CCC(O)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
inchi:
InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)


cas: 29212-95-1
formula: C24H17N3O6
inchikey: RGRNZLCJXLJVCN-UHFFFAOYSA-N
norman_susdat_id: NS00050580
pubchem_cid: 135610138
smiles: O=C(O)C1=NN(C(=O)C1=CC=CC2=C(O)N(C=C2C(=O)O)C=3C=CC=CC3)C=4C=CC=CC4
name:
4-[3-(4-carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C24H17N3O6/c28-21-17(19(23(30)31)14-26(21)15-8-3-1-4-9-15)12-7-13-18-20(24(32)33)25-27(22(18)29)16-10-5-2-6-11-16/h1-14,28H,(H,30,31)(H,32,33)


cas: 29213-78-3
dtxsid: DTXSID90183472
formula: C26H30ClN2O3S3
inchikey: YJQBFLHCXFMMNZ-UHFFFAOYSA-N
norman_susdat_id: NS00050459
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(SC=2C=C(C(=CC21)C)C)C=C(C=C3SC4=CC=C(Cl)C=C4N3CC)CC
name:
2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C26H29ClN2O3S3/c1-5-19(14-25-28(6-2)22-16-20(27)8-9-23(22)33-25)15-26-29(10-7-11-35(30,31)32)21-12-17(3)18(4)13-24(21)34-26/h8-9,12-16H,5-7,10-11H2,1-4H3


cas: 29214-37-7
dtxsid: DTXSID20330472
formula: C9H2F18O4S2
inchikey: XONFSEOHZGSMJG-UHFFFAOYSA-N
norman_susdat_id: NS00109498
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
1,1,1,2,2,3,3,4,4-Nonafluoro-4-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)methanesulfonyl]butane

inchi:
InChI=1S/C9H2F18O4S2/c10-2(11,6(18,19)20)4(14,15)8(24,25)32(28,29)1-33(30,31)9(26,27)5(16,17)3(12,13)7(21,22)23/h1H2


name: N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethan-1-amine N-oxide
cas: 29215-00-7
chemspiderid: 31768
dtxsid: DTXSID90951815
formula: C18H23NO2
inchikey: XMSSICJSZNPVFX-UHFFFAOYSA-N
norman_susdat_id: NS00114059
pubchem_cid: 34520
smiles: CC1=CC=CC=C1C(OCCN(C)(C)=O)C1=CC=CC=C1
inchi:
InChI=1S/C18H23NO2/c1-15-9-7-8-12-17(15)18(16-10-5-4-6-11-16)21-14-13-19(2,3)20/h4-12,18H,13-14H2,1-3H3


name: Mequitazine
cas: 29216-28-2
chebiid: CHEBI:31821
chemspiderid: 3926
dtxsid: DTXSID8023262
formula: C20H22N2S1
inchikey: HOKDBMAJZXIPGC-UHFFFAOYSA-N
norman_susdat_id: NS00001972
pubchem_cid: 4066
smiles: C(C1CN2CCC1CC2)N1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2


name: Dextromoramide hydrogen (+)-tartrate
cas: 2922-44-3
formula: C25H32N2O2.C4H6O6
inchikey: ACRMUSVWIFZVSM-JTHHODAVSA-N
norman_susdat_id: NS00083415
smiles: C[C@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4.O[C@H]([C@@H](O)C(=O)O)C(=O)O
inchi:
InChI=1/C25H32N2O2.C4H6O6/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;5-1(3(7)8)2(6)4(9)10/h2-7,10-13,21H,8-9,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


cas: 29225-66-9
formula: C29H20ClN7O11S3
inchikey: KIRKGWILHWJIMS-UHFFFAOYSA-K
norman_susdat_id: NS00050297
pubchem_cid: NA
name:
Trisodium 1-amino-4-[[4-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C29H20ClN7O11S3.3Na/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(NC=5N=C(Cl)N=C(N5)NC=6C=CC=CC6S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


name: 4-(diethylamino)benzaldehyde [[4-(diethylamino)phenyl]methylene]hydrazone
cas: 29228-93-1
formula: C22H30N4
inchikey: LKNAOEKIUMUWHF-AALPEOGESA-N
norman_susdat_id: NS00049579
pubchem_cid: 121795
smiles: N(N=CC1=CC=C(C=C1)N(CC)CC)=CC2=CC=C(C=C2)N(CC)CC
inchi:
InChI=1/C22H30N4/c1-5-25(6-2)21-13-9-19(10-14-21)17-23-24-18-20-11-15-22(16-12-20)26(7-3)8-4/h9-18H,5-8H2,1-4H3


cas: 2923-93-5
chemspiderid: 92958
dtxsid: DTXSID00883911
formula: C32H41F7N2O4
inchikey: FVSDJPACEHXABM-UHFFFAOYSA-N
norman_susdat_id: NS00007475
pubchem_cid: 102904
smiles: CCCCC(Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC)C(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1
name:
Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-hydroxyphenyl]-

inchi:
InChI=1S/C32H41F7N2O4/c1-8-11-12-25(45-24-16-13-19(28(4,5)9-2)17-21(24)29(6,7)10-3)26(43)40-20-14-15-22(23(42)18-20)41-27(44)30(33,34)31(35,36)32(37,38)39/h13-18,25,42H,8-12H2,1-7H3,(H,40,43)(H,41,44)


name: Bis(p-anilinophenyl)[4-[(3-methylphenyl)amino]phenyl]methylium sulphate (2:1)
cas: 29243-26-3
dtxsid: DTXSID60884666
formula: C38H32N3
inchikey: KAYDFEZJPMWJMG-UHFFFAOYSA-L
norman_susdat_id: NS00050322
pubchem_cid: 20846683
inchi:
InChI=1/2C38H33N3.H2O4S/c2*1-28-9-8-14-37(27-28)41-36-25-19-31(20-26-36)38(29-15-21-34(22-16-29)39-32-10-4-2-5-11-32)30-17-23-35(24-18-30)40-33-12-6-3-7-13-33;1-5(2,3)4/h2*2-27,38-41H,1H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
O=S(=O)([O-])[O-].C=1C=CC(=CC1)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC=4C=CC=CC4)C5=CC=C(C=C5)NC6=CC=CC(=C6)C.C=1C=CC(=CC1)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC=4C=CC=CC4)C5=CC=C(C=C5)NC6=CC=CC(=C6)C


name: Magnesium 4-[(dipropylamino)sulphonyl]benzoate
cas: 29243-46-7
formula: C13H19NO4S.1/2Mg
inchikey: MPLGKWAFXWWLMP-UHFFFAOYSA-L
norman_susdat_id: NS00083726
smiles: [Mg+2].CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)[O-].CCCN(CCC)S(=O)(=O)c2ccc(cc2)C(=O)[O-]
inchi:
InChI=1/2C13H19NO4S.Mg/c2*1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h2*5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;;+2/p-2


cas: 29245-44-1
formula: C16H6Br2Cl2N2O2
inchikey: FPVYDTKAOGFJJT-UHFFFAOYSA-N
norman_susdat_id: NS00050323
pubchem_cid: NA
smiles: O=C1C(NC2=CC=C(Br)C(Cl)=C12)=C3NC4=CC=C(Br)C(Cl)=C4C3=O
name:
5-bromo-2-(5-bromo-4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-4-chloro-1,2-dihydro-3H-indol-3-one

inchi:
InChI=1/C16H6Br2Cl2N2O2/c17-5-1-3-7-9(11(5)19)15(23)13(21-7)14-16(24)10-8(22-14)4-2-6(18)12(10)20/h1-4,21-22H


name: 2-Naphthalenecarboxamide, N-(4-dodecylphenyl)-3-hydroxy-
cas: 29246-97-7
chemspiderid: 108672
dtxsid: DTXSID2067452
formula: C29H37N1O2
inchikey: RSEDMFBYNDMBTA-UHFFFAOYSA-N
norman_susdat_id: NS00028658
pubchem_cid: 121800
smiles: CCCCCCCCCCCCc1ccc(NC(=O)c2cc3c(cccc3)cc2O)cc1
inchi:
InChI=1S/C29H37NO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-17-19-26(20-18-23)30-29(32)27-21-24-15-12-13-16-25(24)22-28(27)31/h12-13,15-22,31H,2-11,14H2,1H3,(H,30,32)


name: Dipyrromethane cofactor
cas: 29261-13-0
chebiid: CHEBI:42121
dtxsid: DTXSID50183514
formula: C20H24N2O8
inchikey: LCAXMKQKEYTFDM-UHFFFAOYSA-N
norman_susdat_id: NS00071249
pubchem_cid: 5460481
smiles: Cc1[nH]c(Cc2[nH]cc(CCC(=O)O)c2CC(=O)O)c(CCC(=O)O)c1CC(=O)O
inchi:
InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h9,21-22H,2-8H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)


name: Dianicline
cas: 292634-27-6
dtxsid: DTXSID30870314
formula: C13H16N2O
inchikey: SUPRUPHAEXPGPF-QWHCGFSZSA-N
norman_susdat_id: NS00069685
pubchem_cid: 10176764
smiles: c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3
inchi:
InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1


cas: 29288-99-1
formula: C12H11I3N2O5.C7H17NO5
inchikey: IFTFXKNYTWAOGK-WZTVWXICSA-N
norman_susdat_id: NS00084088
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I
name:
1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate

inchi:
InChI=1/C12H11I3N2O5.C7H17NO5/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);4-13H,2-3H2,1H3


name: Dibutyl 2,6-di-tert-butyl-4-tolyl orthoborate
cas: 2929-85-3
chemspiderid: 68712
dtxsid: DTXSID80183542
formula: C23H41B1O3
inchikey: HVQKGGXARPLXIR-UHFFFAOYSA-N
norman_susdat_id: NS00028661
pubchem_cid: 76232
smiles: CCCCOB(OCCCC)Oc1c(cc(C)cc1C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C23H41BO3/c1-10-12-14-25-24(26-15-13-11-2)27-21-19(22(4,5)6)16-18(3)17-20(21)23(7,8)9/h16-17H,10-15H2,1-9H3


name: Tridecyl phosphite
cas: 2929-86-4
dtxsid: DTXSID90863060
formula: C30H63O3P
inchikey: QQBLOZGVRHAYGT-UHFFFAOYSA-N
norman_susdat_id: NS00049017
pubchem_cid: 76233
smiles: O(P(OCCCCCCCCCC)OCCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C30H63O3P/c1-4-7-10-13-16-19-22-25-28-31-34(32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3


name: Zinc bis(O,O-diisopropyl) bis(dithiophosphate)
cas: 2929-95-5
formula: C6H15O2PS2.1/2Zn
inchikey: CVDZJQFKUVADND-UHFFFAOYSA-L
norman_susdat_id: NS00083419
smiles: CC(C)OP(=S)(OC(C)C)S[Zn]SP(=S)(OC(C)C)OC(C)C
inchi:
InChI=1/2C6H15O2PS2.Zn/c2*1-5(2)7-9(10,11)8-6(3)4;/h2*5-6H,1-4H3,(H,10,11);/q;;+2/p-2/rC12H28O4P2S4Zn/c1-9(2)13-17(19,14-10(3)4)21-23-22-18(20,15-11(5)6)16-12(7)8/h9-12H,1-8H3


name: Calcium bis[didodecylbenzenesulphonate]
cas: 29299-35-2
formula: C30H54O3S.1/2Ca
inchikey: BCBMWLMZWGMGOM-UHFFFAOYSA-L
norman_susdat_id: NS00084089
inchi:
InChI=1/2C30H54O3S.Ca/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+2/p-2

smiles:
[Ca+2].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-]


name: 3-ß-iodocholest-5-ene
cas: 2930-80-5
dtxsid: DTXSID30951874
formula: C27H45I
inchikey: PMVJGSYGUZXDAR-DPAQBDIFSA-N
norman_susdat_id: NS00049496
pubchem_cid: 102350
smiles: IC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C27H45I/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3


name: 3-[(aminocarbonyl)amino]propyltrimethylammonium methyl sulphate
cas: 29311-68-0
dtxsid: DTXSID30183557
formula: C7H18N3O
inchikey: ZMYSOCZREZAKMT-UHFFFAOYSA-N
norman_susdat_id: NS00049008
pubchem_cid: 3015460
smiles: O=C(N)NCCC[N+](C)(C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C7H17N3O.CH4O4S/c1-10(2,3)6-4-5-9-7(8)11;1-5-6(2,3)4/h4-6H2,1-3H3,(H2-,8,9,11);1H3,(H,2,3,4)


name: 1,4-bis[(3-chloro-2-hydroxypropyl)amino]anthraquinone
cas: 29311-94-2
dtxsid: DTXSID80884668
formula: C20H20Cl2N2O4
inchikey: SYZOCKFTUCTLFQ-UHFFFAOYSA-N
norman_susdat_id: NS00049599
pubchem_cid: 121809
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCC(O)CCl)C13)NCC(O)CCl
inchi:
InChI=1/C20H20Cl2N2O4/c21-7-11(25)9-23-15-5-6-16(24-10-12(26)8-22)18-17(15)19(27)13-3-1-2-4-14(13)20(18)28/h1-6,11-12,23-26H,7-10H2


name: Benzenamine, 4-(2,6-diphenyl-4-pyridinyl)-N,N-dimethyl-
cas: 29312-59-2
chemspiderid: 84072
dtxsid: DTXSID7067453
formula: C25H22N2
inchikey: NWKIYBPNACDLOB-UHFFFAOYSA-N
norman_susdat_id: NS00028663
pubchem_cid: 93126
smiles: CN(C)c1ccc(cc1)c1cc(nc(c1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H22N2/c1-27(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)26-25(18-22)21-11-7-4-8-12-21/h3-18H,1-2H3


name: Phosphoric acid, isooctyl diphenyl ester
cas: 29319-57-1
chemspiderid: 107090
dtxsid: DTXSID7067455
formula: C20H27O4P1
inchikey: RCRYBQKHEDNBDN-UHFFFAOYSA-N
norman_susdat_id: NS00021996
pubchem_cid: 121811
smiles: CC(C)CCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C20H27O4P/c1-18(2)12-6-5-11-17-22-25(21,23-19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3


name: Cyanomethyl
cas: 2932-82-3
dtxsid: DTXSID20183561
formula: C31H39F2NO6
inchikey: WUBKGTSFJSEIEM-NSHBDUGJSA-N
norman_susdat_id: NS00070353
inchi:
InChI=1S/C31H39F2NO6/c1-16-12-18-19-14-21(32)20-13-17(35)8-9-28(20,6)30(19,33)22(36)15-29(18,7)31(16,25(38)39-11-10-34)40-24(37)23-26(2,3)27(23,4)5/h8-9,13,16,18-19,21-23,36H,11-12,14-15H2,1-7H3/t16-,18+,19+,21+,22+,28+,29+,30+,31+/m1/s1

smiles:
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1C(C)(C)C1(C)C)C(=O)OCC#N


name: 5-Phospho-α-D-ribose 1-diphosphate
cas: 29321-99-1
chebiid: CHEBI:17111
chemspiderid: 7062
formula: C5H13O14P3
inchikey: PQGCEDQWHSBAJP-TXICZTDVSA-N
norman_susdat_id: NS00014761
pubchem_cid: 7339
smiles: O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
inchi:
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1


cas: 29329-88-2
formula: C30H28N5.C7H7O3S
inchikey: RFQAAUHMUSZNFK-RZLHGTIFSA-N
norman_susdat_id: NS00084090
smiles: CCN1C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)[NH+](CC)c5nc6ccccc6nc15.Cc7ccc(cc7)S(=O)(=O)[O-]
name:
1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate

inchi:
InChI=1/C30H29N5.C7H8O3S/c1-4-34-27(35(5-2)30-29(34)31-24-16-10-11-17-25(24)32-30)20-19-23-22-15-9-12-18-26(22)33(3)28(23)21-13-7-6-8-14-21;1-6-2-4-7(5-3-6)11(8,9)10/h6-20,27H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)


name: 2-[2-(1,2-diphenyl-1H-indol-3-yl)vinyl]-1,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridinium perchlorate
cas: 29330-29-8
formula: C32H28N3.ClO4
inchikey: ZPMURFGDZAMKLO-UHFFFAOYSA-M
norman_susdat_id: NS00084091
smiles: C[N+]1=C(\C=C\c2c(c3ccccc3)n(c4ccccc4)c5ccccc25)C(C)(C)c6cccnc16.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C32H28N3.ClHO4/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23;2-1(3,4)5/h4-22H,1-3H3;(H,2,3,4,5)/q+1;/p-1


name: 1-(2,5-dichlorophenyl)-3-methyl-4-[(o-nitrophenyl)azo]-2-pyrazolin-5-one
cas: 29330-49-2
dtxsid: DTXSID40884669
formula: C16H12Cl2N5O3
inchikey: GUOHODXWACDJHL-UHFFFAOYSA-N
norman_susdat_id: NS00049600
pubchem_cid: 121814
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=CC2[N+](=O)[O-])C3=CC(Cl)=CC=C3Cl
inchi:
InChI=1/C16H11Cl2N5O3/c1-9-15(20-19-12-4-2-3-5-13(12)23(25)26)16(24)22(21-9)14-8-10(17)6-7-11(14)18/h2-8,15H,1H3


name: 10-hydroxycarbazepine
cas: 29331-92-8
chebiid: CHEBI:701
chemspiderid: 102704
dtxsid: DTXSID50865484
formula: C15H14N2O2
inchikey: BMPDWHIDQYTSHX-UHFFFAOYSA-N
norman_susdat_id: NS00010437
pubchem_cid: 114709
smiles: C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
inchi:
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)


name: (Z)-N-(carboxymethyl)-N-(1-oxo-9-octadecenyl)glycine
cas: 29332-74-9
formula: C22H39NO5
inchikey: NOYJVHLJXVQHFO-KTKRTIGZSA-N
norman_susdat_id: NS00050342
pubchem_cid: 6438300
smiles: O=C(O)CN(C(=O)CCCCCCCC=CCCCCCCCC)CC(=O)O
inchi:
InChI=1/C22H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)23(18-21(25)26)19-22(27)28/h9-10H,2-8,11-19H2,1H3,(H,25,26)(H,27,28)


name: 3-[(5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)azo]phenyl dimethylsulfamate
cas: 29333-57-1
chemspiderid: 7851209
dtxsid: DTXSID7067457
formula: C16H17N5O5S1
inchikey: WNHCFYIFWSOSMQ-UHFFFAOYSA-N
norman_susdat_id: NS00028668
pubchem_cid: NA
smiles: CN(C)S(=O)(=O)Oc1cccc(N/N=C/2C(=C(C#N)C(=O)N(C)C2=O)C)c1
inchi:
InChI=1S/C16H17N5O5S/c1-10-13(9-17)15(22)21(4)16(23)14(10)19-18-11-6-5-7-12(8-11)26-27(24,25)20(2)3/h5-8,18H,1-4H3/b19-14+


name: Sulmarin
cas: 29334-07-4
chebiid: CHEBI:135485
chemspiderid: 13357
dtxsid: DTXSID10183570
formula: C10H8O10S2
inchikey: SZNQDPUZKFSCNG-UHFFFAOYSA-N
norman_susdat_id: NS00028669
pubchem_cid: 13963
smiles: Cc1cc(=O)oc2c1cc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2
inchi:
InChI=1S/C10H8O10S2/c1-5-2-10(11)18-7-4-9(20-22(15,16)17)8(3-6(5)7)19-21(12,13)14/h2-4H,1H3,(H,12,13,14)(H,15,16,17)


name: 3-[[[4-[(2-furoyl)amino]-3-hydroxyphenyl]amino]carbonyl]nonadec-5-enoic acid
cas: 29337-98-2
formula: C31H44N2O6
inchikey: LWPNEFYVMBUAID-UHFFFAOYSA-N
norman_susdat_id: NS00049601
pubchem_cid: 121817
smiles: O=C(O)CC(C(=O)NC1=CC=C(NC(=O)C=2OC=CC2)C(O)=C1)CC=CCCCCCCCCCCCCC
inchi:
InChI=1/C31H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24(22-29(35)36)30(37)32-25-19-20-26(27(34)23-25)33-31(38)28-18-16-21-39-28/h14-16,18-21,23-24,34H,2-13,17,22H2,1H3,(H,32,37)(H,33,38)(H,35,36)


name: 2,2',2''-nitrilotriethanol citrate
cas: 29340-81-6
dtxsid: DTXSID7067459
formula: C6H15NO3.xC6H8O7
inchikey: QHXBZNOJMIQGER-UHFFFAOYSA-N
norman_susdat_id: NS00083765
smiles: OCCN(CCO)CCO.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C6H15NO3.C6H8O7/c8-4-1-7(2-5-9)3-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-10H,1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: (3-chloro-2,6-dimethoxyphenyl)(ethoxyimino)methyl benzoate
cas: 29356-13-6
chemspiderid: 4520747
dtxsid: DTXSID00418661
formula: C18H18ClNO5
inchikey: BZMIHNKNQJJVRO-LVZFUZTISA-N
norman_susdat_id: NS00101036
pubchem_cid: 5369793
smiles: CCO/N=C(c1c(ccc(c1OC)Cl)OC)/OC(=O)c2ccccc2
inchi:
InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3/b20-17+


name: Perfluorononanesulfonate potassium
cas: 29359-39-5
dtxsid: DTXSID60881357
formula: C9F19KO3S
inchikey: JKRSXXMYEXETTL-UHFFFAOYSA-M
norman_susdat_id: NS00110935
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9HF19O3S.K/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31;/h(H,29,30,31);/q;+1/p-1


name: T0901317
cas: 293754-55-9
dtxsid: DTXSID6040618
formula: C17H12F9NO3S
inchikey: SGIWFELWJPNFDH-UHFFFAOYSA-N
norman_susdat_id: NS00068651
pubchem_cid: 447912
smiles: O=S(=O)(c1ccccc1)N(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
inchi:
InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2


name: 3-nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide
cas: 293763-02-7
formula: C10H11N3O5S
inchikey: FPCPYSKJIRSWIG-UHFFFAOYSA-N
norman_susdat_id: NS00069752
pubchem_cid: 3092847
smiles: NS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1
inchi:
InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18)


name: 4-anilino-2-methoxybenzenediazonium sulphate (2:1)
cas: 29377-89-7
formula: C13H12N3O.1/2O4S
inchikey: GURASQVBMXLPMC-UHFFFAOYSA-L
norman_susdat_id: NS00084122
smiles: COc1cc(Nc2ccccc2)ccc1[N+]#N.COc3cc(Nc4ccccc4)ccc3[N+]#N.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C13H12N3O.H2O4S/c2*1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2*2-9,15H,1H3;(H2,1,2,3,4)/q2*+1;/p-2


name: Secoisolariciresinol
cas: 29388-59-8
chebiid: CHEBI:65004
chemspiderid: 58845
dtxsid: DTXSID50183615
formula: C20H26O6
inchikey: PUETUDUXMCLALY-HOTGVXAUSA-N
norman_susdat_id: NS00028683
pubchem_cid: 65373
smiles: COc1cc(C[C@@H](CO)[C@H](CO)Cc2cc(OC)c(O)cc2)ccc1O
inchi:
InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1


name: 2-[(ethoxycarbonyl)methylamino]-4-(ethylthio)-5-methoxybenzenediazonium hydrogen sulphate
cas: 29389-51-3
dtxsid: DTXSID60951923
formula: C13H18N3O3S
inchikey: DLIAXBMFKXMGPL-UHFFFAOYSA-L
norman_susdat_id: NS00050392
pubchem_cid: NA
smiles: N#[N+]C=1C=C(OC)C(SCC)=CC1NCC(=O)OCC.O=S(=O)([O-])[O-]
inchi:
InChI=1/C13H18N3O3S.H2O4S/c1-4-19-13(17)8-15-9-7-12(20-5-2)11(18-3)6-10(9)16-14;1-5(2,3)4/h6-7,15H,4-5,8H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2


name: 10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenzo[a,d]cyclohepten-5-ol
cas: 2939-66-4
dtxsid: DTXSID20951924
formula: C19H23NO
inchikey: VGYXEZXCFKVWAP-UHFFFAOYSA-N
norman_susdat_id: NS00049144
pubchem_cid: 76249
smiles: OC1(C=2C=CC=CC2CCC=3C=CC=CC31)CCCNC
inchi:
InChI=1/C19H23NO/c1-20-14-6-13-19(21)17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)19/h2-5,7-10,20-21H,6,11-14H2,1H3


name: [R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl morpholine-4-acetate
cas: 29391-80-8
dtxsid: DTXSID40951926
formula: C17H21Cl2N3O7
inchikey: GTKMFTZKVBNTSR-UHFFFAOYSA-N
norman_susdat_id: NS00050393
pubchem_cid: NA
smiles: O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O)CN2CCOCC2
inchi:
InChI=1/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-29-14(23)9-21-5-7-28-8-6-21)15(24)11-1-3-12(4-2-11)22(26)27/h1-4,13,15-16,24H,5-10H2,(H,20,25)


name: Bacilysin
cas: 29393-20-2
chemspiderid: 9076928
dtxsid: DTXSID70183617
formula: C12H18N2O5
inchikey: XFOUAXMJRHNTOP-ZABDLSDTSA-N
norman_susdat_id: NS00011806
pubchem_cid: 91820594
smiles: C[C@@H](C(=O)N[C@@H](C[C@H]1CCC(=O)[C@H]2[C@@H]1O2)C(=O)O)N
inchi:
InChI=1S/C12H18N2O5/c1-5(13)11(16)14-7(12(17)18)4-6-2-3-8(15)10-9(6)19-10/h5-7,9-10H,2-4,13H2,1H3,(H,14,16)(H,17,18)/t5-,6+,7-,9+,10-/m0/s1


name: Tris(2-hydroxyethyl)sulphonium stearate
cas: 29398-82-1
formula: C18H35O2.C6H15O3S
inchikey: RLAAQIIKPXWKPU-UHFFFAOYSA-M
norman_susdat_id: NS00083766
smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[S+](CCO)CCO
inchi:
InChI=1/C18H36O2.C6H15O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-1-4-10(5-2-8)6-3-9/h2-17H2,1H3,(H,19,20);7-9H,1-6H2/q;+1/p-1


name: [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(2,4-dinitrophenyl)-3,3'-dimethoxy-
cas: 29398-96-7
chemspiderid: 4589039
dtxsid: DTXSID6067464
formula: C26H20N6O10
inchikey: JIHCTUPQGPSRBD-UHFFFAOYSA-N
norman_susdat_id: NS00020071
pubchem_cid: 5486733
smiles: COc1cc(ccc1Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])c1cc(OC)c(Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])cc1
inchi:
InChI=1S/C26H20N6O10/c1-41-25-11-15(3-7-21(25)27-19-9-5-17(29(33)34)13-23(19)31(37)38)16-4-8-22(26(12-16)42-2)28-20-10-6-18(30(35)36)14-24(20)32(39)40/h3-14,27-28H,1-2H3


name: Bis(2-ethylhexyl) 2-hydroxyethyl phosphate
cas: 29398-98-9
dtxsid: DTXSID90951931
formula: C18H39O5P
inchikey: GFQMBVPKXZQUHJ-UHFFFAOYSA-N
norman_susdat_id: NS00050394
pubchem_cid: 122368
smiles: O=P(OCCO)(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1/C18H39O5P/c1-5-9-11-17(7-3)15-22-24(20,21-14-13-19)23-16-18(8-4)12-10-6-2/h17-19H,5-16H2,1-4H3


name: Helvolic acid
cas: 29400-42-8
chebiid: CHEBI:62460
formula: C33H44O8
inchikey: MDFZYGLOIJNNRM-OAJDADRGSA-N
norman_susdat_id: NS00097267
inchi:
InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1

smiles:
C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)C)OC(=O)C


name: Decanoic acid, compound with dibutylamine (1:1)
cas: 29425-97-6
formula: C10H20O2.C8H19N
inchikey: KFGVBFAJGJHUFK-UHFFFAOYSA-N
norman_susdat_id: NS00083771
smiles: CCCCCCCCCC(=O)O.CCCCNCCCC
inchi:
InChI=1/C10H20O2.C8H19N/c1-2-3-4-5-6-7-8-9-10(11)12;1-3-5-7-9-8-6-4-2/h2-9H2,1H3,(H,11,12);9H,3-8H2,1-2H3


cas: 29426-52-6
chemspiderid: 109111
dtxsid: DTXSID6067466
formula: C22H26N4O8S1
inchikey: AGNWOVTXIOJMKI-UHFFFAOYSA-N
norman_susdat_id: NS00028693
pubchem_cid: 122374
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)C
name:
Ethanol, 2,2'-[[3-methyl-4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]imino]bis-, diacetate (ester)

inchi:
InChI=1S/C22H26N4O8S/c1-15-13-18(25(9-11-33-16(2)27)10-12-34-17(3)28)5-7-20(15)23-24-21-8-6-19(26(29)30)14-22(21)35(4,31)32/h5-8,13-14H,9-12H2,1-4H3/b24-23+


name: 17ß-hydroxyandrost-4-en-3-one octanoate
cas: 29430-22-6
dtxsid: DTXSID50951952
formula: C27H42O3
inchikey: KCQOWSKVHVGCCF-ZLQWOROUSA-N
norman_susdat_id: NS00050415
pubchem_cid: 10251244
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)CCCCCCC
inchi:
InChI=1/C27H42O3/c1-4-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-18-20(28)14-16-26(19,2)23(21)15-17-27(22,24)3/h18,21-24H,4-17H2,1-3H3


name: 17ß-hydroxyandrost-4-en-3-one undecenoate
cas: 29430-26-0
dtxsid: DTXSID10951953
formula: C30H46O3
inchikey: UKXTYROVWMZNKE-CNQKSJKFSA-N
norman_susdat_id: NS00049686
pubchem_cid: NA
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C=CCCCCCCCC
inchi:
InChI=1/C30H46O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h11-12,21,24-27H,4-10,13-20H2,1-3H3


name: Hexadecyl hydrogen maleate
cas: 2944-06-1
formula: C20H36O4
inchikey: YXIQOXQGELPIFQ-MSUUIHNZSA-N
norman_susdat_id: NS00048519
pubchem_cid: 6912882
smiles: O=C(O)C=CC(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22/h16-17H,2-15,18H2,1H3,(H,21,22)


name: 1,4-bis(phenylamino)anthraquinone
cas: 2944-12-9
dtxsid: DTXSID4062729
formula: C26H18N2O2
inchikey: YXMPVZQSOHSEJA-UHFFFAOYSA-N
norman_susdat_id: NS00049145
pubchem_cid: 76263
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC=4C=CC=CC4)C13)NC=5C=CC=CC5
inchi:
InChI=1/C26H18N2O2/c29-25-19-13-7-8-14-20(19)26(30)24-22(28-18-11-5-2-6-12-18)16-15-21(23(24)25)27-17-9-3-1-4-10-17/h1-16,27-28H


name: 9,10-Anthracenedione, 1-[(4-methylphenyl)amino]-
cas: 2944-19-6
chemspiderid: 68743
dtxsid: DTXSID3062730
formula: C21H15N1O2
inchikey: LMJVMVCQHQVJDB-UHFFFAOYSA-N
norman_susdat_id: NS00028696
pubchem_cid: 76264
smiles: Cc1ccc(Nc2cccc3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C21H15NO2/c1-13-9-11-14(12-10-13)22-18-8-4-7-17-19(18)21(24)16-6-3-2-5-15(16)20(17)23/h2-12,22H,1H3


name: 9,10-Anthracenedione, 1-(phenylamino)-
cas: 2944-28-7
chemspiderid: 68746
dtxsid: DTXSID8062733
formula: C20H13N1O2
inchikey: XRIGHGYEGNDPEU-UHFFFAOYSA-N
norman_susdat_id: NS00020072
pubchem_cid: 76267
smiles: O=C1c2c(cccc2)C(=O)c2c1cccc2Nc1ccccc1
inchi:
InChI=1S/C20H13NO2/c22-19-14-9-4-5-10-15(14)20(23)18-16(19)11-6-12-17(18)21-13-7-2-1-3-8-13/h1-12,21H


name: 9,10-Anthracenedione, 1,4-bis[(4-methoxyphenyl)amino]-
cas: 2944-30-1
chemspiderid: 68747
dtxsid: DTXSID3062734
formula: C28H22N2O4
inchikey: GCKWKXLBKRJDAE-UHFFFAOYSA-N
norman_susdat_id: NS00028697
pubchem_cid: 76268
smiles: COc1ccc(Nc2ccc(Nc3ccc(OC)cc3)c3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C28H22N2O4/c1-33-19-11-7-17(8-12-19)29-23-15-16-24(30-18-9-13-20(34-2)14-10-18)26-25(23)27(31)21-5-3-4-6-22(21)28(26)32/h3-16,29-30H,1-2H3


name: Testosterone-6a-hydroxy
cas: 2944-87-8
chemspiderid: 10337030
dtxsid: DTXSID10477022
formula: C19H28O3
inchikey: XSEGWEUVSZRCBC-QXROXWLYSA-N
norman_susdat_id: NS00100982
pubchem_cid: 12073407
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=CC(=O)CC[C@]34C)O
inchi:
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1


name: Sodium 6-amino-3-[[4-[(4-aminophenyl)azo]-4-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 2945-96-2
dtxsid: DTXSID90883541
formula: C24H24N6O5S
inchikey: VDGVFCUGCYHUSO-UHFFFAOYSA-M
norman_susdat_id: NS00048605
pubchem_cid: 135570815
smiles: [Na+].O=S(=O)([O-])C=1C=C2C=CC(N)=CC2=C(O)C1N=NC3C=CC(N=NC4=CC=C(N)C=C4)(OC)C(=C3)C
inchi:
InChI=1/C24H24N6O5S.Na/c1-14-11-19(9-10-24(14,35-2)30-28-18-7-5-16(25)6-8-18)27-29-22-21(36(32,33)34)12-15-3-4-17(26)13-20(15)23(22)31;/h3-13,19,31H,25-26H2,1-2H3,(H,32,33,34);/q;+1/p-1


name: MCPA-2-ethylhexyl
cas: 29450-45-1
chemspiderid: 84074
dtxsid: DTXSID5034698
formula: C17H25Cl1O3
inchikey: IDGRPSMONFWWEK-UHFFFAOYSA-N
norman_susdat_id: NS00005007
pubchem_cid: 93128
smiles: CCCCC(CC)COC(=O)COc1ccc(Cl)cc1C
inchi:
InChI=1S/C17H25ClO3/c1-4-6-7-14(5-2)11-21-17(19)12-20-16-9-8-15(18)10-13(16)3/h8-10,14H,4-7,11-12H2,1-3H3


name: 2-Amino-4-benzamidobenzenesulphonic acid
cas: 29452-72-0
chemspiderid: 107120
dtxsid: DTXSID60183661
formula: C13H12N2O4S1
inchikey: DUOCAITVQWIVJB-UHFFFAOYSA-N
norman_susdat_id: NS00028705
pubchem_cid: 122381
smiles: Nc1c(ccc(NC(=O)c2ccccc2)c1)S(=O)(=O)O
inchi:
InChI=1S/C13H12N2O4S/c14-11-8-10(6-7-12(11)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19)


name: 1-methyl hydrogen 2-sulphonatotetradecanoate
cas: 29454-23-7
dtxsid: DTXSID00885450
formula: C15H30O5S
inchikey: ZABKDTYOFYRFCI-UHFFFAOYSA-N
norman_susdat_id: NS00049725
pubchem_cid: 19924
smiles: O=C(OC)C(CCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C15H30O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14(15(16)20-2)21(17,18)19/h14H,3-13H2,1-2H3,(H,17,18,19)


name: Tributyl(undec-10-enoyloxy)stannane
cas: 29457-48-5
dtxsid: DTXSID80183663
formula: C23H46O2Sn
inchikey: XEMFLPGDKXELSO-UHFFFAOYSA-M
norman_susdat_id: NS00050464
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCCCCCC=C
inchi:
InChI=1/C11H20O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-3-4-2;/h2H,1,3-10H2,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC23H46O2Sn/c1-5-9-13-14-15-16-17-18-19-23(24)25-26(20-10-6-2,21-11-7-3)22-12-8-4/h5H,1,6-22H2,2-4H3


name: Lithium heptadecafluorooctanesulphonate
cas: 29457-72-5
formula: C8HF17O3S.Li
inchikey: XVCUGNWRDDNCRD-UHFFFAOYSA-M
norman_susdat_id: NS00083793
smiles: [Li+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF17O3S.Li/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1


name: Potassium 2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptanoate
cas: 29457-73-6
dtxsid: DTXSID50896652
formula: C8F15KO2
inchikey: IFOMXPLNQLERFR-UHFFFAOYSA-M
norman_susdat_id: NS00110813
smiles: [K+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.K/c9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23;/h(H,24,25);/q;+1/p-1


name: 8-bromoadenosine
cas: 2946-39-6
chebiid: CHEBI:2312
formula: C10H12BrN5O4
inchikey: VJUPMOPLUQHMLE-UUOKFMHZSA-N
norman_susdat_id: NS00049146
pubchem_cid: 96544
smiles: BrC1=NC=2C(=NC=NC2N1C3OC(CO)C(O)C3O)N
inchi:
InChI=1/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)


name: Acetic acid, sulfo-, 1-tetradecyl ester, sodium salt
cas: 29462-73-5
chemspiderid: 109121
dtxsid: DTXSID5067473
formula: C16H32O5S1
inchikey: IIJXVXYJSCOOAR-UHFFFAOYSA-M
norman_susdat_id: NS00028708
pubchem_cid: 23687238
smiles: [Na+].CCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]
inchi:
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16(17)15-22(18,19)20/h2-15H2,1H3,(H,18,19,20)


name: Acetic acid, sulfo-, 1-hexadecyl ester, sodium salt
cas: 29462-74-6
chemspiderid: 109123
dtxsid: DTXSID0067474
formula: C18H36O5S1
inchikey: YSDHJRVISXLHKX-UHFFFAOYSA-M
norman_susdat_id: NS00028709
pubchem_cid: 23687239
smiles: [Na+].CCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)[O-]
inchi:
InChI=1S/C18H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18(19)17-24(20,21)22/h2-17H2,1H3,(H,20,21,22)


name: Trisodium pentahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 29462-95-1
formula: C6H20N2O12P4.3Na
inchikey: ZWDUAVFAIODICW-UHFFFAOYSA-F
norman_susdat_id: NS00083403
smiles: [Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H20N2O12P4.3Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;/q;3*+1/p-8


cas: 29476-87-7
formula: C20H20N2O14S4
inchikey: YQBOWOWUYDBPPK-UHFFFAOYSA-N
norman_susdat_id: NS00050345
pubchem_cid: 122393
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC(OC)=C(N=NC2=C(O)C3=CC=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)C=C1C
name:
4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C20H20N2O14S4/c1-11-7-15(16(35-2)10-17(11)37(24,25)6-5-36-40(32,33)34)21-22-19-18(39(29,30)31)9-12-8-13(38(26,27)28)3-4-14(12)20(19)23/h3-4,7-10,23H,5-6H2,1-2H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)


name: Narciclasine
cas: 29477-83-6
chebiid: CHEBI:70169
chemspiderid: 65310
dtxsid: DTXSID70183677
formula: C14H13NO7
inchikey: LZAZURSABQIKGB-AEKGRLRDSA-N
norman_susdat_id: NS00094773
pubchem_cid: 72376
smiles: O[C@H]1C=C2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1


name: 2-((Methylthio)methyl)-1H-benzimidazole-5-sulphonic acid
cas: 29490-03-7
chemspiderid: 109130
dtxsid: DTXSID70183692
formula: C9H10N2O3S2
inchikey: BLKZOCKYCALVQP-UHFFFAOYSA-N
norman_susdat_id: NS00028714
pubchem_cid: 122394
smiles: CSCc1nc2c([nH]1)cc(cc2)S(=O)(=O)O
inchi:
InChI=1S/C9H10N2O3S2/c1-15-5-9-10-7-3-2-6(16(12,13)14)4-8(7)11-9/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14)


name: 2-((2-(Ethylthio)ethyl)thio)-1H-benzimidazole-5-sulphonic acid
cas: 29490-12-8
chemspiderid: 109131
dtxsid: DTXSID30183693
formula: C11H14N2O3S3
inchikey: UJPJKGTWFDTGSN-UHFFFAOYSA-N
norman_susdat_id: NS00028715
pubchem_cid: 122395
smiles: CCSCCSc1nc2c([nH]1)cc(cc2)S(=O)(=O)O
inchi:
InChI=1S/C11H14N2O3S3/c1-2-17-5-6-18-11-12-9-4-3-8(19(14,15)16)7-10(9)13-11/h3-4,7H,2,5-6H2,1H3,(H,12,13)(H,14,15,16)


name: 3-methoxybutyl 11,11-dibutyl-3-methyl-7-oxo-2,6-dioxa-10,12-dithia-11-stannapentadecan-15-oate
cas: 29492-49-7
formula: C24H48O6S2Sn
inchikey: QNBASXQVTGSILU-UHFFFAOYSA-L
norman_susdat_id: NS00049627
pubchem_cid: NA
smiles: O=C(OCCC(OC)C)CCS[Sn](SCCC(=O)OCCC(OC)C)(CCCC)CCCC
inchi:
InChI=1/2C8H16O3S.2C4H9.Sn/c2*1-7(10-2)3-5-11-8(9)4-6-12;2*1-3-4-2;/h2*7,12H,3-6H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H48O6S2Sn/c1-7-9-19-33(20-10-8-2,31-17-13-23(25)29-15-11-21(3)27-5)32-18-14-24(26)30-16-12-22(4)28-6/h21-22H,7-20H2,1-6H3


name: 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
cas: 29508-47-2
formula: C18H21N6.Cl
inchikey: MNURCQLKHIJLGI-UHFFFAOYSA-N
norman_susdat_id: NS00083746
smiles: [Cl-].CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2
inchi:
InChI=1/C18H22N6.ClH/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;/h4-12,14,18H,13H2,1-3H3;1H


name: 6'-(diethylamino)-2'-(phenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 29512-46-7
dtxsid: DTXSID60952016
formula: C30H26N2O3
inchikey: SVTBGPICDZDBFU-UHFFFAOYSA-N
norman_susdat_id: NS00049618
pubchem_cid: 122401
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC=5C=CC=CC5)N(CC)CC)C=6C=CC=CC16
inchi:
InChI=1/C30H26N2O3/c1-3-32(4-2)22-15-16-25-28(19-22)34-27-17-14-21(31-20-10-6-5-7-11-20)18-26(27)30(25)24-13-9-8-12-23(24)29(33)35-30/h5-19,31H,3-4H2,1-2H3


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-
cas: 29512-49-0
chemspiderid: 109136
dtxsid: DTXSID0029347
formula: C31H28N2O3
inchikey: WQFYAGVHZYFXDO-UHFFFAOYNA-N
norman_susdat_id: NS00022003
pubchem_cid: NA
smiles: CCN(CC)c1cc2c(cc1)C1(OC(=O)c3ccccc13)c1c(O2)cc(C)c(Nc2ccccc2)c1
inchi:
InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3/t31-/m1/s1


name: 2-methyl-1,4-naphthylene bis(hydrogen sulphate)
cas: 29520-22-7
formula: C11H10O8S2
inchikey: JYJGXBHAXCGVHV-UHFFFAOYSA-N
norman_susdat_id: NS00083747
smiles: Cc1cc(OS(=O)(=O)O)c2ccccc2c1OS(=O)(=O)O
inchi:
InChI=1/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)


name: 7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1)
cas: 29520-57-8
dtxsid: DTXSID70952022
formula: C19H24N3O
inchikey: SFKSAYJLPMBFQH-UHFFFAOYSA-J
norman_susdat_id: NS00049628
pubchem_cid: NA
inchi:
InChI=1/2C19H24N3O.4ClH.Zn/c2*1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;;;;;/h2*8-12,20H,5-7H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C19H24N3O.Cl4Zn/c2*1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;1-5(2,3)4/h2*8-12,20H,5-7H2,1-4H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N=1C2=CC=C(C=C2[O+]=C3C=C(NCC)C(=CC13)C)N(CC)CC.N=1C2=CC=C(C=C2[O+]=C3C=C(NCC)C(=CC13)C)N(CC)CC


name: 2-[[(4-hydroxyphenyl)azo]phenyl]benzoic acid
cas: 29533-13-9
dtxsid: DTXSID70952027
formula: C19H14N2O3
inchikey: FCFAMZCFGQVAIR-UHFFFAOYSA-N
norman_susdat_id: NS00049629
pubchem_cid: 152989
smiles: O=C(O)C=1C=CC=CC1C=2C=CC=CC2N=NC3=CC=C(O)C=C3
inchi:
InChI=1/C19H14N2O3/c22-14-11-9-13(10-12-14)20-21-18-8-4-3-6-16(18)15-5-1-2-7-17(15)19(23)24/h1-12,22H,(H,23,24)


name: Ciclonium bromide
cas: 29546-59-6
dtxsid: DTXSID10952041
formula: C22H34NO
inchikey: BOCNKEKVCTZYIX-UHFFFAOYSA-M
norman_susdat_id: NS00049620
pubchem_cid: 34625
smiles: [Br-].O(CC[N+](C)(CC)CC)C(C=1C=CC=CC1)(C)C2CC3C=CC2C3
inchi:
InChI=1/C22H34NO.BrH/c1-5-23(4,6-2)14-15-24-22(3,20-10-8-7-9-11-20)21-17-18-12-13-19(21)16-18;/h7-13,18-19,21H,5-6,14-17H2,1-4H3;1H/q+1;/p-1


name: 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-benzo-1,4-diazepin-2-one 4-oxide
cas: 2955-37-5
dtxsid: DTXSID30952043
formula: C15H10Cl2N2O2
inchikey: OJDGPERBKOETAX-UHFFFAOYSA-N
norman_susdat_id: NS00049225
pubchem_cid: NA
smiles: O=C1NC=2C=CC(Cl)=CC2C(C=3C=CC=CC3Cl)=N(=O)C1
inchi:
InChI=1/C15H10Cl2N2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)


name: Prazepam
cas: 2955-38-6
chebiid: CHEBI:8362
chemspiderid: 4721
dtxsid: DTXSID4021181
formula: C19H17Cl1N2O1
inchikey: MWQCHHACWWAQLJ-UHFFFAOYSA-N
norman_susdat_id: NS00010420
pubchem_cid: 4890
smiles: C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
inchi:
InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2


name: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
cas: 29556-33-0
dtxsid: DTXSID90904366
formula: C22H25N3O2
inchikey: RRUHSLWJCISCOO-UHFFFAOYSA-N
norman_susdat_id: NS00049639
pubchem_cid: 21124752
smiles: [Cl-].O=C1OC=2C=C(C=CC2C=C1C3N(C=4C=CC=CC4[NH+]3C)C)N(CC)CC
inchi:
InChI=1/C22H25N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14,21H,5-6H2,1-4H3;1H


name: Uridine 5'-diphosphogalactose
cas: 2956-16-3
chebiid: CHEBI:67119
chemspiderid: 1133
formula: C15H24N2O17P2
inchikey: HSCJRCZFDFQWRP-ABVWGUQPSA-N
norman_susdat_id: NS00015113
pubchem_cid: 18068
smiles: O=C1C=C/N(C(=O)N1)C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3OC(C(O)C(O)C3O)CO
inchi:
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1


name: Sakuranetin
cas: 2957-21-3
chemspiderid: 66249
dtxsid: DTXSID10874774
formula: C16H14O5
inchikey: DJOJDHGQRNZXQQ-UHFFFAOYSA-N
norman_susdat_id: NS00015854
pubchem_cid: 348130
smiles: COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
inchi:
InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3


cas: 29570-58-9
dtxsid: DTXSID60865495
formula: C28H34O13
inchikey: MPIAGWXWVAHQBB-UHFFFAOYSA-N
norman_susdat_id: NS00050369
pubchem_cid: 122409
smiles: O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C
name:
2-[[3-[(1-oxoallyl)oxy]-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate

inchi:
InChI=1/C28H34O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-12H,1-6,13-20H2


name: Butyl 6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate
cas: 29575-02-8
formula: C32H56O8Sn
inchikey: GKOTWPKLOWTGAG-UHFFFAOYSA-L
norman_susdat_id: NS00049640
pubchem_cid: 53436171
smiles: O=C(OCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H12O4.2C8H17.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-5-7-8-6-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-5-9-13-15-17-19-27-41(28-20-18-16-14-10-6-2,39-31(35)23-21-29(33)37-25-11-7-3)40-32(36)24-22-30(34)38-26-12-8-4/h21-24H,5-20,25-28H2,1-4H3


name: 3,12-dioxo-5-ß-cholan-24-oic acid
cas: 2958-05-6
dtxsid: DTXSID70183753
formula: C24H36O4
inchikey: XNTYYYINMGRBQW-UHFFFAOYSA-N
norman_susdat_id: NS00049228
pubchem_cid: 543972
smiles: O=C(O)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(=O)C12C
inchi:
InChI=1/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-20H,4-13H2,1-3H3,(H,27,28)


name: Sodium dioctadecyl phosphate
cas: 2958-14-7
dtxsid: DTXSID70952062
formula: C36H75O4P
inchikey: JSMHQMIPUOPQLR-UHFFFAOYSA-M
norman_susdat_id: NS00047886
pubchem_cid: 76433
smiles: [Na+].O=P([O-])(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H75O4P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-36H2,1-2H3,(H,37,38);/q;+1/p-1


name: 1,4-Bis[(2-ethylhexyl)amino]-5,8-dihydroxyanthracene-9,10-dione
cas: 295800-70-3
chemspiderid: NA
dtxsid: DTXSID50630134
formula: C30H42N2O4
inchikey: HJPZLFBZKDXVOA-UHFFFAOYSA-N
norman_susdat_id: NS00008327
pubchem_cid: 23062166
smiles: CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
inchi:
InChI=1S/C30H42N2O4/c1-5-9-11-19(7-3)17-31-21-13-14-22(32-18-20(8-4)12-10-6-2)26-25(21)29(35)27-23(33)15-16-24(34)28(27)30(26)36/h13-16,19-20,31-34H,5-12,17-18H2,1-4H3


name: (S)-5-[(4-hydroxyphenyl)methyl]-3-phenyl-2-thioxoimidazolidin-4-one
cas: 29588-08-7
dtxsid: DTXSID70952067
formula: C16H14N2O2S
inchikey: LCFDDJINTNHAEQ-AWEZNQCLSA-N
norman_susdat_id: NS00049630
pubchem_cid: 738316
smiles: O=C1N(C=2C=CC=CC2)C(=S)NC1CC3=CC=C(O)C=C3
inchi:
InChI=1/C16H14N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H,17,21)


name: 2-phenylglutaric anhydride
cas: 2959-96-8
formula: C22H22O7
inchikey: XXUANHMBSGMEIZ-UHFFFAOYSA-N
norman_susdat_id: NS00049230
pubchem_cid: 21117140
smiles: O=C(O)CCC(C(=O)OC(=O)C(C=1C=CC=CC1)CCC(=O)O)C=2C=CC=CC2
inchi:
InChI=1/C22H22O7/c23-19(24)13-11-17(15-7-3-1-4-8-15)21(27)29-22(28)18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,24)(H,25,26)


name: Stearic acid, monoester with glycerol monopalmitate
cas: 29593-61-1
dtxsid: DTXSID40952074
formula: C37H72O5
inchikey: VYQDALBEQRZDPL-UHFFFAOYSA-N
norman_susdat_id: NS00052246
pubchem_cid: 122421
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3


name: Lead didocosanoate
cas: 29597-84-0
formula: C22H44O2.1/2Pb
inchikey: KJEHHZFAMCTZJD-UHFFFAOYSA-L
norman_susdat_id: NS00085214
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C22H44O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;;/h2*2-21H2,1H3,(H,23,24);;;/q;;+4;;/p-2/r2C22H44O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);1H2/q;;+4/p-2


cas: 29598-76-3
chemspiderid: 109154
dtxsid: DTXSID3027956
formula: C65H124O8S4
inchikey: VSVVZZQIUJXYQA-UHFFFAOYSA-N
norman_susdat_id: NS00020185
pubchem_cid: 122423
smiles: CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
name:
Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester

inchi:
InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3


name: M 306 alpha-hydroxytrimethoprim
cas: 29606-06-2
chemspiderid: 23218967
formula: C14H18N4O4
inchikey: ZQRSRBQVQNNQKD-UHFFFAOYSA-N
norman_susdat_id: NS00003521
pubchem_cid: 44362947
smiles: COc1cc(cc(OC)c1OC)C(O)c1cnc(N)nc1N
inchi:
InChI=1S/C14H18N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6,11,19H,1-3H3,(H4,15,16,17,18)


cas: 29608-49-9
chebiid: CHEBI:53779
formula: C26H29F2N7.2CH4O3S
inchikey: MRDBGMJEPGXQHJ-UHFFFAOYSA-N
norman_susdat_id: NS00085215
smiles: CS(=O)(=O)O.CS(=O)(=O)O.Fc1ccc(cc1)C(N2CCN(CC2)c3nc(NCC=C)nc(NCC=C)n3)c4ccc(F)cc4
name:
N,N'-diallyl-6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1,3,5-triazine-2,4-diamine dimethanesulphonate

inchi:
InChI=1/C26H29F2N7.2CH4O3S/c1-3-13-29-24-31-25(30-14-4-2)33-26(32-24)35-17-15-34(16-18-35)23(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;2*1-5(2,3)4/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33);2*1H3,(H,2,3,4)


name: Aflatoxicol
cas: 29611-03-8
chemspiderid: 4447420
dtxsid: DTXSID4020034
formula: C17H14O6
inchikey: WYIWLDSPNDMZIT-BTKFHORUSA-N
norman_susdat_id: NS00028733
pubchem_cid: 5284338
smiles: COc1c2c3c([C@@H](O)CC3)c(=O)oc2c2[C@@H]3C=CO[C@@H]3Oc2c1
inchi:
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8-9,17-18H,2-3H2,1H3/t8-,9-,17+/m0/s1


name: 3 beta,7 alpha,15 alpha-Trihydroxy-5-androsten-17-one
cas: 2963-69-1
chemspiderid: 24206726
formula: C19H28O4
inchikey: FTEHGIIZAGEILF-NSSDSGNWSA-N
norman_susdat_id: NS00011526
pubchem_cid: 45092605
smiles: C[C@]12CC[C@H](O)CC1=C[C@@H](O)[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3[C@@H](O)CC4=O
inchi:
InChI=1S/C19H28O4/c1-18-5-3-11(20)7-10(18)8-13(21)16-12(18)4-6-19(2)15(23)9-14(22)17(16)19/h8,11-14,16-17,20-22H,3-7,9H2,1-2H3/t11-,12-,13+,14-,16-,17-,18-,19+/m0/s1


name: Acetamide, N-[3-(cyclohexylamino)-4-methoxyphenyl]-
cas: 29633-64-5
chemspiderid: 109158
dtxsid: DTXSID9067483
formula: C15H22N2O2
inchikey: RDJIABSQIXFOFL-UHFFFAOYSA-N
norman_susdat_id: NS00028736
pubchem_cid: 122427
smiles: COc1ccc(NC(=O)C)cc1NC1CCCCC1
inchi:
InChI=1S/C15H22N2O2/c1-11(18)16-13-8-9-15(19-2)14(10-13)17-12-6-4-3-5-7-12/h8-10,12,17H,3-7H2,1-2H3,(H,16,18)


name: Acetamide, N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-(cyclohexylamino)-4-methoxyphenyl]-
cas: 29633-66-7
chemspiderid: 107166
dtxsid: DTXSID4067484
formula: C22H23N7O6
inchikey: LVVFYTOJHMICTN-UHFFFAOYSA-N
norman_susdat_id: NS00028737
pubchem_cid: 122428
smiles: COc1c(NC2CCCCC2)cc(NC(=O)C)c(c1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C22H23N7O6/c1-13(30)24-17-10-19(25-15-6-4-3-5-7-15)21(35-2)11-18(17)26-27-22-14(12-23)8-16(28(31)32)9-20(22)29(33)34/h8-11,15,25H,3-7H2,1-2H3,(H,24,30)/b27-26+


cas: 29636-46-2
formula: C23H24ClN2.NO3
inchikey: JCVMPRWRSFAMIT-UHFFFAOYSA-N
norman_susdat_id: NS00085504
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-][N+](=O)[O-]
name:
[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium nitrate

inchi:
InChI=1/C23H24ClN2.NO3/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;2-1(3)4/h5-16H,1-4H3;/q+1;-1


name: 1-ethyl-2-[[3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium
cas: 29637-13-6
formula: C23H25N2O3S2
inchikey: PLTCHVJRCUWJNU-UHFFFAOYSA-N
norman_susdat_id: NS00051904
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C(SC=2C=CC=CC21)=CC=3C=CC=4C=CC=CC4[N+]3CC
inchi:
InChI=1/C23H24N2O3S2/c1-3-24-19(13-12-18-8-4-5-9-20(18)24)16-23-25(15-14-17(2)30(26,27)28)21-10-6-7-11-22(21)29-23/h4-13,16-17H,3,14-15H2,1-2H3


name: 2-[(1-ethyl-2(1H)-quinolylidene)methyl]-1-(4-sulphonatobutyl)quinolinium
cas: 29637-14-7
dtxsid: DTXSID4067488
formula: C25H27N2O3S
inchikey: KJPXJAFAOHLARG-UHFFFAOYSA-N
norman_susdat_id: NS00052247
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCC[N+]1=C(C=CC=2C=CC=CC21)C=C3C=CC=4C=CC=CC4N3CC
inchi:
InChI=1/C25H26N2O3S/c1-2-26-22(15-13-20-9-3-5-11-24(20)26)19-23-16-14-21-10-4-6-12-25(21)27(23)17-7-8-18-31(28,29)30/h3-6,9-16,19H,2,7-8,17-18H2,1H3


cas: 29637-18-1
dtxsid: DTXSID40885459
formula: C26H23N3O4S2
inchikey: VFUBECKRASDZKT-UHFFFAOYSA-N
norman_susdat_id: NS00053159
pubchem_cid: 122434
smiles: O=C1C(C(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C)=C(C=C3SC=4C=CC=5C=CC=CC5C4N3CC)C
name:
4-[4-[2-(1-ethylnaphtho[1,2-d]thiazol-2(3H)-ylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C26H23N3O4S2/c1-4-28-23(34-22-14-9-18-7-5-6-8-21(18)25(22)28)15-16(2)24-17(3)27-29(26(24)30)19-10-12-20(13-11-19)35(31,32)33/h5-15H,4H2,1-3H3,(H,31,32,33)


name: Tetrasodium 7-[(1,8-dihydroxy-3,6-disulphonato-2-naphthyl)azo]naphthalene-1,3-disulphonate
cas: 29637-28-3
dtxsid: DTXSID9067489
formula: C20H14N2O14S4
inchikey: JNWGHPWKVDMXIB-UHFFFAOYSA-J
norman_susdat_id: NS00053160
pubchem_cid: 122436
inchi:
InChI=1/C20H14N2O14S4.4Na/c23-15-7-12(37(25,26)27)4-10-5-17(40(34,35)36)19(20(24)18(10)15)22-21-11-2-1-9-3-13(38(28,29)30)8-16(14(9)6-11)39(31,32)33;;;;/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C=2C(C1)=CC(=C(N=NC3=CC=C4C=C(C=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C2O)S(=O)(=O)[O-]


cas: 29637-29-4
chemspiderid: 4942790
dtxsid: DTXSID8067490
formula: C23H21N3O5S1
inchikey: ORAPKIMSYPKJRA-UHFFFAOYSA-N
norman_susdat_id: NS00028740
pubchem_cid: 122437
smiles: CCn1/c(=CC=CC=C/2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)/oc2ccccc12
name:
Benzenesulfonic acid, 4-[4-[4-(3-ethyl-2(3H)-benzoxazolylidene)-2-butenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C23H21N3O5S/c1-3-25-20-9-5-6-10-21(20)31-22(25)11-7-4-8-19-16(2)24-26(23(19)27)17-12-14-18(15-13-17)32(28,29)30/h4-15H,3H2,1-2H3,(H,28,29,30)/b7-4+,19-8-,22-11+


cas: 29637-52-3
dtxsid: DTXSID5029348
formula: C42H46N14O16S4
inchikey: BHMCWKHQTHVFST-MBCFVHIPSA-J
norman_susdat_id: NS00052249
pubchem_cid: 71436770
name:
Tetrasodium 4,4'-bis[[4-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(N)CCN(C=1N=C(N=C(N1)NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])NC4=NC(=NC(=N4)N(CCO)CCC(=O)N)NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-])CCO


cas: 29641-53-0
dtxsid: DTXSID40952110
formula: C17H18N6O2
inchikey: FJFKCKQUPJGLTM-UHFFFAOYSA-N
norman_susdat_id: NS00053161
pubchem_cid: 161639
smiles: O=C1OC=2C=C(C=CC2C=C1[NH+]3N=CN(C)C3)N4N=C(C(=N4)CC)C.O=S(=O)([O-])OC
name:
1-[7-(4-ethyl-5-methyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-1H-1,2,4-triazolium methyl sulphate

inchi:
InChI=1/C17H18N6O2.CH4O4S/c1-4-14-11(2)19-23(20-14)13-6-5-12-7-15(17(24)25-16(12)8-13)22-10-21(3)9-18-22;1-5-6(2,3)4/h5-9H,4,10H2,1-3H3;1H3,(H,2,3,4)


name: Acetamide, N-[5-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]ethylamino]-2-[(4-nitrophenyl)azo]phenyl]-
cas: 29649-48-7
chemspiderid: 109167
dtxsid: DTXSID8067492
formula: C22H24N6O5
inchikey: CZHGDRKVHVTOQZ-UHFFFAOYSA-N
norman_susdat_id: NS00028742
pubchem_cid: 122441
smiles: CCN(CCN1C(=O)CCC1=O)c1cc(NC(=O)C)c(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C22H24N6O5/c1-3-26(12-13-27-21(30)10-11-22(27)31)18-8-9-19(20(14-18)23-15(2)29)25-24-16-4-6-17(7-5-16)28(32)33/h4-9,14H,3,10-13H2,1-2H3,(H,23,29)


name: Bis(2-{ethyl[(perfluorooctyl)sulfonyl]amino}ethyl) hydrogen phosphate
cas: 2965-52-8
chemspiderid: 92451
dtxsid: DTXSID2062747
formula: C24H19F34N2O8P1S2
inchikey: BZZAKKWGRKFWJJ-UHFFFAOYSA-N
norman_susdat_id: NS00010958
pubchem_cid: 102352
inchi:
InChI=1S/C24H19F34N2O8PS2/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54/h3-8H2,1-2H3,(H,61,62)

smiles:
C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S](=O)(=O)N(CC)CCO[P](=O)(OCCN(CC)[S](C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)O[H]


name: (ethylbenzyl)hexadecyldimethylammonium chloride
cas: 29656-52-8
dtxsid: DTXSID00952116
formula: C27H50N
inchikey: JVEFNBPMJVTNHW-UHFFFAOYSA-M
norman_susdat_id: NS00052342
pubchem_cid: 15089657
smiles: [Cl-].C=1C=CC(=C(C1)CC)C[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H50N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-24-28(3,4)25-27-23-20-19-22-26(27)6-2;/h19-20,22-23H,5-18,21,24-25H2,1-4H3;1H/q+1;/p-1


name: Dodecenyl succinic acid hemiester
cas: 29658-97-7
chemspiderid: 21229642
dtxsid: DTXSID8041905
formula: C16H28O4
inchikey: GMVDOFFZBJOCCK-SDNWHVSQSA-N
norman_susdat_id: NS00019970
pubchem_cid: 15742972
smiles: CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)O
inchi:
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)/b12-11+/t14-/m1/s1


name: Phosphoric acid, dimethylphenyl diphenyl ester
cas: 29660-68-2
chemspiderid: 156201
dtxsid: DTXSID7075212
formula: C20H19O4P1
inchikey: FSBFENGFYVITPO-UHFFFAOYSA-N
norman_susdat_id: NS00028744
pubchem_cid: 179445
smiles: Cc1c(C)c(OP(=O)(Oc2ccccc2)Oc2ccccc2)ccc1
inchi:
InChI=1S/C20H19O4P/c1-16-10-9-15-20(17(16)2)24-25(21,22-18-11-5-3-6-12-18)23-19-13-7-4-8-14-19/h3-15H,1-2H3


name: (ethylbenzyl)dimethyloctadecylammonium chloride
cas: 29661-60-7
dtxsid: DTXSID10952122
formula: C29H54N
inchikey: JZKHSOKBYWQRPU-UHFFFAOYSA-M
norman_susdat_id: NS00052366
pubchem_cid: 15089659
smiles: [Cl-].C=1C=CC(=C(C1)CC)C[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H54N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-30(3,4)27-29-25-22-21-24-28(29)6-2;/h21-22,24-25H,5-20,23,26-27H2,1-4H3;1H/q+1;/p-1


name: N,N'-bis(Perfluorobutanoyl)1,4-butanediamine
cas: 2967-59-1
dtxsid: DTXSID90897022
formula: C12H10F14N2O2
inchikey: AHAQXHMPHGIPBT-UHFFFAOYSA-N
norman_susdat_id: NS00112207
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H10F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-3-1-2-4-28-6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2,(H,27,29)(H,28,30)


cas: 29674-65-5
formula: C29H26ClN9O18S5
inchikey: ADAOGOICTXLZQC-UHFFFAOYSA-N
norman_susdat_id: NS00053208
pubchem_cid: 135570860
name:
4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C29H26ClN9O18S5/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35)

smiles:
O=S(=O)(O)C1=CC=C(C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC=5N=C(Cl)N=C(N5)OCCOCC)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)=C1)S(=O)(=O)O


name: N,N'-(Propane-1,3-diyl)bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide)
cas: 29680-98-6
dtxsid: DTXSID80896726
formula: C19H8F30N2O2
inchikey: DVEYKCZOFBIPNL-UHFFFAOYSA-N
norman_susdat_id: NS00111849
inchi:
InChI=1S/C19H8F30N2O2/c20-6(21,8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)46)4(52)50-2-1-3-51-5(53)7(22,23)9(26,27)11(30,31)13(34,35)15(38,39)17(42,43)19(47,48)49/h1-3H2,(H,50,52)(H,51,53)

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3-(Heptafluoropropyl)-6-(morpholin-4-yl)[1,2,4]triazolo[4,3-b]pyridazine
cas: 296886-61-8
dtxsid: DTXSID90896272
formula: C12H10F7N5O
inchikey: OBSMCEMJAVGBFT-UHFFFAOYSA-N
norman_susdat_id: NS00112156
smiles: FC(F)(F)C(F)(F)C(F)(F)c1nnc2ccc(nn12)N1CCOCC1
inchi:
InChI=1S/C12H10F7N5O/c13-10(14,11(15,16)12(17,18)19)9-21-20-7-1-2-8(22-24(7)9)23-3-5-25-6-4-23/h1-2H,3-6H2


name: 1,4-diisooctyl sulphosuccinate
cas: 29699-21-6
formula: C20H38O7S
inchikey: VJWGHGJYLCJIEK-UHFFFAOYSA-N
norman_susdat_id: NS00052284
pubchem_cid: 13579091
smiles: O=C(OCCCCCC(C)C)CC(C(=O)OCCCCCC(C)C)S(=O)(=O)O
inchi:
InChI=1/C20H38O7S/c1-16(2)11-7-5-9-13-26-19(21)15-18(28(23,24)25)20(22)27-14-10-6-8-12-17(3)4/h16-18H,5-15H2,1-4H3,(H,23,24,25)


name: Ethynodiol diacetate
cas: 297-76-7
chebiid: CHEBI:31580
chemspiderid: 3188
dtxsid: DTXSID4020614
formula: C24H32O4
inchikey: ONKUMRGIYFNPJW-KIEAKMPYSA-N
norman_susdat_id: NS00028774
pubchem_cid: 9270
smiles: CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1
inchi:
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1


name: Isobenzan
cas: 297-78-9
chebiid: CHEBI:82099
chemspiderid: 8914
dtxsid: DTXSID3021306
formula: C9H4Cl8O1
inchikey: LRWHHSXTGZSMSN-UHFFFAOYNA-N
norman_susdat_id: NS00022007
pubchem_cid: NA
smiles: ClC1OC(Cl)C2C1C1(Cl)C(=C(Cl)C2(Cl)C1(Cl)Cl)Cl
eea_notation: CAS_297-78-9
inchi:
InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H/t1-,2+,5-,6-,7+,8-/m1/s1


name: 4,5,6,7-Tetrabromo-3',3''-disulfophenolphthalein
cas: 297-83-6
chebiid: CHEBI:63836
chemspiderid: 5152
dtxsid: DTXSID4075378
formula: C20H10Br4O10S2
inchikey: OHTXTCNTQJFRIG-UHFFFAOYSA-N
norman_susdat_id: NS00028778
pubchem_cid: 5345
smiles: Oc1ccc(cc1S(=O)(=O)[O-])C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1cc(c(O)cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)


name: N-Butyl-8-hydroxy-5-methylnaphthalene-1-sulphonamide
cas: 2970-26-5
chemspiderid: 68780
dtxsid: DTXSID60183848
formula: C15H19N1O3S1
inchikey: UIOIASSGJKTELU-UHFFFAOYSA-N
norman_susdat_id: NS00028752
pubchem_cid: 76301
smiles: CCCCNS(=O)(=O)c1cccc2c(C)ccc(O)c12
inchi:
InChI=1S/C15H19NO3S/c1-3-4-10-16-20(18,19)14-7-5-6-12-11(2)8-9-13(17)15(12)14/h5-9,16-17H,3-4,10H2,1-2H3


name: Octadecanoic acid, 2-sulfoethyl ester, sodium salt
cas: 29703-73-9
chemspiderid: 60841
dtxsid: DTXSID3067499
formula: C20H40O5S1
inchikey: LEEHDJJMXGSXDH-UHFFFAOYSA-M
norman_susdat_id: NS00028753
pubchem_cid: 23680236
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]
inchi:
InChI=1S/C20H40O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24/h2-19H2,1H3,(H,22,23,24)


name: Sodium hydrogen (R)-12-(sulphonatooxy)oleate
cas: 29704-46-9
formula: C18H34O6S.Na
inchikey: LXVQWMLOHFDJAM-DPMBMXLASA-L
norman_susdat_id: NS00085540
smiles: [Na+].CCCCCC[C@H](C\C=C/CCCCCCCC(=O)[O-])OS(=O)(=O)[O-]
inchi:
InChI=1/C18H34O6S.Na/c1-2-3-4-11-14-17(24-25(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20;/h9,12,17H,2-8,10-11,13-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-2


name: a-[[4-(benzothiazol-2-ylazo)-m-tolyl]ethylamino]-m-toluenesulphonic acid
cas: 29706-48-7
formula: C23H22N4O3S2
inchikey: QFZFXWNDIVQIAJ-UHFFFAOYSA-N
norman_susdat_id: NS00052381
pubchem_cid: 122459
smiles: O=S(=O)(O)C=1C=CC=C(C1)CN(C2=CC=C(N=NC3=NC=4C=CC=CC4S3)C(=C2)C)CC
inchi:
InChI=1/C23H22N4O3S2/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23/h4-14H,3,15H2,1-2H3,(H,28,29,30)


name: Lucidin-3-beta-primeveroside
cas: 29706-59-0
chemspiderid: 160180
formula: C26H28O14
inchikey: NVKNRXOMCYTFJF-WFLOGZPDSA-N
norman_susdat_id: NS00094501
pubchem_cid: 140792
smiles:
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)C(=O)C5=CC=CC=C5C4=O)O)CO)O)O)O)O)O)O


name: Zidovudine 5'-monophosphate
cas: 29706-85-2
dtxsid: DTXSID30183855
formula: C10H14N5O7P
inchikey: OIFWQOKDSPDILA-XLPZGREQSA-N
norman_susdat_id: NS00070697
pubchem_cid: 65374
smiles: Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1


cas: 29707-62-8
formula: C23H23N3O8S
inchikey: WNMFNGGUHIIQJE-UHFFFAOYSA-N
norman_susdat_id: NS00051855
pubchem_cid: 122461
smiles: O=C(OCC1=CC=C(C=C1)N(=O)=O)C2N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3S(=O)C2(C)C
name:
4-nitrobenzyl [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4-oxide

inchi:
InChI=1/C23H23N3O8S/c1-23(2)19(22(29)34-12-14-8-10-15(11-9-14)26(30)31)25-20(28)18(21(25)35(23)32)24-17(27)13-33-16-6-4-3-5-7-16/h3-11,18-19,21H,12-13H2,1-2H3,(H,24,27)


name: Octadecanoic acid, 12-hydroxy-, 2-ethylhexyl ester
cas: 29710-25-6
chemspiderid: 4576473
dtxsid: DTXSID70865507
formula: C26H52O3
inchikey: GLCFQKXOQDQJFZ-UHFFFAOYSA-N
norman_susdat_id: NS00013673
pubchem_cid: 5463971
smiles: CCCCCCC(O)CCCCCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C26H52O3/c1-4-7-9-16-20-25(27)21-17-14-12-10-11-13-15-18-22-26(28)29-23-24(6-3)19-8-5-2/h24-25,27H,4-23H2,1-3H3


name: Octanoic acid, hexadecyl ester
cas: 29710-31-4
chemspiderid: 395532
dtxsid: DTXSID30865508
formula: C24H48O2
inchikey: DWMMZQMXUWUJME-UHFFFAOYSA-N
norman_susdat_id: NS00009369
pubchem_cid: 448864
smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCCCC
inchi:
InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3


name: Decanoic acid, hexadecyl ester
cas: 29710-34-7
chemspiderid: 109189
dtxsid: DTXSID0067501
formula: C26H52O2
inchikey: QICHMCRJUKQZRE-UHFFFAOYSA-N
norman_susdat_id: NS00028756
pubchem_cid: 122463
smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
inchi:
InChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-23-25-28-26(27)24-22-20-18-10-8-6-4-2/h3-25H2,1-2H3


name: 4-({[4-(acryloyloxy)butoxy]carbonyl}oxy)benzoic acid
cas: 297132-04-8
chemspiderid: 19100768
formula: C15H16O7
inchikey: UZGCTULFQVGVNS-UHFFFAOYSA-N
norman_susdat_id: NS00007492
pubchem_cid: 22886662
smiles: OC(=O)c1ccc(OC(=O)OCCCCOC(=O)C=C)cc1
inchi:
InChI=1S/C15H16O7/c1-2-13(16)20-9-3-4-10-21-15(19)22-12-7-5-11(6-8-12)14(17)18/h2,5-8H,1,3-4,9-10H2,(H,17,18)


name: 4-[4-(4-Fluorophenoxy)-5-methyl-1,2-dihydro-3H-pyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
cas: 297147-95-6
chemspiderid: 5169856
dtxsid: DTXSID30425166
formula: C16H13F1N2O3
inchikey: GJKRGPNMAMNZDR-UHFFFAOYSA-N
norman_susdat_id: NS00016396
pubchem_cid: NA
smiles: Cc1c(c(n[nH]1)c2ccc(cc2O)O)Oc3ccc(cc3)F
inchi:
InChI=1S/C16H13FN2O3/c1-9-16(22-12-5-2-10(17)3-6-12)15(19-18-9)13-7-4-11(20)8-14(13)21/h2-8,20-21H,1H3,(H,18,19)


cas: 297175-70-3
dtxsid: DTXSID60882682
norman_susdat_id: NS00110970
name:
Siloxanes and Silicones, 3-aminopropyl ethoxy, ethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl), polymers with 3-aminopropyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silsesquioxanes, hydrolyzed, formates (salts)


name: 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
cas: 2972-58-9
formula: C25H20N4O3
inchikey: HDMHBRVDJGULBL-UHFFFAOYSA-N
norman_susdat_id: NS00049232
pubchem_cid: 76304
smiles: O=C(N)C1=CC=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4C)C=C1
inchi:
InChI=1/C25H20N4O3/c1-15-6-2-5-9-21(15)27-25(32)20-14-17-7-3-4-8-19(17)22(23(20)30)29-28-18-12-10-16(11-13-18)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)


name: AC1LBTUH
cas: 29723-33-9
dtxsid: DTXSID40340351
formula: C16H10F15N
inchikey: JFCGFYIIFNVYCN-LTYZHWICSA-N
norman_susdat_id: NS00110190
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=NCCC1=CC=CC=C1
inchi:
InChI=1S/C16H10F15N/c17-10(18,8-32-7-6-9-4-2-1-3-5-9)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-5,8H,6-7H2/b32-8+


name: (toluene-3,4-dithiolato)zinc
cas: 29726-21-4
formula: C7H6S2Zn
inchikey: WSPDPEGUBOEWME-UHFFFAOYSA-L
norman_susdat_id: NS00085166
smiles: Cc1ccc2S[Zn]Sc2c1
inchi:
InChI=1/C7H8S2.Zn/c1-5-2-3-6(8)7(9)4-5;/h2-4,8-9H,1H3;/q;+2/p-2/rC7H6S2Zn/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3


name: Cori Ester
cas: 29732-59-0
chebiid: CHEBI:29042
dtxsid: DTXSID90889321
formula: C6H13O9P
inchikey: HXXFSFRBOHSIMQ-VFUOTHLCSA-N
norman_susdat_id: NS00069756
pubchem_cid: 65533
smiles: O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1


name: Diisodecyl glutarate
cas: 29733-18-4
chemspiderid: 56581
dtxsid: DTXSID0067503
formula: C25H48O4
inchikey: NKTBVFBHWIMHRL-UHFFFAOYSA-N
norman_susdat_id: NS00028762
pubchem_cid: 62848
smiles: CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C25H48O4/c1-22(2)16-11-7-5-9-13-20-28-24(26)18-15-19-25(27)29-21-14-10-6-8-12-17-23(3)4/h22-23H,5-21H2,1-4H3


name: 2,5,7,10,11,14-hexaoxa-1,6-distibabicyclo[4.4.4]tetradecane
cas: 29736-75-2
formula: C6H12O6Sb2
inchikey: JEPVJCOLPSALKN-UHFFFAOYSA-N
norman_susdat_id: NS00084541
smiles: C1CO[Sb]2OCCO[Sb](OCCO2)O1
inchi:
InChI=1/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3/rC6H12O6Sb2/c1-2-8-14-11-5-3-9-13(7-1)10-4-6-12-14/h1-6H2


name: 1-(5'-Phospho-beta-D-ribofuranosyl)barbituric acid
cas: 29741-00-2
dtxsid: DTXSID50183892
formula: C9H13N2O10P
inchikey: UDOBICLZEKUKCV-YXZULKJRSA-N
norman_susdat_id: NS00071690
pubchem_cid: 161647
smiles: O=c1cc(O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
inchi:
InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h1,3,6-8,13-15H,2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1


name: Apigenin 7-glucuronide
cas: 29741-09-1
dtxsid: DTXSID10183893
formula: C21H18O11
inchikey: JBFOLLJCGUCDQP-ZFORQUDYSA-N
norman_susdat_id: NS00097544
smiles: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
inchi:
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1


name: Saponoside D
cas: 29741-72-8
chebiid: CHEBI:9027
chemspiderid: 390519
dtxsid: DTXSID00331684
formula: C87H138O49
inchikey: WIJVRDXENCOVLH-ALYUEFILSA-N
norman_susdat_id: NS00094609
pubchem_cid: 441946
inchi:
InChI=1S/C87H138O49/c1-28-42(94)49(101)55(107)73(120-28)134-68-65(130-79-66(132-75-57(109)51(103)46(98)36(22-89)124-75)48(100)38(26-119-79)126-71-53(105)43(95)33(92)24-117-71)61(113)78(135-69(68)70(114)115)127-41-13-14-83(6)39(84(41,7)27-91)12-15-86(9)40(83)11-10-31-32-20-82(4,5)16-18-87(32,19-17-85(31,86)8)81(116)136-77-60(112)64(63(30(3)121-77)129-72-54(106)44(96)34(93)25-118-72)131-80-67(133-76-58(110)52(104)47(99)37(23-90)125-76)59(111)62(29(2)122-80)128-74-56(108)50(102)45(97)35(21-88)123-74/h10,27-30,32-69,71-80,88-90,92-113H,11-26H2,1-9H3,(H,114,115)/t28-,29-,30+,32-,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51-,52-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62-,63-,64+,65+,66+,67+,68-,69-,71-,72-,73-,74-,75-,76-,77-,78+,79-,80-,83-,84+,85+,86+,87-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)O[C@@H]4O[C@H](C)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@]3(C)C=O)O[C@@H]2C(O)=O)[C@H](O)[C@H](O)[C@H]1O


name: Benzenamine, 4-butyl-N-[(4-ethoxyphenyl)methylene]-
cas: 29743-08-6
chemspiderid: 85198
dtxsid: DTXSID0067505
formula: C19H23N1O1
inchikey: DBOAVDSSZWDGTH-UHFFFAOYSA-N
norman_susdat_id: NS00028768
pubchem_cid: 94406
smiles: CCCCc1ccc(cc1)N=Cc1ccc(OCC)cc1
inchi:
InChI=1S/C19H23NO/c1-3-5-6-16-7-11-18(12-8-16)20-15-17-9-13-19(14-10-17)21-4-2/h7-15H,3-6H2,1-2H3/b20-15+


name: Carfenazine hydrogen maleate
cas: 2975-34-0
formula: C24H31N3O2S.2C4H4O4
inchikey: ZQYMISSXVDTVFZ-BTJKTKAUSA-N
norman_susdat_id: NS00083240
smiles: CCC(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(CCO)CC4)c2c1.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C24H31N3O2S.C4H4O4/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28;5-3(6)1-2-4(7)8/h3-4,6-9,18,28H,2,5,10-17H2,1H3;1-2H,(H,5,6)(H,7,8)


name: 10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monohydrochloride
cas: 2975-36-2
formula: C19H22N2S.ClH
inchikey: RLCFKYRNUBRPIK-UHFFFAOYSA-N
norman_susdat_id: NS00083071
smiles: Cl.CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1
inchi:
InChI=1/C19H22N2S.ClH/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;/h2-5,8-11,15H,6-7,12-14H2,1H3;1H


name: Altenuene
cas: 29752-43-0
chemspiderid: 31922
dtxsid: DTXSID60891799
formula: C15H16O6
inchikey: MMHTXEATDNFMMY-WBIUFABUSA-N
norman_susdat_id: NS00094874
pubchem_cid: 34687
smiles: C[C@]12C[C@@H]([C@H](C=C1C3=CC(=CC(=C3C(=O)O2)O)OC)O)O
inchi:
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3/t10-,12-,15-/m0/s1


name: Aluminium dodecylbenzenesulphonate
cas: 29756-98-7
formula: C18H30O3S.1/3Al
inchikey: FMVLJTLETHJGJE-UHFFFAOYSA-K
norman_susdat_id: NS00085167
inchi:
InChI=1/3C18H30O3S.Al/c3*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h3*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;;+3/p-3

smiles:
[Al+3].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-].CCCCCCCCCCCCc3ccccc3S(=O)(=O)[O-]


name: 2-ethylhexyl epoxyoctadecanoate
cas: 29759-19-1
formula: C26H50O3
inchikey: PUYRISKXBBQECH-UHFFFAOYSA-N
norman_susdat_id: NS00084269
smiles: CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3


name: Isodecyl diphenyl phosphate
cas: 29761-21-5
chemspiderid: 31929
formula: C22H31O4P1
inchikey: RYUJRXVZSJCHDZ-UHFFFAOYSA-N
norman_susdat_id: NS00006121
pubchem_cid: 34697
smiles: CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3


name: C.I. Disperse Red 135
cas: 29765-00-2
chemspiderid: 21229651
formula: C27H27N5O7
inchikey: ORNBGJQGKJZRNY-UHFFFAOYSA-N
norman_susdat_id: NS00020627
pubchem_cid: 122470
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(NC(=O)c2ccccc2)c(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C27H27N5O7/c1-19(33)38-16-14-31(15-17-39-20(2)34)24-12-13-25(30-29-22-8-10-23(11-9-22)32(36)37)26(18-24)28-27(35)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H,28,35)


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctane-1-sulfonamide
cas: 29765-95-5
dtxsid: DTXSID30895724
formula: C8H6F13NO2S
inchikey: SQAFCSVGKMMETM-UHFFFAOYSA-N
norman_susdat_id: NS00110058
smiles: NS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H6F13NO2S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)


name: Teniposide
cas: 29767-20-2
chemspiderid: 5203
dtxsid: DTXSID8023638
formula: C32H32O13S1
inchikey: NRUKOCRGYNPUPR-UHFFFAOYSA-N
norman_susdat_id: NS00010051
pubchem_cid: 5396
smiles: COc1cc(cc(OC)c1O)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)c2cccs2)c2cc3OCOc3cc12
inchi:
InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3


name: 2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 29767-87-1
dtxsid: DTXSID60952192
formula: C17H19N4OS
inchikey: YVYBKHKPPKMNDB-UHFFFAOYSA-M
norman_susdat_id: NS00051140
pubchem_cid: 147316
smiles: [Cl-].N(=NC=1SC=2C=C(OC)C=CC2[N+]1C)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C17H19N4OS.ClH/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;/h5-11H,1-4H3;1H/q+1;/p-1


name: N-(3,3-diphenylpropyl)pyridin-4-amine monohydrochloride
cas: 29769-70-8
dtxsid: DTXSID10183914
formula: C20H20N2
inchikey: WQIROGKYJDPOFW-UHFFFAOYSA-N
norman_susdat_id: NS00050671
pubchem_cid: 71139
smiles: Cl.N=1C=CC(=CC1)NCCC(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H20N2.ClH/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19;/h1-12,14-15,20H,13,16H2,(H,21,22);1H


name: 2,3-dimethyl-6-nitrobenzothiazolium p-toluenesulphonate
cas: 29770-14-7
dtxsid: DTXSID5067508
formula: C9H10N2O2S
inchikey: QHVZYSIEYHLOJN-UHFFFAOYSA-M
norman_susdat_id: NS00051141
pubchem_cid: 169082
smiles: O=[N+]([O-])C=1C=CC2=C(SC(=[N+]2C)C)C1.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C9H9N2O2S.C7H8O3S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 2-[N-[p-(dimethylamino)phenyl]formimidoyl]-3-ethylbenzothiazolium ethyl sulphate
cas: 29770-19-2
dtxsid: DTXSID0067509
formula: C18H20N3S
inchikey: XJITZQQGJPTYCJ-UHFFFAOYSA-M
norman_susdat_id: NS00051131
pubchem_cid: 169084
smiles: O=S(=O)([O-])OCC.N(=CC=1SC=2C=CC=CC2[N+]1CC)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C18H20N3S.C2H6O4S/c1-4-21-16-7-5-6-8-17(16)22-18(21)13-19-14-9-11-15(12-10-14)20(2)3;1-2-6-7(3,4)5/h5-13H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 1,1'-Bi-1H-imidazole, 2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetrakis(3-methoxyphenyl)-
cas: 29777-36-4
chemspiderid: 109202
dtxsid: DTXSID9067510
formula: C46H36Cl2N4O4
inchikey: BMHQBXUGLBYQIN-UHFFFAOYSA-N
norman_susdat_id: NS00028775
pubchem_cid: 122478
smiles: COc1cc(ccc1)c1c(n(n2c(nc(c2c2cccc(OC)c2)c2cccc(OC)c2)c2c(Cl)cccc2)c(n1)c1ccccc1Cl)c1cccc(OC)c1
inchi:
InChI=1S/C46H36Cl2N4O4/c1-53-33-17-9-13-29(25-33)41-43(31-15-11-19-35(27-31)55-3)51(45(49-41)37-21-5-7-23-39(37)47)52-44(32-16-12-20-36(28-32)56-4)42(30-14-10-18-34(26-30)54-2)50-46(52)38-22-6-8-24-40(38)48/h5-28H,1-4H3


name: Piperidine, 1-[(1-hydroxy-2-naphthalenyl)carbonyl]-
cas: 29777-42-2
chemspiderid: 89102
dtxsid: DTXSID4067511
formula: C16H17N1O2
inchikey: FQCIVXJPSZVUCI-UHFFFAOYSA-N
norman_susdat_id: NS00028776
pubchem_cid: 98661
smiles: Oc1c(ccc2c1cccc2)C(=O)N1CCCCC1
inchi:
InChI=1S/C16H17NO2/c18-15-13-7-3-2-6-12(13)8-9-14(15)16(19)17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-11H2


name: Calcium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate
cas: 29779-09-7
formula: C22H16N2O6S
inchikey: XSEWRWVTXCZMMB-UHFFFAOYSA-L
norman_susdat_id: NS00051893
pubchem_cid: 116820
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC=3C=CC=4C=CC=CC4C3CS(=O)(=O)[O-])=C1O
inchi:
InChI=1/C22H16N2O6S.Ca/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);/q;+2/p-2


cas: 29779-15-5
dtxsid: DTXSID00183923
formula: C34H28ClN9O13S4
inchikey: GYJVNJFBOLPDEO-UHFFFAOYSA-J
norman_susdat_id: NS00051142
pubchem_cid: 11970451
name:
Tetrasodium 2-[[4-[[4-[[4-chloro-6-[N-(sulphonatomethyl)anilino]-1,3,5-triazin-2-yl]amino]-7-sulphonato-1-naphthyl]azo]-5-methoxy-o-tolyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C34H28ClN9O13S4.4Na/c1-19-14-28(30(57-2)17-27(19)41-43-29-16-22(60(51,52)53)9-13-31(29)61(54,55)56)42-40-26-12-11-25(23-10-8-21(15-24(23)26)59(48,49)50)36-33-37-32(35)38-34(39-33)44(18-58(45,46)47)20-6-4-3-5-7-20;;;;/h3-17H,18H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,36,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC=2C=C(OC)C(N=NC3=CC=C(NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])=CC2C)=C1)S(=O)(=O)[O-]


cas: 29779-17-7
formula: C26H20ClN7O10S3
inchikey: URISCLHIRMNPMI-UHFFFAOYSA-K
norman_susdat_id: NS00050672
pubchem_cid: NA
name:
Trisodium 7-[[4-chloro-6-[N-(sulphonatomethyl)anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(o-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H20ClN7O10S3.3Na/c27-24-29-25(31-26(30-24)34(14-45(36,37)38)17-6-2-1-3-7-17)28-16-10-11-18-15(12-16)13-21(47(42,43)44)22(23(18)35)33-32-19-8-4-5-9-20(19)46(39,40)41;;;/h1-13,35H,14H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-]


name: 1,3-diisopropyl-2-(p-nitrobenzyl)isourea
cas: 2978-11-2
dtxsid: DTXSID30883545
formula: C14H22N3O3
inchikey: FYDMCLCYYCIDMZ-UHFFFAOYSA-N
norman_susdat_id: NS00046897
pubchem_cid: 76317
smiles: O=[N+]([O-])C1=CC=C(C=C1)COC(=NC(C)C)NC(C)C
inchi:
InChI=1/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)


name: 2,3,4,5-Tetrastearoyl-D-glucitol
cas: 29780-99-2
chemspiderid: 21229655
dtxsid: DTXSID70183935
formula: C78H150O10
inchikey: CRAKAGLZBUZDON-XJKNBGGJSA-N
norman_susdat_id: NS00028777
pubchem_cid: 56842249
inchi:
InChI=1S/C78H150O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-71(69-79)77(87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72(70-80)86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h71-72,77-80H,5-70H2,1-4H3/t71-,72-,77-,78+/m0/s1

smiles:
CCCCCCCCCCCCCCCCCC(=O)OC(CO)C(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCC


name: Silidianin
cas: 29782-68-1
dtxsid: DTXSID70858696
formula: C25H22O10
inchikey: CYGIJEJDYJOUAN-UHFFFAOYSA-N
norman_susdat_id: NS00051143
pubchem_cid: 12442788
smiles: O=C1C=2C(O)=CC(O)=CC2OC(C3=CC4C(=O)C5(O)OCC(C4C6=CC=C(O)C(OC)=C6)C35)C1O
inchi:
InChI=1/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3


name: Nicotine salicylate
cas: 29790-52-1
formula: C10H14N2.C7H6O3
inchikey: AIBWPBUAKCMKNS-PPHPATTJSA-N
norman_susdat_id: NS00085208
smiles: CN1CCC[C@H]1c2cccnc2.OC(=O)c3ccccc3O
inchi:
InChI=1/C10H14N2.C7H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)


name: Tetra-O-allylglucitol
cas: 29798-55-8
formula: C18H30O6
inchikey: AGKVGPNFLGDWCT-XMTFNYHQSA-N
norman_susdat_id: NS00051894
pubchem_cid: 20746280
smiles: OCC(O)C(OCC=C)C(OCC=C)C(OCC=C)COCC=C
inchi:
InChI=1/C18H30O6/c1-5-9-21-14-16(22-10-6-2)18(24-12-8-4)17(15(20)13-19)23-11-7-3/h5-8,15-20H,1-4,9-14H2


name: Bis(2-ethylhexyl) phosphate
cas: 298-07-7
chemspiderid: 8918
dtxsid: DTXSID1027134
formula: C16H35O4P1
inchikey: SEGLCEQVOFDUPX-UHFFFAOYSA-N
norman_susdat_id: NS00005874
pubchem_cid: 9275
smiles: CCCCC(CC)COP(O)(=O)OCC(CC)CCCC
inchi:
InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)


name: Bulbocapnine
cas: 298-45-3
chebiid: CHEBI:3211
chemspiderid: 11934
dtxsid: DTXSID20183940
formula: C19H19N1O4
inchikey: LODGIKWNLDQZBM-LBPRGKRZSA-N
norman_susdat_id: NS00028785
pubchem_cid: 12441
smiles: COc1c(O)c2c(C[C@@H]3N(C)CCc4c3c2c2OCOc2c4)cc1
inchi:
InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1


name: Propanthelin
cas: 298-50-0
chebiid: CHEBI:8481
chemspiderid: 4765
dtxsid: DTXSID6047230
formula: C23H30N1O3
inchikey: VVWYOYDLCMFIEM-UHFFFAOYSA-N
norman_susdat_id: NS00015463
pubchem_cid: 4934
smiles: CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13)C(C)C
inchi:
InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1


name: Cinnarizine
cas: 298-57-7
chebiid: CHEBI:31403
chemspiderid: 1264793
dtxsid: DTXSID3022821
formula: C26H28N2
inchikey: DERZBLKQOCDDDZ-JLHYYAGUSA-N
norman_susdat_id: NS00006812
pubchem_cid: 1547484
smiles: C(C=Cc1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+


name: Methylphenidate hydrochloride
cas: 298-59-9
chebiid: CHEBI:31836
formula: C14H19NO2.ClH
inchikey: JUMYIBMBTDDLNG-UHFFFAOYSA-N
norman_susdat_id: NS00079660
smiles: Cl.COC(=O)C(C1CCCCN1)c2ccccc2
inchi:
InChI=1/C14H19NO2.ClH/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12;/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3;1H


name: Nitroblue tetrazolium dichloride
cas: 298-83-9
chebiid: CHEBI:9505
chemspiderid: 8924
dtxsid: DTXSID6046719
formula: C40H30N10O6
inchikey: FSVCQIDHPKZJSO-UHFFFAOYSA-L
norman_susdat_id: NS00020187
pubchem_cid: 9281
inchi:
InChI=1S/C40H30N10O6/c1-55-37-25-29(13-23-35(37)47-43-39(27-9-5-3-6-10-27)41-45(47)31-15-19-33(20-16-31)49(51)52)30-14-24-36(38(26-30)56-2)48-44-40(28-11-7-4-8-12-28)42-46(48)32-17-21-34(22-18-32)50(53)54/h3-26H,1-2H3/q+2

smiles:
[Cl-].[Cl-].COc1cc(ccc1[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)c1ccc(c(OC)c1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1


name: 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
cas: 298-93-1
dtxsid: DTXSID60889338
formula: C18H17N5S
inchikey: NBWRJAOOMGASJP-UHFFFAOYSA-N
norman_susdat_id: NS00041691
pubchem_cid: 19772918
smiles: [Br-].N1=C(SC(=C1C)C)N2N=C(C=3C=CC=CC3)[NH2+]N2C=4C=CC=CC4
inchi:
InChI=1/C18H17N5S.BrH/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;/h3-12H,1-2H3,(H,20,21);1H


name: 2,3,5-triphenyltetrazolium chloride
cas: 298-96-4
formula: C19H15N4.Cl
inchikey: LCJINPXTMHVZGV-UHFFFAOYSA-N
norman_susdat_id: NS00079399
smiles: [Cl-].[NH2+]1N(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4
inchi:
InChI=1/C19H16N4.ClH/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18;/h1-15H,(H,20,21);1H


name: 2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl [R-(R*,R*)]-aminoacetate
cas: 2980-74-7
dtxsid: DTXSID30952240
formula: C13H15Cl2N3O6
inchikey: OQIFRQVYHYGHRI-UHFFFAOYSA-N
norman_susdat_id: NS00047372
pubchem_cid: NA
smiles: O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O)CN
inchi:
InChI=1/C13H15Cl2N3O6/c14-12(15)13(21)17-9(6-24-10(19)5-16)11(20)7-1-3-8(4-2-7)18(22)23/h1-4,9,11-12,20H,5-6,16H2,(H,17,21)


name: Potassium phthalate (2:1)
cas: 29801-94-3
formula: C8H6O4.xK
inchikey: FXRACFKZOZCJSD-UHFFFAOYSA-L
norman_susdat_id: NS00084309
smiles: [KH].[KH].[O-]C(=O)c1ccccc1C(=O)[O-]
inchi:
InChI=1/C8H6O4.2K.2H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h1-4H,(H,9,10)(H,11,12);;;;/q;2*+1;;/p-2/rC8H6O4.2HK/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H/q;2*+1/p-2


name: Cucurbitacine I glucoside
cas: 29803-94-9
chebiid: CHEBI:68917
chemspiderid: 6441519
formula: C36H52O12
inchikey: LIIOJBIJVPGVGO-JZZAZZIQSA-N
norman_susdat_id: NS00094063
pubchem_cid: 4945672
smiles:
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O


name: cis-7,8-Epoxy-2-methyloctadecane
cas: 29804-22-6
chemspiderid: 149826
dtxsid: DTXSID4035548
formula: C19H38O1
inchikey: HFOFYNMWYRXIBP-MOPGFXCFSA-N
norman_susdat_id: NS00028779
pubchem_cid: 62850
smiles: CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C
inchi:
InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1


name: 2-Ethylhexyl hexadecanoate
cas: 29806-73-3
chemspiderid: 56584
dtxsid: DTXSID3027958
formula: C24H48O2
inchikey: SFAAOBGYWOUHLU-UHFFFAOYSA-N
norman_susdat_id: NS00007285
pubchem_cid: 62851
smiles: CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3


name: Perfluoroeicosyl iodide
cas: 29809-34-5
chemspiderid: 147889
dtxsid: DTXSID4067513
formula: C20F41I1
inchikey: AQDHOJSLSYFQND-UHFFFAOYSA-N
norman_susdat_id: NS00011186
pubchem_cid: 169090
inchi:
InChI=1S/C20F41I/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

smiles:
FC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)F


name: Perfluorooctadecyl iodide
cas: 29809-35-6
chemspiderid: 147890
dtxsid: DTXSID9067514
formula: C18F37I1
inchikey: PDUYKNDSQRUXSC-UHFFFAOYSA-N
norman_susdat_id: NS00011185
pubchem_cid: 169091
inchi:
InChI=1S/C18F37I/c19-1(20,3(23,24)5(27,28)7(31,32)9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)53)2(21,22)4(25,26)6(29,30)8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(54,55)56

smiles:
FC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)F


name: Pentatetracontafluoro-22-iododocosane
cas: 29809-36-7
chemspiderid: 2283619
dtxsid: DTXSID60183949
formula: C22F45I1
inchikey: XEPZXQWMUFPPFO-UHFFFAOYSA-N
norman_susdat_id: NS00011187
pubchem_cid: 3015485
inchi:
InChI=1S/C22F45I/c23-1(24,3(27,28)5(31,32)7(35,36)9(39,40)11(43,44)13(47,48)15(51,52)17(55,56)19(59,60)21(63,64)65)2(25,26)4(29,30)6(33,34)8(37,38)10(41,42)12(45,46)14(49,50)16(53,54)18(57,58)20(61,62)22(66,67)68

smiles:
FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Phenylcyclidine hydrobromide
cas: 2981-31-9
dtxsid: DTXSID70183950
formula: C17H26BrN
inchikey: NIWLZFCGPBHMQN-UHFFFAOYSA-N
norman_susdat_id: NS00076373
smiles: Br.C1CCN(CC1)C1(CCCCC1)C1=CC=CC=C1
inchi:
InChI=1S/C17H25N.BrH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H


name: Sodium 1-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl) 2-sulphonatobenzoate
cas: 29811-19-6
chemspiderid: 21229656
dtxsid: DTXSID40880247
formula: C14H8F12O5S1
inchikey: MQLGEVBWKKFBQN-UHFFFAOYSA-M
norman_susdat_id: NS00018899
pubchem_cid: 53432501
smiles: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C14H8F12O5S/c15-9(16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)5-31-8(27)6-3-1-2-4-7(6)32(28,29)30/h1-4,9H,5H2,(H,28,29,30)


name: Disodium hexanitroplatinate
cas: 29830-84-0
formula: N6O12Pt.2Na
inchikey: IBLSDSOGEQQQSV-UHFFFAOYSA-N
norman_susdat_id: NS00084609
smiles: [Na+].[Na+].[O-][N+](=O)[Pt-2]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/6NO2.2Na.Pt/c6*2-1-3;;;/q;;;;;;2*+1;-2/rN6O12Pt.2Na/c7-1(8)19(2(9)10,3(11)12,4(13)14,5(15)16)6(17)18;;/q-2;2*+1


name: Octyl beta-D-glucopyranoside
cas: 29836-26-8
chebiid: CHEBI:41128
chemspiderid: 56585
dtxsid: DTXSID6042234
formula: C14H28O6
inchikey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
norman_susdat_id: NS00015079
pubchem_cid: 62852
smiles: CCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
inchi:
InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1


name: 4-Dodecyloxy-2-hydroxybenzophenone
cas: 2985-59-3
chemspiderid: 68807
dtxsid: DTXSID6062755
formula: C25H34O3
inchikey: ARVUDIQYNJVQIW-UHFFFAOYSA-N
norman_susdat_id: NS00022009
pubchem_cid: 76330
smiles: CCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
inchi:
InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3


name: Benzenesulfonic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris-
cas: 29850-38-2
chemspiderid: 107010
dtxsid: DTXSID9067518
formula: C21H18N6O9S3
inchikey: DWRLZGBQVFEEKS-UHFFFAOYSA-N
norman_susdat_id: NS00028786
pubchem_cid: 122494
smiles: OS(=O)(=O)c1cc(Nc2nc(Nc3cccc(c3)S(=O)(=O)O)nc(Nc3cccc(c3)S(=O)(=O)O)n2)ccc1
inchi:
InChI=1S/C21H18N6O9S3/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27)


name: 2,2'-(Phenylene)bis(5-phenyloxazole)
cas: 29863-19-2
chemspiderid: 11351777
dtxsid: DTXSID70183975
formula: C24H16N2O2
inchikey: GGBOVJMCGIHGCG-UHFFFAOYSA-N
norman_susdat_id: NS00028788
pubchem_cid: 15220870
smiles: o1c(cnc1c1ccccc1c1ncc(o1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H16N2O2/c1-3-9-17(10-4-1)21-15-25-23(27-21)19-13-7-8-14-20(19)24-26-16-22(28-24)18-11-5-2-6-12-18/h1-16H


name: 2-(2-Ethoxyphenyl)-1-(2-(2-ethoxyphenyl)-4,5-diphenyl-2H-imidazol-2-yl)-4,5-diphenyl-1H-imidazole
cas: 29864-18-4
chemspiderid: 109215
dtxsid: DTXSID30183976
formula: C46H38N4O2
inchikey: YROIEOIEMOCPOS-UHFFFAOYSA-N
norman_susdat_id: NS00028789
pubchem_cid: 122495
smiles: CCOc1ccccc1c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1c(OCC)cccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C46H38N4O2/c1-3-51-39-31-19-17-29-37(39)45-47-43(35-25-13-7-14-26-35)44(36-27-15-8-16-28-36)50(45)46(38-30-18-20-32-40(38)52-4-2)48-41(33-21-9-5-10-22-33)42(49-46)34-23-11-6-12-24-34/h5-32H,3-4H2,1-2H3


name: 1H-Imidazole, 2-(2-chlorophenyl)-4,5-bis(3-methoxyphenyl)-
cas: 29864-31-1
chemspiderid: 109216
dtxsid: DTXSID4067519
formula: C23H19Cl1N2O2
inchikey: RXAYEPUDXSKVHS-UHFFFAOYSA-N
norman_susdat_id: NS00028790
pubchem_cid: 122496
smiles: COc1cc(ccc1)c1c([nH]c(n1)c1c(Cl)cccc1)c1cc(OC)ccc1
inchi:
InChI=1S/C23H19ClN2O2/c1-27-17-9-5-7-15(13-17)21-22(16-8-6-10-18(14-16)28-2)26-23(25-21)19-11-3-4-12-20(19)24/h3-14H,1-2H3,(H,25,26)


name: Adipic acid, compound with 2,2',2''-nitrilotriethanol
cas: 29867-73-0
formula: C6H15NO3.xC6H10O4
inchikey: VGNUTRRATQMMHI-UHFFFAOYSA-N
norman_susdat_id: NS00084351
smiles: OCCN(CCO)CCO.OC(=O)CCCCC(=O)O
inchi:
InChI=1/C6H15NO3.C6H10O4/c8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h8-10H,1-6H2;1-4H2,(H,7,8)(H,9,10)


name: Malic acid, compound with 2,2',2''-nitrilotriethanol
cas: 29868-02-8
formula: C6H15NO3.xC4H6O5
inchikey: LMBHNEOQVHRDGK-UHFFFAOYSA-N
norman_susdat_id: NS00084611
smiles: OCCN(CCO)CCO.OC(CC(=O)O)C(=O)O
inchi:
InChI=1/C6H15NO3.C4H6O5/c8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h8-10H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)


cas: 29868-97-1
chebiid: CHEBI:32014
formula: C19H21N5O2.2ClH
inchikey: FFNMBRCFFADNAO-UHFFFAOYSA-N
norman_susdat_id: NS00084612
smiles: Cl.Cl.CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1
name:
5,11-dihydro-11-[(4-methylpiperazin-1-yl)acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one dihydrochloride

inchi:
InChI=1/C19H21N5O2.2ClH/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24;;/h2-8H,9-13H2,1H3,(H,21,26);2*1H


name: N,N'-(9,10-Dihydro-9,10-dioxoanthracene-1,4-diyl)bisbenzamide
cas: 2987-68-0
chemspiderid: 65570
dtxsid: DTXSID40183987
formula: C28H18N2O4
inchikey: SMYVNUCSIRQQNT-UHFFFAOYSA-N
norman_susdat_id: NS00021107
pubchem_cid: 72731
smiles: O=C(Nc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(=O)c2ccccc2)cc1)c1ccccc1
inchi:
InChI=1S/C28H18N2O4/c31-25-19-13-7-8-14-20(19)26(32)24-22(30-28(34)18-11-5-2-6-12-18)16-15-21(23(24)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)


name: Bis(2-hydroxyethyl)ammonium hydrogen tartrate
cas: 29870-20-0
formula: C4H11NO2.xC4H6O6
inchikey: XXTDQBHEIICRMK-UHFFFAOYSA-M
norman_susdat_id: NS00085276
smiles: OCC[NH2+]CCO.OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C4H11NO2.C4H6O6/c6-3-1-5-2-4-7;5-1(3(7)8)2(6)4(9)10/h5-7H,1-4H2;1-2,5-6H,(H,7,8)(H,9,10)/p-1


name: 2,2',2''-nitrilotriethyl tartrate
cas: 29870-23-3
dtxsid: DTXSID80952331
formula: C18H27NO18
inchikey: KHRVCEARAZLLKT-UHFFFAOYSA-L
norman_susdat_id: NS00050733
pubchem_cid: NA
smiles: O=C([O-])C(O)C(O)C(=O)OCCN(CCOC(=O)C(O)C(O)C(=O)[O-])CCOC(=O)C(O)C(O)C(=O)O
inchi:
InChI=1/C18H27NO18/c20-7(13(26)27)10(23)16(32)35-4-1-19(2-5-36-17(33)11(24)8(21)14(28)29)3-6-37-18(34)12(25)9(22)15(30)31/h7-12,20-25H,1-6H2,(H,26,27)(H,28,29)(H,30,31)/p-2


name: [1,1'-Binaphthalene]-8,8'-dicarboxylic acid
cas: 29878-91-9
chemspiderid: 85633
dtxsid: DTXSID8067525
formula: C22H14O4
inchikey: XGDAODQNSVFBGM-UHFFFAOYSA-N
norman_susdat_id: NS00005337
pubchem_cid: 94908
smiles: OC(=O)c1cccc2cccc(-c3cccc4cccc(C(O)=O)c34)c12
inchi:
InChI=1S/C22H14O4/c23-21(24)17-11-3-7-13-5-1-9-15(19(13)17)16-10-2-6-14-8-4-12-18(20(14)16)22(25)26/h1-12H,(H,23,24)(H,25,26)


cas: 29881-72-9
formula: C52H92O8Sn
inchikey: KJGMUHKHEHLLST-QTHVYSOASA-L
norman_susdat_id: NS00051191
pubchem_cid: NA
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCC=CCCCCCCCC)(CCCC)CCCC
name:
(Z)-octadec-9-enyl (all-Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9,21-trienoate

inchi:
InChI=1/2C22H38O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H92O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-57-49(53)41-43-51(55)59-61(47-11-7-3,48-12-8-4)60-52(56)44-42-50(54)58-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h23-26,41-44H,5-22,27-40,45-48H2,1-4H3


name: D(-)-Amygdalin
cas: 29883-15-6
chebiid: CHEBI:17019
chemspiderid: 570897
formula: C20H27N1O11
inchikey: XUCIJNAGGSZNQT-JHSLDZJXSA-N
norman_susdat_id: NS00015336
pubchem_cid: 656516
smiles: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O
inchi:
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1


name: 2',3'-diacetyladenosine
cas: 29886-19-9
dtxsid: DTXSID00952338
formula: C14H17N5O6
inchikey: QEUNCPMKPOJTAW-OJICRYGUSA-N
norman_susdat_id: NS00049549
pubchem_cid: 21120167
smiles: O=C(C)C1(O)C(OC(CO)C1(O)C(=O)C)N2C=NC=3C(=NC=NC32)N
inchi:
InChI=1/C14H17N5O6/c1-6(21)13(23)8(3-20)25-12(14(13,24)7(2)22)19-5-18-9-10(15)16-4-17-11(9)19/h4-5,8,12,20,23-24H,3H2,1-2H3,(H2,15,16,17)


name: Cyclohexyl[2-(2-methylmorpholino)ethyl]carbodiimide monotoluene-p-sulphonate
cas: 29886-98-4
dtxsid: DTXSID30952341
formula: C14H25N3O
inchikey: AVFDIFVXGWEJME-UHFFFAOYSA-N
norman_susdat_id: NS00050866
pubchem_cid: 22117141
smiles: O=S(=O)(O)C1=CC=C(C=C1)C.C(=NCCN1CCOC(C)C1)=NC2CCCCC2
inchi:
InChI=1/C14H25N3O.C7H8O3S/c1-13-11-17(9-10-18-13)8-7-15-12-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h13-14H,2-11H2,1H3;2-5H,1H3,(H,8,9,10)


name: C.I.Solvent Blue 58
cas: 29887-08-9
chemspiderid: 163764
dtxsid: DTXSID2051974
formula: C30H42N2O2
inchikey: ULYAQFDBACQQGC-UHFFFAOYNA-N
norman_susdat_id: NS00019805
pubchem_cid: NA
smiles: CCCCC(CC)CNc1ccc(NCC(CC)CCCC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C30H42N2O2/c1-5-9-13-21(7-3)19-31-25-17-18-26(32-20-22(8-4)14-10-6-2)28-27(25)29(33)23-15-11-12-16-24(23)30(28)34/h11-12,15-18,21-22,31-32H,5-10,13-14,19-20H2,1-4H3/t21-,22+


name: Clobenoside
cas: 29899-95-4
formula: C25H32Cl2O6
inchikey: UOYOWSGCMGEQHC-BOWDEYSNSA-N
norman_susdat_id: NS00050145
pubchem_cid: 20054875
smiles: ClC1=CC=C(C=C1)COCC(OCC2=CC=C(Cl)C=C2)C3OC(OCC)C(O)C3OCCC
inchi:
InChI=1/C25H32Cl2O6/c1-3-13-31-24-22(28)25(30-4-2)33-23(24)21(32-15-18-7-11-20(27)12-8-18)16-29-14-17-5-9-19(26)10-6-17/h5-12,21-25,28H,3-4,13-16H2,1-2H3


name: 5-methylphenazinium methyl sulphate
cas: 299-11-6
chebiid: CHEBI:8055
dtxsid: DTXSID1059783
formula: C13H11N2
inchikey: RXGJTUSBYWCRBK-UHFFFAOYSA-M
norman_susdat_id: NS00041692
pubchem_cid: 9285
smiles: O=S(=O)([O-])OC.N=1C=2C=CC=CC2[N+](=C3C=CC=CC13)C
inchi:
InChI=1/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1


name: calcium gluconate
cas: 299-28-5
chebiid: CHEBI:3309
inchikey: NEEHYRZPVYRGPP-IYEMJOQQSA-L
norman_susdat_id: NS00078671
smiles:
[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]


name: 3-(4-amino-2-methylpyrimidin-5-ylmethyl)-5-(2-hydroxyethyl)-4-methylthiazole-2(3H)-thione
cas: 299-35-4
dtxsid: DTXSID60184012
formula: C12H16N4OS2
inchikey: SQOCQQPFEFRKBV-UHFFFAOYSA-N
norman_susdat_id: NS00041445
pubchem_cid: 67530
smiles: S=C1SC(=C(N1CC2=CN=C(N=C2N)C)C)CCO
inchi:
InChI=1/C12H16N4OS2/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)


name: Sparteine sulphate
cas: 299-39-8
formula: C15H26N2.H2O4S
inchikey: FCEHFCFHANDXMB-UMEYXWOPSA-N
norman_susdat_id: NS00079406
smiles: OS(=O)(=O)O.C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
inchi:
InChI=1/C15H26N2.H2O4S/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-5(2,3)4/h12-15H,1-11H2;(H2,1,2,3,4)


name: O,S-Dibenzoyl thiamine
cas: 299-88-7
chemspiderid: 2300295
dtxsid: DTXSID7043827
formula: C26H26N4O4S1
inchikey: AZJUFRDUYTYIHV-NKFKGCMQSA-N
norman_susdat_id: NS00028822
pubchem_cid: 3036235
smiles: C/C(=C(CCOC(=O)c1ccccc1)/SC(=O)c1ccccc1)/N(Cc1c(N)nc(C)nc1)C=O
inchi:
InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)


name: Acetiamine
cas: 299-89-8
chemspiderid: 4677905
formula: C16H22N4O4S
inchikey: ISIPQAHMLLFSFR-XNTDXEJSSA-N
norman_susdat_id: NS00100923
pubchem_cid: 5748361
smiles: Cc1ncc(c(n1)N)CN(C=O)/C(=C(CCOC(=O)C)/SC(=O)C)/C
inchi:
InChI=1S/C16H22N4O4S/c1-10(15(25-13(4)23)5-6-24-12(3)22)20(9-21)8-14-7-18-11(2)19-16(14)17/h7,9H,5-6,8H2,1-4H3,(H2,17,18,19)/b15-10+


name: Isoprenaline sulphate
cas: 299-95-6
formula: C11H17NO3.1/2H2O4S
inchikey: YTOSPBSEWLATJU-UHFFFAOYSA-N
norman_susdat_id: NS00079661
smiles: CC(C)NCC(O)c1ccc(O)c(O)c1.OS(=O)(=O)O
inchi:
InChI=1/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)


name: S-Adenosylmethionine
cas: 29908-03-0
chemspiderid: 1049
dtxsid: DTXSID6032019
formula: C15H23N6O5S1
inchikey: MEFKEPWMEQBLKI-UHFFFAOYSA-O
norman_susdat_id: NS00014313
pubchem_cid: NA
smiles: C[S+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
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


name: Bismuth tribenzoate
cas: 29909-60-2
formula: C7H6O2.1/3Bi
inchikey: UKTVRIQTIUYEPY-UHFFFAOYSA-K
norman_susdat_id: NS00084002
smiles: [BiH3+3].[O-]C(=O)c1ccccc1.[O-]C(=O)c2ccccc2.[O-]C(=O)c3ccccc3
inchi:
InChI=1/3C7H6O2.Bi.3H/c3*8-7(9)6-4-2-1-3-5-6;;;;/h3*1-5H,(H,8,9);;;;/q;;;+3;;;/p-3/r3C7H6O2.BiH3/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);1H3/q;;;+3/p-3


name: 2-(N-Ethylperfluorooctanesulfonamido)acetic acid (EtFOSAA)
cas: 2991-50-6
chebiid: CHEBI:83507
chemspiderid: 17128
dtxsid: DTXSID5062760
formula: C12H8F17N1O4S1
inchikey: CKRXVVGETMYFIO-UHFFFAOYSA-N
norman_susdat_id: NS00000428
pubchem_cid: 18134
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(CC(O)=O)CC
inchi:
InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)


name: Potassium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
cas: 2991-51-7
formula: C12H8F17NO4S.K
inchikey: OSIVISXRDMXJQR-UHFFFAOYSA-M
norman_susdat_id: NS00083029
smiles: [K+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H8F17NO4S.K/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;/h2-3H2,1H3,(H,31,32);/q;+1/p-1


name: Ammonium N-ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycinate
cas: 2991-52-8
formula: C12H8F17NO4S.H3N
inchikey: SJEKNOZINRJJPA-UHFFFAOYSA-N
norman_susdat_id: NS00083041
smiles: [NH4+].CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H8F17NO4S.H3N/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;/h2-3H2,1H3,(H,31,32);1H3


name: CHEMBL284153
cas: 29916-33-4
chemspiderid: 711205
dtxsid: DTXSID20355660
formula: C19H14N2O1
inchikey: MJPCBPHRCHYZRH-UHFFFAOYSA-N
norman_susdat_id: NS00017872
pubchem_cid: 813121
smiles: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CO3)C4=CC=CC=C4
inchi:
InChI=1S/C19H14N2O/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)


name: N-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 299198-90-6
dtxsid: DTXSID50896273
formula: C13H5F9N2OS
inchikey: NMSMFTYYEWHMJX-UHFFFAOYSA-N
norman_susdat_id: NS00110777
smiles: Fc1ccc(cc1F)-c1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)n1
inchi:
InChI=1S/C13H5F9N2OS/c14-6-2-1-5(3-7(6)15)8-4-26-10(23-8)24-9(25)11(16,17)12(18,19)13(20,21)22/h1-4H,(H,23,24,25)


cas: 29920-31-8
chemspiderid: 108633
dtxsid: DTXSID40865519
formula: C21H19N5O7
inchikey: IHRACTUONPFMSI-UHFFFAOYSA-N
norman_susdat_id: NS00006652
pubchem_cid: 121754
smiles: COC(=O)c1cc(cc(c1)C(=O)OC)N=NC(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
name:
1,3-Benzenedicarboxylic acid, 5-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-, 1,3-dimethyl ester

inchi:
InChI=1S/C21H19N5O7/c1-10(27)17(18(28)22-13-4-5-15-16(9-13)24-21(31)23-15)26-25-14-7-11(19(29)32-2)6-12(8-14)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)


name: hydrogen N-(1-oxododecyl)-L-glutamic acid
cas: 29923-31-7
chemspiderid: 84079
formula: C17H31N1O5
inchikey: AVBJHQDHVYGQLS-AWEZNQCLSA-N
norman_susdat_id: NS00003274
pubchem_cid: 93133
smiles: CCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
inchi:
InChI=1S/C17H31NO5/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21/h14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t14-/m0/s1


name: Ro 20-1724
cas: 29925-17-5
dtxsid: DTXSID80952376
formula: C15H22N2O3
inchikey: PDMUULPVBYQBBK-GFCCVEGCSA-N
norman_susdat_id: NS00068798
pubchem_cid: 6603746
smiles: CCCCOc1cc(C[C@@H]2CNC(=O)N2)ccc1OC
inchi:
InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1


name: 2,2,3,3,4,4,5,5,6,6-Decafluoro-6-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]hexanamide
cas: 29952-92-9
dtxsid: DTXSID30663107
formula: C9H2F17NO2
inchikey: QVENIMCKJBZDAX-UHFFFAOYSA-N
norman_susdat_id: NS00109888
smiles: NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9H2F17NO2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)9(25,26)29-6(18,7(19,20)21)8(22,23)24/h(H2,27,28)


name: 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-mercaptopropan-2-ol]
cas: 29953-09-1
dtxsid: DTXSID10952384
formula: C21H28O4S2
inchikey: OLPTYESEXWLOCS-UHFFFAOYSA-N
norman_susdat_id: NS00050929
pubchem_cid: 121756
smiles: OC(CS)COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)CS)C=C2)(C)C
inchi:
InChI=1/C21H28O4S2/c1-21(2,15-3-7-19(8-4-15)24-11-17(22)13-26)16-5-9-20(10-6-16)25-12-18(23)14-27/h3-10,17-18,22-23,26-27H,11-14H2,1-2H3


name: Ketamine-Nor
cas: 2996-37-4
chemspiderid: 17130
formula: C26H35FO6
inchikey: WGYLYGDCAAABJO-UHFFFAOYSA-N
norman_susdat_id: NS00100949
pubchem_cid: 18136
smiles: CC(=O)OCC(=O)C12C(CC3C1(CCC4C3CC(C5=CC(=O)CCC45C)F)C)OC(O2)(C)C
inchi:
InChI=1S/C26H35FO6/c1-14(28)31-13-21(30)26-22(32-23(2,3)33-26)12-18-16-11-20(27)19-10-15(29)6-8-24(19,4)17(16)7-9-25(18,26)5/h10,16-18,20,22H,6-9,11-13H2,1-5H3


name: Di-tert-tetradecyl disulphide
cas: 29962-83-2
dtxsid: DTXSID30952386
formula: C28H58S2
inchikey: PUZFDZFKIPUGSO-UHFFFAOYSA-N
norman_susdat_id: NS00050185
pubchem_cid: 121602
smiles: S(SC(C)(C)C(C)C(C)(C)C(C)C(C)(C)C)C(C)(C)C(C)C(C)(C)C(C)C(C)(C)C
inchi:
InChI=1/C28H58S2/c1-19(23(5,6)7)25(11,12)21(3)27(15,16)29-30-28(17,18)22(4)26(13,14)20(2)24(8,9)10/h19-22H,1-18H3


name: Undecenoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 29968-23-8
formula: C11H20O2.C6H15NO3
inchikey: ANQKHDPIRGQWPU-UHFFFAOYSA-N
norman_susdat_id: NS00084014
smiles: OCCN(CCO)CCO.CCCCCCCCC=CC(O)=O
inchi:
InChI=1/C11H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h9-10H,2-8H2,1H3,(H,12,13);8-10H,1-6H2


name: Estramustine
cas: 2998-57-4
chemspiderid: 17134
dtxsid: DTXSID8046458
formula: C23H31Cl2N1O3
inchikey: FRPJXPJMRWBBIH-UHFFFAOYSA-N
norman_susdat_id: NS00004873
pubchem_cid: 18140
smiles: CC12CCC3C(CCc4cc(OC(=O)N(CCCl)CCCl)ccc34)C1CCC2O
inchi:
InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3


name: 9-(5-O-phosphono-ß-D-arabinofuranosyl)adenine
cas: 29984-33-6
formula: C10H14N5O7P
inchikey: UDMBCSSLTHHNCD-UHTZMRCNSA-N
norman_susdat_id: NS00084024
smiles: Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O
inchi:
InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)


name: Phenol, dioctyl-
cas: 29988-16-7
chemspiderid: 108512
dtxsid: DTXSID7067534
formula: C22H38O1
inchikey: IXKVYSRDIVLASR-UHFFFAOYSA-N
norman_susdat_id: NS00021108
pubchem_cid: 121608
smiles: CCCCCCCCc1cccc(O)c1CCCCCCCC
inchi:
InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-17-15-19-22(23)21(20)18-14-12-10-8-6-4-2/h15,17,19,23H,3-14,16,18H2,1-2H3


name: 7-Methyl-3-phenyl-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
cas: 299919-85-0
chemspiderid: 2092993
dtxsid: DTXSID30384643
formula: C17H16N2O1S2
inchikey: IVSIHDBMSUYSAH-UHFFFAOYSA-N
norman_susdat_id: NS00017183
pubchem_cid: 2814607
smiles: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4
inchi:
InChI=1S/C17H16N2OS2/c1-10-7-8-12-13(9-10)22-15-14(12)16(20)19(17(21)18-15)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,18,21)


name: NONOXYNOL-6 PHOS- PHATE
cas: 29994-44-3
chemspiderid: 147911
formula: C27H49O10P1
inchikey: GPGULEOZHQSGDG-UHFFFAOYSA-N
norman_susdat_id: NS00013902
pubchem_cid: 169116
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCO[P](O)(O)=O
inchi:
InChI=1S/C27H49O10P/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)36-24-22-34-20-18-32-16-14-31-15-17-33-19-21-35-23-25-37-38(28,29)30/h9-10,12-13H,2-8,11,14-25H2,1H3,(H2,28,29,30)


name: DL-Thyroxine
cas: 300-30-1
chebiid: CHEBI:305790
dtxsid: DTXSID0023662
formula: C15H11I4NO4
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
norman_susdat_id: NS00075564
smiles: NC(CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
inchi:
InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)


name: Diodone
cas: 300-37-8
formula: C7H5I2NO3.C4H11NO2
inchikey: RERHJVNYJKZHLJ-UHFFFAOYSA-N
norman_susdat_id: NS00079497
smiles: OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(=C1)I
inchi:
InChI=1/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2


name: Aluminum, hydroxybis(octadecanoato-.kappa.O)-
cas: 300-92-5
dtxsid: DTXSID1027136
formula: C36H71AlO5
inchikey: RDIVANOKKPKCTO-UHFFFAOYSA-K
norman_susdat_id: NS00075635
smiles: CCCCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3


name: 3-(cyclopentyloxy)-19-nor-17a-pregna-3,5-dien-20-yn-17-yl acetate
cas: 3000-39-3
chebiid: CHEBI:135661
dtxsid: DTXSID50952409
formula: C27H36O3
inchikey: FLGJKPPXEKYCBY-AKCFYGDASA-N
norman_susdat_id: NS00047430
pubchem_cid: 18142
smiles: O=C(OC1(C#C)CCC2C3CC=C4C=C(OC5CCCC5)CCC4C3CCC21C)C
inchi:
InChI=1/C27H36O3/c1-4-27(30-18(2)28)16-14-25-24-11-9-19-17-21(29-20-7-5-6-8-20)10-12-22(19)23(24)13-15-26(25,27)3/h1,9,17,20,22-25H,5-8,10-16H2,2-3H3


name: Magnesium abietate
cas: 30004-10-5
formula: C20H30O2.1/2Mg
inchikey: RVVVYWVQSZTDIK-JHZYRPMRSA-L
norman_susdat_id: NS00084034
inchi:
InChI=1/2C20H30O2.Mg/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2

smiles:
[Mg+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4


name: 8-bromoxanthosine
cas: 3001-46-5
dtxsid: DTXSID30952422
formula: C10H11BrN4O6
inchikey: YLAPSBFYSPSPLA-UMMCILCDSA-N
norman_susdat_id: NS00048196
pubchem_cid: 96545
smiles: O=C1NC(=O)C=2N=C(Br)N(C2N1)C3OC(CO)C(O)C3O
inchi:
InChI=1/C10H11BrN4O6/c11-9-12-3-6(13-10(20)14-7(3)19)15(9)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H2,13,14,19,20)


name: (3-chloro-2-hydroxypropyl)dimethyloctadecylammonium chloride
cas: 3001-63-6
dtxsid: DTXSID90952423
formula: C23H49ClNO
inchikey: QIKIJFUVHGOQOK-UHFFFAOYSA-M
norman_susdat_id: NS00048197
pubchem_cid: 102919
smiles: [Cl-].ClCC(O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H49ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(2,3)22-23(26)21-24;/h23,26H,4-22H2,1-3H3;1H/q+1;/p-1


name: (2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium
cas: 30018-16-7
chemspiderid: 79096
formula: C23H24O2P1
inchikey: RCMRLMJSJGLGEU-UHFFFAOYSA-N
norman_susdat_id: NS00008556
pubchem_cid: 87674
smiles: CCOC(=O)C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H24O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/q+1


name: Nitrilotriethylene trilaurate
cas: 3002-20-8
formula: C42H81NO6
inchikey: VUHOWROGPLLHQS-UHFFFAOYSA-N
norman_susdat_id: NS00083322
smiles: CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.C=CN(C=C)C=C
inchi:
InChI=1/3C12H24O2.C6H9N/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7(5-2)6-3/h3*2-11H2,1H3,(H,13,14);4-6H,1-3H2


name: Nitrilotriethane-1,2-diyl tristearate
cas: 3002-22-0
formula: C60H117NO6
inchikey: UJMACCGITUHEGE-UHFFFAOYSA-N
norman_susdat_id: NS00047433
pubchem_cid: 18146
smiles: O=C(OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C60H117NO6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-57H2,1-3H3


name: Chloro-29H,31H-phthalocyanine
cas: 30023-13-3
formula: C32H23ClN8
inchikey: SFMWNZAYHPPCSH-UHFFFAOYSA-N
norman_susdat_id: NS00049692
pubchem_cid: NA
smiles: ClC1=CC=CC=2C=3N=C4N=C(N=C5N=C(N=C6N=C(N=C(N3)C12)C=7C=CC=CC67)C=8C=CC=CC58)C9=CC=CC=C49
inchi:
InChI=1/C32H15ClN8/c33-23-15-7-14-22-24(23)32-40-30-21-13-6-5-12-20(21)28(38-30)36-26-17-9-2-1-8-16(17)25(34-26)35-27-18-10-3-4-11-19(18)29(37-27)39-31(22)41-32/h1-15H


name: Benzyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate
cas: 3003-38-1
formula: C24H20N4O3
inchikey: AXWCPLZLTHSWBP-UHFFFAOYSA-N
norman_susdat_id: NS00048150
pubchem_cid: 3014157
smiles: O=C(OCC=1C=CC=CC1)C2=CC=C(N=NC3C(=O)N(N=C3C)C=4C=CC=CC4)C=C2
inchi:
InChI=1/C24H20N4O3/c1-17-22(23(29)28(27-17)21-10-6-3-7-11-21)26-25-20-14-12-19(13-15-20)24(30)31-16-18-8-4-2-5-9-18/h2-15,22H,16H2,1H3


name: Sodium (+)-6-methoxy-2-naphthylpropionate
cas: 30033-41-1
formula: C14H14O3.Na
inchikey: CDBRNDSHEYLDJV-UHFFFAOYSA-M
norman_susdat_id: NS00084049
smiles: [Na+].COc1ccc2cc(ccc2c1)C(C)C(=O)[O-]
inchi:
InChI=1/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1


name: N-[(1,1-dimethylethoxy)carbonyl]-3-[(1,1-dimethylethyl)dithio]-L-alanine
cas: 30044-61-2
dtxsid: DTXSID40952438
formula: C12H23NO4S2
inchikey: PPQRALRLGBAWHD-QMMMGPOBSA-N
norman_susdat_id: NS00050989
pubchem_cid: 14258343
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CSSC(C)(C)C
inchi:
InChI=1/C12H23NO4S2/c1-11(2,3)17-10(16)13-8(9(14)15)7-18-19-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)


name: 1-Iodo-1H,1H,2H,2H-perfluorotetradecane
cas: 30046-31-2
chemspiderid: 108516
dtxsid: DTXSID2067535
formula: C14H4F25I1
inchikey: DBXLDZXWSFMBRB-UHFFFAOYSA-N
norman_susdat_id: NS00011024
pubchem_cid: 121613
smiles: C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
inchi:
InChI=1S/C14H4F25I/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2


name: 4-[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonic acid
cas: 30047-37-1
formula: C16H16N4O7S
inchikey: XSJBDLAZVFZVTD-FPLPWBNLSA-N
norman_susdat_id: NS00050269
pubchem_cid: 6912172
smiles: O=C(O)C=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC=2N=C(N=C(OC)C2)OC
inchi:
InChI=1/C16H16N4O7S/c1-26-14-9-12(18-16(19-14)27-2)20-28(24,25)11-5-3-10(4-6-11)17-13(21)7-8-15(22)23/h3-9H,1-2H3,(H,17,21)(H,22,23)(H,18,19,20)


name: 1-Hexadecanaminium, N-ethyl-N,N-dimethyl-, ethyl sulfate (1:1)
cas: 3006-10-8
dtxsid: DTXSID60883932
formula: C22H49NO4S
inchikey: UUHBNESUDPIHCI-UHFFFAOYSA-M
norman_susdat_id: NS00075660
smiles: CCOS([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+](C)(C)CC
inchi:
InChI=1S/C20H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-6-7(3,4)5/h5-20H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Ethyl ethyldimethyl-9-octadecenylammonium sulphate
cas: 3006-12-0
formula: C22H46N.C2H5O4S
inchikey: AKXLMNZSBMMTNL-UHFFFAOYSA-M
norman_susdat_id: NS00083343
smiles: C[N+](C)(CC)CCCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)OCC
inchi:
InChI=1/C22H46N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-2-6-7(3,4)5/h13-14H,5-12,15-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Sodium 1,4-dihexyl sulfosuccinate
cas: 3006-15-3
chemspiderid: 74150
dtxsid: DTXSID3042392
formula: C16H30O7S1
inchikey: SOSQXPIKTBUEKF-UHFFFAOYSA-N
norman_susdat_id: NS00013584
pubchem_cid: 82160
smiles: [Na+].CCCCCCOC(=O)CC(C(=O)OCCCCCC)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H30O7S.Na/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1/p-1


cas: 30061-30-4
chemspiderid: 21229674
dtxsid: DTXSID50184127
formula: C21H26N2O2
inchikey: BFVXDLZRORZNHX-OBEKMTESSA-N
norman_susdat_id: NS00028832
pubchem_cid: 56841680
smiles: Cl.CCC12CCCN3CCC4(C13)C(=C(C2)C(=O)OC)Nc1ccccc41
name:
Aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, hydrochloride, (5alpha,12beta,19alpha)-

inchi:
InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3/t19-,20+,21+/m1/s1


name: 7-Nitro-3-phenyl-1-naphthyl 4-nitrophenylacetate
cas: 30069-73-9
chemspiderid: 108517
dtxsid: DTXSID40184136
formula: C24H16N2O6
inchikey: IGPNRRLOXTVJSE-UHFFFAOYSA-N
norman_susdat_id: NS00028834
pubchem_cid: 121614
smiles: [O-][N+](=O)c1ccc(CC(=O)Oc2c3cc(ccc3cc(c2)c2ccccc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C24H16N2O6/c27-24(12-16-6-9-20(10-7-16)25(28)29)32-23-14-19(17-4-2-1-3-5-17)13-18-8-11-21(26(30)31)15-22(18)23/h1-11,13-15H,12H2


name: 1-Dodecanamine, N-dodecyl-
cas: 3007-31-6
chemspiderid: 17150
dtxsid: DTXSID4062777
formula: C24H51N1
inchikey: MJCJUDJQDGGKOX-UHFFFAOYSA-N
norman_susdat_id: NS00022012
pubchem_cid: 18157
smiles: CCCCCCCCCCCCNCCCCCCCCCCCC
inchi:
InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3


name: N-Dodecylaniline
cas: 3007-74-7
chemspiderid: 68839
dtxsid: DTXSID1073311
formula: C18H31N1
inchikey: LQKYCMRSWKQVBQ-UHFFFAOYSA-N
norman_susdat_id: NS00028838
pubchem_cid: 76362
smiles: CCCCCCCCCCCCNc1ccccc1
inchi:
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3


name: 4-(m-hydroxyphenyl)-4-phenylperhydroimidazole-2,5-dione
cas: 30074-03-4
dtxsid: DTXSID30952482
formula: C15H12N2O3
inchikey: FSPRLRPJSPWQNC-UHFFFAOYSA-N
norman_susdat_id: NS00050254
pubchem_cid: 91597
smiles: O=C1NC(=O)C(N1)(C=2C=CC=CC2)C=3C=CC=C(O)C3
inchi:
InChI=1/C15H12N2O3/c18-12-8-4-7-11(9-12)15(10-5-2-1-3-6-10)13(19)16-14(20)17-15/h1-9,18H,(H2,16,17,19,20)


name: 3-anilino-2-veratrylacrylonitrile
cas: 30077-75-9
formula: C18H18N2O2
inchikey: WRWFNXNJEVRTQT-FYWRMAATSA-N
norman_susdat_id: NS00050990
pubchem_cid: 22788897
smiles: N#CC(=CNC=1C=CC=CC1)CC2=CC=C(OC)C(OC)=C2
inchi:
InChI=1/C18H18N2O2/c1-21-17-9-8-14(11-18(17)22-2)10-15(12-19)13-20-16-6-4-3-5-7-16/h3-9,11,13,20H,10H2,1-2H3


name: 3-morpholino-2-(3,4,5-trimethoxybenzyl)acrylonitrile
cas: 30077-81-7
formula: C17H22N2O4
inchikey: COJLXRBNOHYGDQ-WYMLVPIESA-N
norman_susdat_id: NS00050255
pubchem_cid: 121620
smiles: N#CC(=CN1CCOCC1)CC2=CC(OC)=C(OC)C(OC)=C2
inchi:
InChI=1/C17H22N2O4/c1-20-15-9-13(10-16(21-2)17(15)22-3)8-14(11-18)12-19-4-6-23-7-5-19/h9-10,12H,4-8H2,1-3H3


name: 3-morpholino-2-veratrylacrylonitrile
cas: 30077-88-4
formula: C16H20N2O3
inchikey: RENFBGHOGQAHSK-WYMLVPIESA-N
norman_susdat_id: NS00049694
pubchem_cid: 21151048
smiles: N#CC(=CN1CCOCC1)CC2=CC=C(OC)C(OC)=C2
inchi:
InChI=1/C16H20N2O3/c1-19-15-4-3-13(10-16(15)20-2)9-14(11-17)12-18-5-7-21-8-6-18/h3-4,10,12H,5-9H2,1-2H3


name: 3-anilino-2-(3,4,5,-trimethoxybenzyl)acrylonitrile
cas: 30078-48-9
formula: C19H20N2O3
inchikey: LMGNGGBSQVPQCO-UHFFFAOYSA-N
norman_susdat_id: NS00049696
pubchem_cid: 121623
smiles: N#CC(=CNC=1C=CC=CC1)CC2=CC(OC)=C(OC)C(OC)=C2
inchi:
InChI=1/C19H20N2O3/c1-22-17-10-14(11-18(23-2)19(17)24-3)9-15(12-20)13-21-16-7-5-4-6-8-16/h4-8,10-11,13,21H,9H2,1-3H3


name: 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate
cas: 3008-50-2
dtxsid: DTXSID00863076
formula: C37H68O8
inchikey: CFRNDJFRRKMHTL-UHFFFAOYSA-N
norman_susdat_id: NS00048213
pubchem_cid: 76366
smiles: O=C(OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC
inchi:
InChI=1/C37H68O8/c1-5-9-13-17-21-25-33(38)42-29-37(30-43-34(39)26-22-18-14-10-6-2,31-44-35(40)27-23-19-15-11-7-3)32-45-36(41)28-24-20-16-12-8-4/h5-32H2,1-4H3


name: 9,10-Anthracenedione, 1,5-bis[[4-(dimethylamino)phenyl]amino]-
cas: 3008-76-2
chemspiderid: 68844
dtxsid: DTXSID4062779
formula: C30H28N4O2
inchikey: MPORBOAYQHWUMK-UHFFFAOYSA-N
norman_susdat_id: NS00028844
pubchem_cid: 76367
smiles: CN(C)c1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(cc4)N(C)C)c2C3=O)cc1
inchi:
InChI=1S/C30H28N4O2/c1-33(2)21-15-11-19(12-16-21)31-25-9-5-7-23-27(25)29(35)24-8-6-10-26(28(24)30(23)36)32-20-13-17-22(18-14-20)34(3)4/h5-18,31-32H,1-4H3


name: 7H-Dibenz[f,ij]isoquinolin-7-one, 4-(cyclohexylamino)-2-methyl-
cas: 3008-87-5
chemspiderid: 68845
dtxsid: DTXSID3062780
formula: C23H22N2O1
inchikey: SUVPVSBKLBGBFW-UHFFFAOYSA-N
norman_susdat_id: NS00028845
pubchem_cid: 76368
smiles: Cc1nc2c(NC3CCCCC3)ccc3c2c(c1)c1c(cccc1)C3=O
inchi:
InChI=1S/C23H22N2O/c1-14-13-19-16-9-5-6-10-17(16)23(26)18-11-12-20(22(24-14)21(18)19)25-15-7-3-2-4-8-15/h5-6,9-13,15,25H,2-4,7-8H2,1H3


name: 1-[[(3-nitrophenyl)methoxy]methyl]pyridinium chloride
cas: 3009-13-0
dtxsid: DTXSID40883935
formula: C13H14N2O3
inchikey: BITDLWAQPKSXTF-UHFFFAOYSA-M
norman_susdat_id: NS00048886
pubchem_cid: 76370
smiles: [Cl-].O=[N+]([O-])C1=CC=CC(=C1)COC[N+]=2C=CC=CC2
inchi:
InChI=1/C13H13N2O3.ClH/c16-15(17)13-6-4-5-12(9-13)10-18-11-14-7-2-1-3-8-14;/h1-9H,10-11H2;1H/q+1;/p-1


name: 4,6-dibenzyl-m-cresol
cas: 30091-01-1
dtxsid: DTXSID70952502
formula: C21H20O
inchikey: DSGBRCTVPMDCGH-UHFFFAOYSA-N
norman_susdat_id: NS00050271
pubchem_cid: 121628
smiles: OC=1C=C(C(=CC1CC=2C=CC=CC2)CC=3C=CC=CC3)C
inchi:
InChI=1/C21H20O/c1-16-12-21(22)20(14-18-10-6-3-7-11-18)15-19(16)13-17-8-4-2-5-9-17/h2-12,15,22H,13-14H2,1H3


name: Methyl linolenate
cas: 301-00-8
chebiid: CHEBI:133634
chemspiderid: 4477947
dtxsid: DTXSID5041560
formula: C19H32O2
inchikey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
norman_susdat_id: NS00012941
pubchem_cid: 5319706
smiles: CCC=C/C/C=CCC=C/CCCCCCCC(=O)OC
inchi:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-


name: (9Z)-Octadec-9-enamide
cas: 301-02-0
chemspiderid: 4510066
dtxsid: DTXSID6027137
formula: C18H35N1O1
inchikey: FATBGEAMYMYZAF-UHFFFAOYSA-N
norman_susdat_id: NS00006123
pubchem_cid: 1930
smiles: CCCCCCCCC=CCCCCCCCC(N)=O
inchi:
InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)


name: Lead bis(2-ethylhexanoate)
cas: 301-08-6
formula: C8H16O2.1/2Pb
inchikey: RUCPTXWJYHGABR-UHFFFAOYSA-L
norman_susdat_id: NS00079498
smiles: [Pb+2].[O-]C(=O)C(CC)CCCC.CCC(CCCC)C([O-])=O
inchi:
InChI=1/2C8H16O2.Pb.2H/c2*1-3-5-6-7(4-2)8(9)10;;;/h2*7H,3-6H2,1-2H3,(H,9,10);;;/q;;+4;;/p-2/r2C8H16O2.H2Pb/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);1H2/q;;+4/p-2


name: Tris(2-ethylhexyl) phosphite
cas: 301-13-3
chemspiderid: 8959
dtxsid: DTXSID4026264
formula: C24H51O3P1
inchikey: ILLOBGFGKYTZRO-UHFFFAOYNA-N
norman_susdat_id: NS00028859
pubchem_cid: NA
smiles: CCCCC(CC)COP(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1S/C24H51O3P/c1-7-13-16-22(10-4)19-25-28(26-20-23(11-5)17-14-8-2)27-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3/t22-,23-,24-/m1/s1


name: Robinin
cas: 301-19-9
chebiid: CHEBI:8878
chemspiderid: 4445010
dtxsid: DTXSID50417725
formula: C33H40O19
inchikey: PEFASEPMJYRQBW-HKWQTAEVSA-N
norman_susdat_id: NS00015843
pubchem_cid: 5281693
inchi:
InChI=1S/C33H40O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21-,23+,24+,25-,26+,27+,28+,31+,32-,33-/m0/s1

smiles:
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O


name: 1H-Imidazole-1-ethanamine, 2-heptadecyl-4,5-dihydro-
cas: 3010-23-9
chemspiderid: 68851
dtxsid: DTXSID3062782
formula: C22H45N3
inchikey: ZDESIKLNPAKKBA-UHFFFAOYSA-N
norman_susdat_id: NS00019892
pubchem_cid: 76374
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCN
inchi:
InChI=1S/C22H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2-21,23H2,1H3


name: 1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-methyl-, chloride
cas: 3010-24-0
chemspiderid: 68852
dtxsid: DTXSID0041276
formula: C23H50N1O2
inchikey: SUZSZZWHCFLFSP-UHFFFAOYSA-M
norman_susdat_id: NS00022013
pubchem_cid: 76375
smiles: [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(CCO)CCO
inchi:
InChI=1S/C23H50NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26/h25-26H,3-23H2,1-2H3/q+1


name: N,N-Diethyl-4-[(4-Ethoxyphenyl)azo]aniline
cas: 3010-63-7
chemspiderid: 68854
dtxsid: DTXSID3062784
formula: C18H23N3O1
inchikey: AYKNBEUSHQHYSX-UHFFFAOYSA-N
norman_susdat_id: NS00028855
pubchem_cid: 76378
smiles: CCOc1ccc(cc1)N=Nc1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C18H23N3O/c1-4-21(5-2)17-11-7-15(8-12-17)19-20-16-9-13-18(14-10-16)22-6-3/h7-14H,4-6H2,1-3H3/b20-19+


name: 4,4',4''-Trimethoxytrityl alcohol
cas: 3010-81-9
chemspiderid: 68856
dtxsid: DTXSID10184188
formula: C22H22O4
inchikey: JCLOLVVCZNYDIP-UHFFFAOYSA-N
norman_susdat_id: NS00028857
pubchem_cid: 76380
smiles: COc1ccc(cc1)C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1
inchi:
InChI=1S/C22H22O4/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15,23H,1-3H3


name: 4,6-Dinonyl-o-cresol
cas: 3011-61-8
chemspiderid: 68859
dtxsid: DTXSID8062785
formula: C25H44O1
inchikey: SGHSRBYSXCNJLP-UHFFFAOYSA-N
norman_susdat_id: NS00028861
pubchem_cid: 76383
smiles: CCCCCCCCCc1cc(CCCCCCCCC)c(O)c(C)c1
inchi:
InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)25(26)24(21-23)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3


name: 4,4'-[hexane-1,6-diylbis[imino(1-hydroxyethylene)]]dipyrocatechol sulphate
cas: 30117-45-4
formula: C22H32N2O6
inchikey: CSCDCOQSIWXPSZ-UHFFFAOYSA-N
norman_susdat_id: NS00050300
pubchem_cid: 69304247
smiles: O=S(=O)(O)O.OC1=CC=C(C=C1O)CC(O)NCCCCCCNC(O)CC2=CC=C(O)C(O)=C2
inchi:
InChI=1/C22H32N2O6.H2O4S/c25-17-7-5-15(11-19(17)27)13-21(29)23-9-3-1-2-4-10-24-22(30)14-16-6-8-18(26)20(28)12-16;1-5(2,3)4/h5-8,11-12,21-30H,1-4,9-10,13-14H2;(H2,1,2,3,4)


name: 2-[[3-[[(dichlorofluoromethyl)thio](trifluoromethyl)amino]benzoyl]oxy]benzoic acid
cas: 30119-19-8
dtxsid: DTXSID90184202
formula: C16H9Cl2F4NO4S
inchikey: NBTXKWRXRYHDFF-UHFFFAOYSA-N
norman_susdat_id: NS00050301
pubchem_cid: 3015492
smiles: O=C(O)C=1C=CC=CC1OC(=O)C2=CC=CC(=C2)N(SC(F)(Cl)Cl)C(F)(F)F
inchi:
InChI=1/C16H9Cl2F4NO4S/c17-15(18,19)28-23(16(20,21)22)10-5-3-4-9(8-10)14(26)27-12-7-2-1-6-11(12)13(24)25/h1-8H,(H,24,25)


name: N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis(2,5-dichlorobenzamide)
cas: 30124-48-2
dtxsid: DTXSID50952545
formula: C28H14Cl4N2O6
inchikey: XNKIMCFCHIJKFB-UHFFFAOYSA-N
norman_susdat_id: NS00049767
pubchem_cid: 121638
smiles: O=C(NC1=CC=C(O)C=2C(=O)C=3C(=CC=C(O)C3C(=O)C12)NC(=O)C4=CC(Cl)=CC=C4Cl)C5=CC(Cl)=CC=C5Cl
inchi:
InChI=1/C28H14Cl4N2O6/c29-11-1-3-15(31)13(9-11)27(39)33-17-5-7-19(35)23-21(17)25(37)24-20(36)8-6-18(22(24)26(23)38)34-28(40)14-10-12(30)2-4-16(14)32/h1-10,35-36H,(H,33,39)(H,34,40)


name: Disperse Red 82
cas: 30124-94-8
chemspiderid: 108535
dtxsid: DTXSID6044642
formula: C21H21N5O6
inchikey: GRMDKKJYMUDEJO-WCWDXBQESA-N
norman_susdat_id: NS00020188
pubchem_cid: NA
smiles: CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C21H21N5O6/c1-15(27)31-11-9-25(10-12-32-16(2)28)19-5-3-18(4-6-19)23-24-21-8-7-20(26(29)30)13-17(21)14-22/h3-8,13H,9-12H2,1-2H3/b24-23+


name: C.I. Pigment Yellow 138
cas: 30125-47-4
chemspiderid: 4576475
dtxsid: DTXSID2067539
formula: C26H6Cl8N2O4
inchikey: ZEHOVWPIGREOPO-UHFFFAOYSA-N
norman_susdat_id: NS00006919
pubchem_cid: 5463973
smiles: Clc1c2C(=O)C(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccc2cccc(N3C(=O)c4c(C3=O)c(Cl)c(Cl)c(Cl)c4Cl)c2n1
inchi:
InChI=1S/C26H6Cl8N2O4/c27-14-10-11(15(28)19(32)18(14)31)24(38)9(23(10)37)7-5-4-6-2-1-3-8(22(6)35-7)36-25(39)12-13(26(36)40)17(30)21(34)20(33)16(12)29/h1-5,9H


name: 7-((1,3-Dioxobutyl)amino)-3-hydroxynaphthalene-1-sulphonic acid
cas: 30128-32-6
chemspiderid: 108536
dtxsid: DTXSID00184213
formula: C14H13N1O6S1
inchikey: OXPHXVVDAJRNTR-UHFFFAOYSA-N
norman_susdat_id: NS00028865
pubchem_cid: 121640
smiles: CC(=O)CC(=O)Nc1cc2c(cc(O)cc2cc1)S(=O)(=O)O
inchi:
InChI=1S/C14H13NO6S/c1-8(16)4-14(18)15-10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,15,18)(H,19,20,21)


name: Sodium 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethanesulphonate
cas: 3013-94-3
dtxsid: DTXSID6073312
formula: C18H30O5S
inchikey: XBMBHKZYEXQONC-UHFFFAOYSA-M
norman_susdat_id: NS00048248
pubchem_cid: 76387
smiles: [Na+].O=S(=O)([O-])CCOCCOC1=CC=C(C=C1)C(C)(C)CC(C)(C)C
inchi:
InChI=1/C18H30O5S.Na/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)23-11-10-22-12-13-24(19,20)21;/h6-9H,10-14H2,1-5H3,(H,19,20,21);/q;+1/p-1


name: Cytidylyl-(5'<U+2192>3')-uridine
cas: 3013-97-6
formula: C18H24N5O13P
inchikey: LENQVXALZPDAFB-UHFFFAOYSA-N
norman_susdat_id: NS00048272
pubchem_cid: 278571
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=O)NC4=O)C(O)C2O
inchi:
InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-24)34-16(13(14)28)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)


cas: 30132-47-9
formula: C25H28N4O4
inchikey: BTXMQQSMQACNGJ-UHFFFAOYSA-N
norman_susdat_id: NS00050962
pubchem_cid: 121641
smiles: N#CC=1C(=O)N(C(=O)C(=CC=CC2=C(O)N(C(=O)C(C#N)=C2C)CCCC)C1C)CCCC
name:
1-butyl-5-[3-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)allylidene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile

inchi:
InChI=1/C25H28N4O4/c1-5-7-12-28-22(30)18(16(3)20(14-26)24(28)32)10-9-11-19-17(4)21(15-27)25(33)29(23(19)31)13-8-6-2/h9-11,30H,5-8,12-13H2,1-4H3


name: Brd-k35178876-001-01-7
cas: 301321-93-7
formula: C18H22N2O2S2
inchikey: NZTHBWHANVWSRX-UHFFFAOYSA-N
norman_susdat_id: NS00068438
pubchem_cid: 1190625
smiles: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
inchi:
InChI=1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)


name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide
cas: 301335-14-8
chemspiderid: 1449215
dtxsid: DTXSID30365432
formula: C11H10N4O3S2
inchikey: OJEYIDDDKFLBSM-UHFFFAOYSA-N
norman_susdat_id: NS00018257
pubchem_cid: 1873398
smiles: C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(S3)N
inchi:
InChI=1S/C11H10N4O3S2/c12-10-14-15-11(20-10)19-4-9(16)13-6-1-2-7-8(3-6)18-5-17-7/h1-3H,4-5H2,(H2,12,14)(H,13,16)


name: 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bisphthalic acid
cas: 3016-76-0
dtxsid: DTXSID8062789
formula: C19H10F6O8
inchikey: APXJLYIVOFARRM-UHFFFAOYSA-N
norman_susdat_id: NS00048887
pubchem_cid: 76394
smiles: O=C(O)C1=CC=C(C=C1C(=O)O)C(C2=CC=C(C(=O)O)C(=C2)C(=O)O)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)


name: cyclohexene, 4-(4-ethylcyclohexyl)-1-pentyl-
cas: 301643-32-3
dtxsid: DTXSID00880844
formula: C19H34
inchikey: AWAVRLOLQQEYTI-UHFFFAOYSA-N
norman_susdat_id: NS00095901
smiles: CCCCCC1=CCC(CC1)C1CCC(CC)CC1
inchi:
InChI=1/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10,16,18-19H,3-9,11-15H2,1-2H3


name: Methyl N-[4-(2,2-dicyanovinyl)-m-tolyl]-N-phenethyl-ß-alaninate
cas: 30165-79-8
dtxsid: DTXSID70885467
formula: C23H23N3O2
inchikey: CKVFZBMKRBUULD-UHFFFAOYSA-N
norman_susdat_id: NS00050963
pubchem_cid: 21120070
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CCC(=O)OC)CCC=2C=CC=CC2
inchi:
InChI=1/C23H23N3O2/c1-18-14-22(9-8-21(18)15-20(16-24)17-25)26(13-11-23(27)28-2)12-10-19-6-4-3-5-7-19/h3-9,14-15H,10-13H2,1-2H3


name: Coxib
cas: 301692-76-2
formula: C18H16FNO4S
inchikey: IJWPAFMIFNSIGD-UHFFFAOYSA-N
norman_susdat_id: NS00068325
pubchem_cid: 9841854
smiles: CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O
inchi:
InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)


name: Azophthalic anhydride
cas: 30178-84-8
chemspiderid: NA
dtxsid: DTXSID80184256
formula: C16H6N2O6
inchikey: RSAGQQQIRZLFHJ-ISLYRVAYSA-N
norman_susdat_id: NS00028872
pubchem_cid: NA
smiles: O=C1OC(=O)c2c1cccc2N=Nc1cccc2c1C(=O)OC2=O
inchi:
InChI=1S/C16H6N2O6/c19-13-7-3-1-5-9(11(7)15(21)23-13)17-18-10-6-2-4-8-12(10)16(22)24-14(8)20/h1-6H/b18-17+


name: N-Dodecyl-N-methylaniline
cas: 30189-91-4
chemspiderid: 91604
dtxsid: DTXSID60184259
formula: C19H33N1
inchikey: GOJIVVWJAXAPGS-UHFFFAOYSA-N
norman_susdat_id: NS00028873
pubchem_cid: 101374
smiles: CCCCCCCCCCCCN(C)c1ccccc1
inchi:
InChI=1S/C19H33N/c1-3-4-5-6-7-8-9-10-11-15-18-20(2)19-16-13-12-14-17-19/h12-14,16-17H,3-11,15,18H2,1-2H3


name: 4'-acetamido-2-[(5-carbamoyl-2-chlorophenyl)azo]acetoacetanilide
cas: 30191-02-7
formula: C19H18ClN5O4
inchikey: OCLOXVCMJUKGJZ-UHFFFAOYSA-N
norman_susdat_id: NS00051013
pubchem_cid: NA
smiles: O=C(N)C1=CC=C(Cl)C(N=NCC(=O)CC(=O)NC2=CC=C(C=C2)NC(=O)C)=C1
inchi:
InChI=1/C19H18ClN5O4/c1-11(26)23-13-3-5-14(6-4-13)24-18(28)9-15(27)10-22-25-17-8-12(19(21)29)2-7-16(17)20/h2-8H,9-10H2,1H3,(H2,21,29)(H,23,26)(H,24,28)


name: Chlormadinone acetate
cas: 302-22-7
chebiid: CHEBI:31394
chemspiderid: 8963
dtxsid: DTXSID6020274
formula: C23H29Cl1O4
inchikey: QMBJSIBWORFWQT-DFXBJWIESA-N
norman_susdat_id: NS00004056
pubchem_cid: 9324
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
inchi:
InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1


name: hydroxyprogesterone acetate
cas: 302-23-8
chemspiderid: 78055
formula: C23H32O4
inchikey: VTHUYJIXSMGYOQ-UHFFFAOYSA-N
norman_susdat_id: NS00005869
pubchem_cid: 86543
smiles: CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
inchi:
InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3


name: Prednisolone phosphate
cas: 302-25-0
chebiid: CHEBI:145705
chemspiderid: 65064
dtxsid: DTXSID7047481
formula: C21H29O8P1
inchikey: JDOZJEUDSLGTLU-VWUMJDOOSA-N
norman_susdat_id: NS00028881
pubchem_cid: 72078
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COP(=O)(O)O
inchi:
InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15+,16-,18+,19+,20-,21-/m1/s1


name: Aconitine
cas: 302-27-2
chebiid: CHEBI:2430
chemspiderid: 214292
dtxsid: DTXSID4046319
formula: C34H47N1O11
inchikey: XFSBVAOIAHNAPC-XTHSEXKGSA-N
norman_susdat_id: NS00004122
pubchem_cid: 245005
inchi:
InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1

smiles:
CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](C[C@H]2O)OC


name: Toxiferine
cas: 302-30-7
chebiid: CHEBI:9644
dtxsid: DTXSID30897243
formula: C40H46N4O2
inchikey: IIYHWTVUYIYKKG-QQRSFBQTSA-N
norman_susdat_id: NS00075430
inchi:
InChI=1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1

smiles:
[H][C@@]12C[C@@]3([H])C(C[N@+]1(C)CC[C@@]21C2=CC=CC=C2N2C=C4/[C@]5([H])N(C=C3/[C@@]12[H])C1=CC=CC=C1[C@@]51CC[N@@+]2(C)CC(=CCO)[C@]4([H])C[C@@]12[H])=C/CO


name: Morphine tartrate
cas: 302-31-8
formula: C17H19NO3.1/2C4H6O6
inchikey: NKSQAASSPHISNQ-VYKNHSEDSA-N
norman_susdat_id: NS00079500
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C17H19NO3.C4H6O6/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;5-1(3(7)8)2(6)4(9)10/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: Proadifen
cas: 302-33-0
chebiid: CHEBI:92811
chemspiderid: 4741
dtxsid: DTXSID2048452
formula: C23H31N1O2
inchikey: SNTQPLDRUZOSDP-UHFFFAOYSA-N
norman_susdat_id: NS00015025
pubchem_cid: 4910
smiles: CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(CC)CC
inchi:
InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3


name: Benactyzine
cas: 302-40-9
chebiid: CHEBI:94775
chemspiderid: 8966
dtxsid: DTXSID0022644
formula: C20H25N1O3
inchikey: IVQOFBKHQCTVQV-UHFFFAOYSA-N
norman_susdat_id: NS00007487
pubchem_cid: 9330
smiles: CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3


name: Piritramide [INN:BAN:DCF]
cas: 302-41-0
chebiid: CHEBI:135699
chemspiderid: 8967
dtxsid: DTXSID00184293
formula: C27H34N4O1
inchikey: IHEHEFLXQFOQJO-UHFFFAOYSA-N
norman_susdat_id: NS00007011
pubchem_cid: 9331
smiles: NC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)N1CCCCC1
inchi:
InChI=1S/C27H34N4O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)14-19-30-20-15-27(16-21-30,25(29)32)31-17-8-3-9-18-31/h1-2,4-7,10-13H,3,8-9,14-21H2,(H2,29,32)


name: 17-a-methyloestradiol-17-beta
cas: 302-76-1
formula: C19H26O2
inchikey: JXQJDYXWHSVOEF-UHFFFAOYSA-N
norman_susdat_id: NS00041889
pubchem_cid: 520471
smiles: OC1=CC=C2C(=C1)CCC3C2CCC4(C)C3CCC4(O)C
inchi:
InChI=1/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h4,6,11,15-17,20-21H,3,5,7-10H2,1-2H3


name: 3alpha,5alpha-Tetrahydrocortisol
cas: 302-91-0
chebiid: CHEBI:89627
chemspiderid: 83726
dtxsid: DTXSID80861575
formula: C21H34O5
inchikey: AODPIQQILQLWGS-FDSHTENPSA-N
norman_susdat_id: NS00018319
pubchem_cid: 92748
smiles: CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O
inchi:
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1


name: Etienic acid
cas: 302-97-6
chemspiderid: 89868
dtxsid: DTXSID0057706
formula: C20H28O3
inchikey: YQACAXHKQZCEOI-UDCWSGSHSA-N
norman_susdat_id: NS00011524
pubchem_cid: 99472
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
inchi:
InChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1


name: Benzenamine, 3,3'-[sulfonylbis(4,1-phenyleneoxy)]bis-
cas: 30203-11-3
chemspiderid: 94039
dtxsid: DTXSID1067542
formula: C24H20N2O4S1
inchikey: WCXGOVYROJJXHA-UHFFFAOYSA-N
norman_susdat_id: NS00028877
pubchem_cid: 121657
smiles: Nc1cc(Oc2ccc(cc2)S(=O)(=O)c2ccc(Oc3cc(N)ccc3)cc2)ccc1
inchi:
InChI=1S/C24H20N2O4S/c25-17-3-1-5-21(15-17)29-19-7-11-23(12-8-19)31(27,28)24-13-9-20(10-14-24)30-22-6-2-4-18(26)16-22/h1-16H,25-26H2


name: 6-thioinosine 2',3',5'-triacetate
cas: 3021-21-4
dtxsid: DTXSID80952598
formula: C16H18N4O7S
inchikey: MENHRYRSGYYUJA-UHFFFAOYSA-N
norman_susdat_id: NS00048925
pubchem_cid: NA
smiles: O=C(OCC1OC(N2C=NC=3C(S)=NC=NC32)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C16H18N4O7S/c1-7(21)24-4-10-12(25-8(2)22)13(26-9(3)23)16(27-10)20-6-19-11-14(20)17-5-18-15(11)28/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,28)


name: 2-(p-tert-butylphenoxy)cyclohexyl chlorosulphite
cas: 3021-31-6
dtxsid: DTXSID20883938
formula: C16H23ClO3S
inchikey: WAAUJYWIXWENKQ-UHFFFAOYSA-N
norman_susdat_id: NS00048324
pubchem_cid: 18183
smiles: O=S(Cl)OC1CCCCC1OC2=CC=C(C=C2)C(C)(C)C
inchi:
InChI=1/C16H23ClO3S/c1-16(2,3)12-8-10-13(11-9-12)19-14-6-4-5-7-15(14)20-21(17)18/h8-11,14-15H,4-7H2,1-3H3


name: Perfluoro-2,7-dimethyloctane
cas: 3021-63-4
chemspiderid: 17176
dtxsid: DTXSID00184314
formula: C10F22
inchikey: OBAVAMUHCSFDSY-UHFFFAOYSA-N
norman_susdat_id: NS00018903
pubchem_cid: 18184
smiles: FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22/c11-1(7(21,22)23,8(24,25)26)3(13,14)5(17,18)6(19,20)4(15,16)2(12,9(27,28)29)10(30,31)32


name: 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
cas: 30223-73-5
chebiid: CHEBI:80645
chemspiderid: 4509491
dtxsid: DTXSID10880951
formula: C20H23N1
inchikey: AJRJPORIQGYFMT-RMOCHZDMSA-N
norman_susdat_id: NS00000408
pubchem_cid: 5352621
smiles: C/C=C/1C(CC(N1C)C)(C2=CC=CC=C2)C3=CC=CC=C3
inchi:
InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4+


name: 2-ethyl-5-methyl-3,3-diphenylpyraline
cas: 30223-74-6
chebiid: CHEBI:80646
chemspiderid: 8055045
formula: C19H21N1
inchikey: UPZKJIHNKKJIKX-UHFFFAOYSA-N
norman_susdat_id: NS00003482
pubchem_cid: 9879368
smiles: CCC1=NC(C)CC1(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C19H21N/c1-3-18-19(14-15(2)20-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3


name: GLYCERYL BEHENATE
cas: 30233-64-8
chemspiderid: 108551
formula: C25H50O4
inchikey: DNULQWTYMFQUHB-UHFFFAOYSA-N
norman_susdat_id: NS00013688
pubchem_cid: 121658
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
inchi:
InChI=1S/C25H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h24,26-27H,2-23H2,1H3


name: (5Z)-5-[3-(Dimethylamino)propylidene]-5H-dibenzo[a,d][7]annulen-3-ol
cas: 30235-48-4
formula: C20H21NO
inchikey: UHLPYBQGKLHIFK-UWVJOHFNSA-N
norman_susdat_id: NS00096933
smiles: CN(C)CC/C=C1/C2=CC=CC=C2C=CC3=C1C=C(C=C3)O
inchi:
InChI=1S/C20H21NO/c1-21(2)13-5-8-19-18-7-4-3-6-15(18)9-10-16-11-12-17(22)14-20(16)19/h3-4,6-12,14,22H,5,13H2,1-2H3/b19-8-


name: 3-ethyl-5-[2-(3-ethyl-(3H)-benzothiazol-2-ylidene)-1-methylethylidene]-2-thioxooxazolidine-4-one
cas: 3024-56-4
dtxsid: DTXSID80883939
formula: C17H18N2O2S2
inchikey: OCWJMGGWBJHHFP-UHFFFAOYSA-N
norman_susdat_id: NS00047737
pubchem_cid: 102361
smiles: O=C1C(OC(=S)N1CC)=C(C=C2SC=3C=CC=CC3N2CC)C
inchi:
InChI=1/C17H18N2O2S2/c1-4-18-12-8-6-7-9-13(12)23-14(18)10-11(3)15-16(20)19(5-2)17(22)21-15/h6-10H,4-5H2,1-3H3


name: Benzyldimethylnonylammonium chloride
cas: 3024-71-3
dtxsid: DTXSID20952613
formula: C18H32N
inchikey: YCIAXEFELBZLQG-UHFFFAOYSA-M
norman_susdat_id: NS00047017
pubchem_cid: 23275523
smiles: [Cl-].C=1C=CC(=CC1)C[N+](C)(C)CCCCCCCCC
inchi:
InChI=1/C18H32N.ClH/c1-4-5-6-7-8-9-13-16-19(2,3)17-18-14-11-10-12-15-18;/h10-12,14-15H,4-9,13,16-17H2,1-3H3;1H/q+1;/p-1


name: Bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizinium, 6,7-dihydro-13-methyl-
cas: 30243-28-8
chemspiderid: 129910
dtxsid: DTXSID00184339
formula: C20H16NO4
inchikey: YESPQCLKTIRGLU-UHFFFAOYSA-N
norman_susdat_id: NS00094594
pubchem_cid: 147329
smiles: CC1=C2C=CC3=C(OCO3)C2=C[N+]2=C1C1=CC3=C(OCO3)C=C1CC2
inchi:
InChI=1S/C20H16NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-8H,4-5,9-10H2,1H3/q+1


name: Baccatin I
cas: 30244-35-0
chemspiderid: 101606280
formula: C32H44O13
inchikey: NHMSEMKTDAYSGW-GBOMIYAHSA-N
norman_susdat_id: NS00093869
smiles:
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@@]4([C@H]3[C@@H]([C@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C


cas: 30246-33-4
chemspiderid: 32083
formula: C11H12N4O3S3
inchikey: HJSGHKMSDOLGJJ-VJSCVCEBSA-N
norman_susdat_id: NS00009236
pubchem_cid: 34862
smiles: Cc1nnc(SCC2=C(N3C(SC2)[C@H](N)C3=O)C(O)=O)s1
name:
(6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C11H12N4O3S3/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18/h6,9H,2-3,12H2,1H3,(H,17,18)/t6-,9?/m1/s1


name: Ethanol, 2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-
cas: 3025-41-0
chemspiderid: 68879
dtxsid: DTXSID7062794
formula: C16H17Cl1N4O4
inchikey: JIPUSMUWJRCMRR-UHFFFAOYSA-N
norman_susdat_id: NS00028884
pubchem_cid: 76404
smiles: OCCN(CCO)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H17ClN4O4/c17-15-11-14(21(24)25)5-6-16(15)19-18-12-1-3-13(4-2-12)20(7-9-22)8-10-23/h1-6,11,22-23H,7-10H2/b19-18+


name: N,N-diethyl-4-[(4-nitrophenyl)azo]aniline
cas: 3025-52-3
formula: C16H19N4O2
inchikey: LVQIWDUSUJTZJF-UHFFFAOYSA-N
norman_susdat_id: NS00047738
pubchem_cid: 18186
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC)C=C1
inchi:
InChI=1/C16H18N4O2/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)20(21)22/h5-12H,3-4H2,1-2H3


name: C.I. Solvent Red 5
cas: 3025-77-2
chemspiderid: 500365
dtxsid: DTXSID2025769
formula: C16H12N4O2
inchikey: VERRKUAVICFWGH-VHEBQXMUSA-N
norman_susdat_id: NS00021109
pubchem_cid: NA
smiles: Nc1ccc2ccccc2c1N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H12N4O2/c17-15-10-5-11-3-1-2-4-14(11)16(15)19-18-12-6-8-13(9-7-12)20(21)22/h1-10H,17H2/b19-18+


name: N-ethyl-N-[p-[(p-nitrophenyl)azo]phenyl]benzylamine
cas: 3025-78-3
formula: C21H21N4O2
inchikey: UTUZCERLQWINGV-UHFFFAOYSA-N
norman_susdat_id: NS00047728
pubchem_cid: 76405
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC=3C=CC=CC3)CC)C=C1
inchi:
InChI=1/C21H20N4O2/c1-2-24(16-17-6-4-3-5-7-17)20-12-8-18(9-13-20)22-23-19-10-14-21(15-11-19)25(26)27/h3-15H,2,16H2,1H3


name: 8-(phenylamino)-5-[[4-[(5-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonic acid
cas: 30255-64-2
formula: C36H25N5O6S2
inchikey: JWRKFFQQNVQJLW-UHFFFAOYSA-N
norman_susdat_id: NS00083802
smiles: OS(=O)(=O)c7cccc6c7cccc6N=Nc5ccc(N=Nc3ccc(Nc1ccccc1)c2c(cccc23)S(O)(=O)=O)c4ccccc45
inchi:
InChI=1/C36H25N5O6S2/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47/h1-22,37H,(H,42,43,44)(H,45,46,47)


name: Acetic acid, 2,2'-thiobis-, diisooctyl ester
cas: 30259-83-7
chemspiderid: 108555
dtxsid: DTXSID6067545
formula: C20H38O4S1
inchikey: KICFDIUUBONLHK-UHFFFAOYSA-N
norman_susdat_id: NS00028887
pubchem_cid: 121662
smiles: CC(C)CCCCCOC(=O)CSCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C20H38O4S/c1-17(2)11-7-5-9-13-23-19(21)15-25-16-20(22)24-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3


name: Barium bis(octylphenolate)
cas: 30259-97-3
formula: C14H22O.1/2Ba
inchikey: BPDLYJNUZBXKKA-UHFFFAOYSA-L
norman_susdat_id: NS00084067
smiles: [Ba+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C14H22O.Ba/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2


name: SODIUM TRIDECYL SUL- FATE
cas: 3026-63-9
chemspiderid: 17182
formula: C13H28O4S1
inchikey: QTUIJRIDZOSXHJ-UHFFFAOYSA-N
norman_susdat_id: NS00014093
pubchem_cid: 18191
smiles: [Na+].CCCCCCCCCCCCCO[S]([O-])(=O)=O
inchi:
InChI=1S/C13H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+1/p-1


name: 2,2'-[(dibutylstannylene)bis(thio)]diethanol
cas: 3026-81-1
dtxsid: DTXSID7062796
formula: C12H28O2S2Sn
inchikey: ZFWGNAOKHGCBSE-UHFFFAOYSA-L
norman_susdat_id: NS00047079
pubchem_cid: NA
smiles: OCCS[Sn](SCCO)(CCCC)CCCC
inchi:
InChI=1/2C4H9.2C2H6OS.Sn/c2*1-3-4-2;2*3-1-2-4;/h2*1,3-4H2,2H3;2*3-4H,1-2H2;/q;;;;+2/p-2/rC12H28O2S2Sn/c1-3-5-11-17(12-6-4-2,15-9-7-13)16-10-8-14/h13-14H,3-12H2,1-2H3


name: dodecylbenzenesulfonic acid
cas: 30260-72-1
chemspiderid: 10143891
formula: C24H34O7S2
inchikey: YRGITHMOPRWANQ-UHFFFAOYSA-N
norman_susdat_id: NS00040864
pubchem_cid: NA
smiles: CCCCCCCCCCCCc1cccc(c1Oc1ccccc1S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C24H34O7S2/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-14-19-23(33(28,29)30)24(20)31-21-17-12-13-18-22(21)32(25,26)27/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30)


name: 7-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)amino]heptanoic acid hydrochloride
cas: 30272-08-3
chebiid: CHEBI:50003
formula: C22H27NO2.ClH
inchikey: VDPUXONTAVMIKZ-UHFFFAOYSA-N
norman_susdat_id: NS00084074
smiles: Cl.OC(=O)CCCCCCNC1c2ccccc2CCc3ccccc13
inchi:
InChI=1/C22H27NO2.ClH/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22;/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25);1H


name: Cyclovirobuxine C
cas: 30276-35-8
chebiid: CHEBI:4032
chemspiderid: 391276
dtxsid: DTXSID10332026
formula: C27H48N2O
inchikey: IDOHCEDWHOEHNL-ZUDQDPCPSA-N
norman_susdat_id: NS00094637
pubchem_cid: 442973
smiles: CN[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]2CC[C@H]3C1(C)C
inchi:
InChI=1S/C27H48N2O/c1-17(29(7)8)22-18(30)15-25(5)20-10-9-19-23(2,3)21(28-6)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h17-22,28,30H,9-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26+,27-/m0/s1


name: Diethylamino hydroxybenzoyl hexyl benzoate
cas: 302776-68-7
chebiid: CHEBI:136006
chemspiderid: 8286957
dtxsid: DTXSID60184370
formula: C24H31N1O4
inchikey: FDATWRLUYRHCJE-UHFFFAOYSA-N
norman_susdat_id: NS00019490
pubchem_cid: 10111431
smiles: CCCCCCOC(=O)c1c(cccc1)C(=O)c1c(O)cc(cc1)N(CC)CC
inchi:
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3


name: Suclofenide
cas: 30279-49-3
chebiid: CHEBI:135539
formula: C16H13ClN2O4S
inchikey: JUIHCCIFJCSFON-UHFFFAOYSA-N
norman_susdat_id: NS00051016
pubchem_cid: 72094
smiles: O=C1N(C(=O)C(C=2C=CC=CC2)C1)C3=CC=C(C=C3Cl)S(=O)(=O)N
inchi:
InChI=1/C16H13ClN2O4S/c17-13-8-11(24(18,22)23)6-7-14(13)19-15(20)9-12(16(19)21)10-4-2-1-3-5-10/h1-8,12H,9H2,(H2,18,22,23)


name: Trioctyl phosphite
cas: 3028-88-4
dtxsid: DTXSID20184371
formula: C24H51O3P
inchikey: QOQNJVLFFRMJTQ-UHFFFAOYSA-N
norman_susdat_id: NS00047782
pubchem_cid: 76413
smiles: O(P(OCCCCCCCC)OCCCCCCCC)CCCCCCCC
inchi:
InChI=1/C24H51O3P/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3


cas: 3028-94-2
dtxsid: DTXSID30952649
formula: C31H29N2S2
inchikey: GTUGFHRXJPVYKM-UHFFFAOYSA-M
norman_susdat_id: NS00047790
pubchem_cid: NA
smiles: [Br-].S1C=2C=CC=3C=CC=CC3C2N(C1=CC(=CC=4SC5=CC=C6C=CC=CC6=C5[N+]4CC)CC)CC
name:
1-ethyl-2-[2-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-buten-1-yl]naphtho[1,2-d]thiazolium bromide

inchi:
InChI=1/C31H29N2S2.BrH/c1-4-21(19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28)20-29-33(6-3)31-25-14-10-8-12-23(25)16-18-27(31)35-29;/h7-20H,4-6H2,1-3H3;1H/q+1;/p-1


name: Vernadigin
cas: 30285-47-3
chebiid: CHEBI:9958
chemspiderid: 390451
dtxsid: DTXSID80331647
formula: C30H44O10
inchikey: NAQIOLFTZRJOKV-OBDZMSMTSA-N
norman_susdat_id: NS00094817
pubchem_cid: 441875
inchi:
InChI=1S/C30H44O10/c1-16-26(34)22(37-3)11-24(39-16)40-18-4-8-28(15-31)19-5-7-27(2)25(17-10-23(33)38-14-17)21(32)13-30(27,36)20(19)6-9-29(28,35)12-18/h10,15-16,18-22,24-26,32,34-36H,4-9,11-14H2,1-3H3/t16-,18+,19+,20-,21+,22-,24+,25+,26+,27-,28+,29+,30+/m1/s1

smiles:
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H]([C@@H](O)C[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)O[C@H](C)[C@@H]1O


name: oxitropium
cas: 30286-75-0
chemspiderid: 4466
formula: C19H26N1O4
inchikey: NVOYVOBDTVTBDX-UHFFFAOYSA-N
norman_susdat_id: NS00009394
pubchem_cid: 4627
smiles: CC[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1


name: N-{1-[4-(2-Methoxyphenyl)piperazin-1-yl]propan-2-yl}-N-(pyridin-2-yl)cyclohexanecarboxamide
cas: 302900-97-6
dtxsid: DTXSID70346109
formula: C26H36N4O2
inchikey: MDUDKPOIYPKKNF-UHFFFAOYSA-N
norman_susdat_id: NS00096902
smiles: CC(CN1CCN(CC1)C2=CC=CC=C2OC)N(C3=CC=CC=N3)C(=O)C4CCCCC4
inchi:
InChI=1S/C26H36N4O2/c1-21(20-28-16-18-29(19-17-28)23-12-6-7-13-24(23)32-2)30(25-14-8-9-15-27-25)26(31)22-10-4-3-5-11-22/h6-9,12-15,21-22H,3-5,10-11,16-20H2,1-2H3


name: Perfluorooctanesulfonamido amine oxide
cas: 30295-51-3
chemspiderid: NA
dtxsid: DTXSID30700460
formula: C13H14F17N3O4S1
inchikey: RBRTWWNNTDCXSP-UHFFFAOYSA-N
norman_susdat_id: NS00011338
pubchem_cid: NA
smiles: CN([O-])C(CCN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N(C)[O-]
inchi:
InChI=1S/C13H12F17N3O4S/c1-32(34)5(33(2)35)3-4-31-38(36,37)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31H,3-4H2,1-2H3/q-2


name: (Ethyl{3-[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)amino]propyl}amino)oxidanide
cas: 30295-56-8
chemspiderid: 57559480
formula: C11H13F13N2O3S1
inchikey: UYBICEDYTMPUQY-UHFFFAOYSA-N
norman_susdat_id: NS00018905
pubchem_cid: 53432075
smiles: CCN([O-])CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H13F13N2O3S/c1-2-26(27)5-3-4-25-30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25,27H,2-5H2,1H3


name: Dasatinib
cas: 302962-49-8
chebiid: CHEBI:49375
chemspiderid: 2323020
dtxsid: DTXSID4040979
formula: C22H26Cl1N7O2S1
inchikey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
norman_susdat_id: NS00001968
pubchem_cid: 3062316
smiles: Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
inchi:
InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)


name: N-(2-Chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
cas: 302964-08-5
chemspiderid: 9444421
dtxsid: DTXSID20460723
formula: C16H13Cl2N5O1S1
inchikey: LMXUWARKUIELGT-UHFFFAOYSA-N
norman_susdat_id: NS00008082
pubchem_cid: 11269410
smiles: Cc1nc(Cl)cc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)n1
inchi:
InChI=1S/C16H13Cl2N5OS/c1-8-4-3-5-10(17)14(8)23-15(24)11-7-19-16(25-11)22-13-6-12(18)20-9(2)21-13/h3-7H,1-2H3,(H,23,24)(H,19,20,21,22)


name: Clinofibrate
cas: 30299-08-2
dtxsid: DTXSID6046638
formula: C28H36O6
inchikey: BMOVQUBVGICXQN-MKPDMIMOSA-N
norman_susdat_id: NS00069496
smiles: CC[C@](C)(Oc1ccc(C2(c3ccc(O[C@](C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O
inchi:
InChI=1S/C28H36O6/c1-5-26(3,24(29)30)33-22-14-10-20(11-15-22)28(18-8-7-9-19-28)21-12-16-23(17-13-21)34-27(4,6-2)25(31)32/h10-17H,5-9,18-19H2,1-4H3,(H,29,30)(H,31,32)/t26-,27+


name: Hydroxydione
cas: 303-01-5
chebiid: CHEBI:86384
formula: C21H32O3
inchikey: USPYDUPOCUYHQL-VEVMSBRDSA-N
norman_susdat_id: NS00069936
pubchem_cid: 257630
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
inchi:
InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1


name: isopromethazine
cas: 303-14-0
chebiid: CHEBI:135176
chemspiderid: 99332
formula: C17H20N2S1
inchikey: CGNHCKZJGQDWBG-UHFFFAOYSA-N
norman_susdat_id: NS00003794
pubchem_cid: 110669
smiles: CC(CN(C)C)N1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C17H20N2S/c1-13(12-18(2)3)19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3


name: Cyclizine hydrochloride
cas: 303-25-3
chebiid: CHEBI:51045
formula: C18H22N2.ClH
inchikey: UKPBEPCQTDRZSE-UHFFFAOYSA-N
norman_susdat_id: NS00079307
smiles: Cl.CN1CCN(CC1)C(c2ccccc2)c3ccccc3
inchi:
InChI=1/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H


name: Norchlorcyclizine
cas: 303-26-4
chemspiderid: 8976
dtxsid: DTXSID00891490
formula: C17H19Cl1N2
inchikey: UZKBSZSTDQSMDR-UHFFFAOYSA-N
norman_susdat_id: NS00000628
pubchem_cid: 9340
smiles: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
inchi:
InChI=1S/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2


cas: 303-33-3
chebiid: CHEBI:5643
chemspiderid: 792587
dtxsid: DTXSID3075381
formula: C16H27NO5
inchikey: LMFKRLGHEKVMNT-UJDVCPFMSA-N
norman_susdat_id: NS00098506
pubchem_cid: 906426
smiles: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)OC
name:
Butanoic acid, 2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methyl-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S)- (Heliotrine)

inchi:
InChI=1S/C16H27NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,10-11,13-14,18,20H,6-9H2,1-4H3/t11-,13+,14-,16+/m1/s1


name: Lasiocarpine
cas: 303-34-4
chemspiderid: 4445050
formula: C21H33NO7
inchikey: QHOZSLCIKHUPSU-LPLKQDONSA-N
norman_susdat_id: NS00066989
pubchem_cid: 5281735
smiles: C/C=C(/C)C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O
inchi:
InChI=1S/C21H33NO7/c1-7-13(2)18(23)29-16-9-11-22-10-8-15(17(16)22)12-28-19(24)21(26,14(3)27-6)20(4,5)25/h7-8,14,16-17,25-26H,9-12H2,1-6H3/b13-7-/t14-,16-,17+,21-/m0/s1


name: 6a-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-hexanoate
cas: 303-40-2
dtxsid: DTXSID30184387
formula: C28H39FO5
inchikey: WHZRCUIISKRTJL-YTZKRAOUSA-N
norman_susdat_id: NS00041572
pubchem_cid: 20054915
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)COC(=O)CCCCC)C4(C)CC(O)C32)C
inchi:
InChI=1/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3


name: Methenolone enanthate
cas: 303-42-4
chebiid: CHEBI:31826
chemspiderid: 217360
dtxsid: DTXSID7046754
formula: C27H42O3
inchikey: TXUICONDJPYNPY-FRXWOFFRSA-N
norman_susdat_id: NS00018401
pubchem_cid: 248271
smiles: CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(C(=CC(=O)C4)C)C)C
inchi:
InChI=1S/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1


name: CHOLESTERYL OLEATE
cas: 303-43-5
chemspiderid: 4528064
formula: C45H78O2
inchikey: RJECHNNFRHZQKU-PFONDFGASA-N
norman_susdat_id: NS00013460
pubchem_cid: 5379501
inchi:
InChI=1S/C45H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h14-15,26,35-36,38-42H,7-13,16-25,27-34H2,1-6H3/b15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

smiles:
CCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C


name: Ochratoxin A
cas: 303-47-9
chebiid: CHEBI:7719
chemspiderid: 390954
dtxsid: DTXSID7021073
formula: C20H18Cl1N1O6
inchikey: RWQKHEORZBHNRI-BMIGLBTASA-N
norman_susdat_id: NS00003381
pubchem_cid: 442530
smiles: C[C@@H]1Cc2c(Cl)cc(C(O)=N[C@@H](Cc3ccccc3)C(O)=O)c(O)c2C(=O)O1
inchi:
InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1


name: Norclomipramine
cas: 303-48-0
chebiid: CHEBI:124969
chemspiderid: 540947
formula: C18H21Cl1N2
inchikey: VPIXQGUBUKFLRF-UHFFFAOYSA-N
norman_susdat_id: NS00002989
pubchem_cid: 622606
smiles: CNCCCN1c2ccccc2CCc2ccc(Cl)cc12
inchi:
InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3


name: Clomipramine
cas: 303-49-1
chebiid: CHEBI:47780
chemspiderid: 2699
dtxsid: DTXSID6022844
formula: C19H23Cl1N2
inchikey: GDLIGKIOYRNHDA-UHFFFAOYSA-N
norman_susdat_id: NS00000038
pubchem_cid: 2801
smiles: CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
inchi:
InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3


name: Cyclobenzaprine
cas: 303-53-7
chebiid: CHEBI:3996
chemspiderid: 2792
dtxsid: DTXSID0046933
formula: C20H21N1
inchikey: JURKNVYFZMSNLP-UHFFFAOYSA-N
norman_susdat_id: NS00003374
pubchem_cid: 2895
smiles: CN(C)CCC=C1c2ccccc2C=Cc2ccccc12
inchi:
InChI=1S/C20H21N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3


name: Prothipendyl
cas: 303-69-5
chebiid: CHEBI:135182
chemspiderid: 14002
dtxsid: DTXSID50184389
formula: C16H19N3S1
inchikey: JTTAUPUMOLRVRA-UHFFFAOYSA-N
norman_susdat_id: NS00006152
pubchem_cid: 14670
smiles: CN(C)CCCN1c2ccccc2Sc2cccnc12
inchi:
InChI=1S/C16H19N3S/c1-18(2)11-6-12-19-13-7-3-4-8-14(13)20-15-9-5-10-17-16(15)19/h3-5,7-10H,6,11-12H2,1-2H3


