# cl_id

name: Thunbergol
cas: 25269-17-4
formula: C20H34O
inchikey: YAPXSYXFLHDPCK-MLVUXGSTSA-N
norman_susdat_id: NS00114118
pubchem_cid: 12444346
smiles: C/C/1=C/CC[C@@](/C=C[C@@H](CC/C(=CCC1)/C)C(C)C)(C)O
inchi:
InChI=1S/C20H34O/c1-16(2)19-12-11-18(4)9-6-8-17(3)10-7-14-20(5,21)15-13-19/h9-10,13,15-16,19,21H,6-8,11-12,14H2,1-5H3/b15-13-,17-10-,18-9-/t19-,20-/m1/s1


cas: 25269-20-9
dtxsid: DTXSID40948114
formula: C20H28O5
inchikey: KKXFYHZSOIALRM-UHFFFAOYSA-N
norman_susdat_id: NS00050343
pubchem_cid: 91370
smiles: O=C(C=1C(=O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)C(C)C
name:
3,4-dihydroxy-5-(3-methylbut-2-enyl)-4-(4-methyl-1-oxopent-3-enyl)-2-(2-methyl-1-oxopropyl)cyclopent-2-en-1-one

inchi:
InChI=1/C20H28O5/c1-11(2)7-9-14-18(23)16(17(22)13(5)6)19(24)20(14,25)15(21)10-8-12(3)4/h7-8,13-14,24-25H,9-10H2,1-6H3


name: Benzamide, 2,2'-dithiobis-
cas: 2527-57-3
chemspiderid: 65442
dtxsid: DTXSID8062494
formula: C14H12N2O2S2
inchikey: OEEHSSKRJOGQMP-UHFFFAOYSA-N
norman_susdat_id: NS00020495
pubchem_cid: 72552
smiles: NC(=O)c1ccccc1SSc1c(cccc1)C(=O)N
inchi:
InChI=1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)


name: Benzamide, 2,2'-dithiobis[N-methyl-
cas: 2527-58-4
chemspiderid: 68182
dtxsid: DTXSID3062495
formula: C16H16N2O2S2
inchikey: JEVCLNJEBFWVPD-UHFFFAOYSA-N
norman_susdat_id: NS00007370
pubchem_cid: 75662
smiles: CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC
inchi:
InChI=1S/C16H16N2O2S2/c1-17-15(19)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(20)18-2/h3-10H,1-2H3,(H,17,19)(H,18,20)


name: 2,2'-dithiobis[N-ethylbenzamide]
cas: 2527-59-5
dtxsid: DTXSID60948116
formula: C18H20N2O2S2
inchikey: IQNFPBPVAUBZGP-UHFFFAOYSA-N
norman_susdat_id: NS00045271
pubchem_cid: 465355
smiles: O=C(NCC)C=1C=CC=CC1SSC=2C=CC=CC2C(=O)NCC
inchi:
InChI=1/C18H20N2O2S2/c1-3-19-17(21)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(22)20-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)


name: Saponarioside I
cas: 252736-72-4
chemspiderid: 21670101
formula: C59H94O30
inchikey: SXWOFRLEPIYRBS-VOYPCYNFSA-N
norman_susdat_id: NS00093723
pubchem_cid: 10278749
smiles:
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)C)C)(C)C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O


name: Saponarioside J
cas: 252736-88-2
chemspiderid: 21670102
formula: C53H82O24
inchikey: FFFZMPXSVRTZOW-VMGAOXQOSA-N
norman_susdat_id: NS00093724
pubchem_cid: 10278750
smiles:
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5(CC[C@]43C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)(C)C)C)(C)C(=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O


name: Saponarioside K
cas: 252736-97-3
chemspiderid: 21670103
formula: C48H76O21
inchikey: WQTDUOHTGZBHNH-IUAUMTTISA-N
norman_susdat_id: NS00093725
pubchem_cid: 10278751
smiles:
C[C@@]12CC[C@H]([C@]([C@H]1CC=C3[C@]2(C[C@H]([C@@]4([C@H]3CC(CC4)(C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)(C)CCCO)C(=C)C(=O)O


name: Saponarioside L
cas: 252737-13-6
chemspiderid: 21670104
formula: C53H84O24
inchikey: AQOMLMMSAVDODV-FOKAVQSBSA-N
norman_susdat_id: NS00093726
pubchem_cid: 10278752
smiles:
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)(C)C(=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O


name: Saponarioside M
cas: 252737-18-1
chemspiderid: 21670105
formula: C53H84O24
inchikey: DSOVPWHTAYTWNB-QCXFXHAHSA-N
norman_susdat_id: NS00093727
pubchem_cid: 10278753
smiles:
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)C)C)(C)C(=O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O


name: Bis[4-(diethylamino)phenyl][4-(diethylammonio)phenyl]methylium
cas: 25275-06-3
formula: C31H42N3
inchikey: VYYRJGKHDDYUGK-UHFFFAOYSA-O
norman_susdat_id: NS00083735
smiles: CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)[NH+](CC)CC
inchi:
InChI=1/C31H43N3/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,31H,7-12H2,1-6H3/q+1/p+1


name: 9,10-Anthracenedione, 1-amino-2-bromo-4,8-dihydroxy-5-[(phenylmethyl)amino]-
cas: 25282-76-2
chemspiderid: 82511
dtxsid: DTXSID8067074
formula: C21H15Br1N2O4
inchikey: XXFUGAVMGSHTIM-UHFFFAOYSA-N
norman_susdat_id: NS00027851
pubchem_cid: 91377
smiles: Nc1c(Br)cc(O)c2c1C(=O)c1c(C2=O)c(NCc2ccccc2)ccc1O
inchi:
InChI=1S/C21H15BrN2O4/c22-11-8-14(26)17-18(19(11)23)21(28)16-13(25)7-6-12(15(16)20(17)27)24-9-10-4-2-1-3-5-10/h1-8,24-26H,9,23H2


cas: 252846-11-0
dtxsid: DTXSID80882927
norman_susdat_id: NS00111681
name:
Propane, 1,1,2,2,3,3-hexafluoro-1-[(trifluoroethenyl)oxy]-3-(trifluoromethoxy)-, polymer with 1,1-difluoroethene and tetrafluoroethene


name: Etofamide
cas: 25287-60-9
chebiid: CHEBI:135692
chemspiderid: 59142
dtxsid: DTXSID40179926
formula: C19H20Cl2N2O5
inchikey: QTRALMGDQMIVFF-UHFFFAOYSA-N
norman_susdat_id: NS00027854
pubchem_cid: 65718
smiles: CCOCCN(Cc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1)C(=O)C(Cl)Cl
inchi:
InChI=1S/C19H20Cl2N2O5/c1-2-27-12-11-22(19(24)18(20)21)13-14-3-7-16(8-4-14)28-17-9-5-15(6-10-17)23(25)26/h3-10,18H,2,11-13H2,1H3


name: Flurogestone acetate
cas: 2529-45-5
chebiid: CHEBI:79932
chemspiderid: 3055327
dtxsid: DTXSID6046210
formula: C23H31F1O5
inchikey: JKQQZJHNUVDHKP-FQJIPJFPSA-N
norman_susdat_id: NS00021078
pubchem_cid: 10476437
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)C
inchi:
InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1


name: 1-(Perfluoroheptyl)-2-iodopropane
cas: 25291-12-7
chemspiderid: 2055553
dtxsid: DTXSID70880235
formula: C10H6F15I1
inchikey: NUNKCHDMLFIONG-UHFFFAOYSA-N
norman_susdat_id: NS00018873
pubchem_cid: 2775183
smiles: CC(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=1S/C10H6F15I/c1-3(26)2-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,2H2,1H3


name: Trifloxystrobin acid
cas: 252913-85-2
chemspiderid: NA
dtxsid: DTXSID50892513
formula: C19H17F3N2O4
inchikey: ISZQNKFXNXQTTF-NACSPRHISA-N
norman_susdat_id: NS00005228
pubchem_cid: 22899348
smiles: CON=C(C(O)=O)c1ccccc1CON=C(/C)c1cccc(c1)C(F)(F)F
inchi:
InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12+,24-17+


cas: 25295-51-6
dtxsid: DTXSID30889688
formula: C24H28N12O8S2
inchikey: QHBWLNCWLAEYIE-SEPHDYHBSA-L
norman_susdat_id: NS00049603
pubchem_cid: 6440975
name:
Disodium 4,4'-bis[[4-amino-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C24H28N12O8S2.2Na/c25-19-31-21(27-7-9-37)35-23(33-19)29-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)30-24-34-20(26)32-22(36-24)28-8-10-38;;/h1-6,11-12,37-38H,7-10H2,(H,39,40,41)(H,42,43,44)(H4,25,27,29,31,33,35)(H4,26,28,30,32,34,36);;/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(=NC(=N3)NCCO)N)NC4=NC(=NC(=N4)NCCO)N


cas: 25296-54-2
chemspiderid: 66065
formula: C30H28N2O12
inchikey: QHKMTHBQSIKVAC-UHFFFAOYSA-N
norman_susdat_id: NS00027855
pubchem_cid: 73336
smiles: c1ccc2c(c1)C(=O)OC2(c3ccc(c(c3)CN(CC(=O)O)CC(=O)O)O)c4ccc(c(c4)CN(CC(=O)O)CC(=O)O)O
name:
N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine

inchi:
InChI=1S/C30H28N2O12/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)


name: MK-0777
cas: 252977-51-8
dtxsid: DTXSID10179938
formula: C20H22FN7O
inchikey: QKIWQBLNTSQOLY-UHFFFAOYSA-N
norman_susdat_id: NS00068361
pubchem_cid: 9908684
smiles: CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C
inchi:
InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3


name: (25R)-5a-spirostan-3ß-yl acetate
cas: 2530-07-6
dtxsid: DTXSID60948136
formula: C29H46O4
inchikey: LVRAKYNQYKVPIK-OMRXZHHXSA-N
norman_susdat_id: NS00045963
pubchem_cid: 102278
smiles: O=C(OC1CCC2(C)C(CCC3C2CCC4(C)C3CC5OC6(OCC(C)CC6)C(C)C54)C1)C
inchi:
InChI=1/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3


name: Tetradecylsuccinic acid
cas: 2530-30-5
dtxsid: DTXSID20948137
formula: C44H86O4
inchikey: KLGRPGCTEKKHNM-UHFFFAOYSA-N
norman_susdat_id: NS00045332
pubchem_cid: 21117770
smiles: O=C(O)C(CCCCCCCCCC)(CCCCCCCCCC)C(C(=O)O)(CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C44H86O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3,(H,45,46)(H,47,48)


name: Hexadecylsuccinic acid
cas: 2530-31-6
dtxsid: DTXSID80948138
formula: C20H38O4
inchikey: GCVQVCAAUXFNGJ-UHFFFAOYSA-N
norman_susdat_id: NS00046558
pubchem_cid: 102837
smiles: O=C(O)CC(C(=O)O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h18H,2-17H2,1H3,(H,21,22)(H,23,24)


name: Xanthinol
cas: 2530-97-4
chebiid: CHEBI:94314
chemspiderid: 9526
dtxsid: DTXSID1048255
formula: C13H21N5O4
inchikey: DSFGXPJYDCSWTA-UHFFFAOYSA-N
norman_susdat_id: NS00008286
pubchem_cid: 9913
smiles: CN(CCO)CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12
inchi:
InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3


cas: 25305-85-5
dtxsid: DTXSID10948146
formula: C45H46N3O7S2
inchikey: PLVPREXUKUFADG-UHFFFAOYSA-N
norman_susdat_id: NS00049019
pubchem_cid: 61366
name:
Hydrogen [4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C45H45N3O7S2.H2/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(C=C2)C(C3=CC=C(C=C3)NC4=CC=C(OCC)C=C4)=C5C=CC(C=C5)=[N+](CC6=CC=CC(=C6)S(=O)(=O)[O-])CC)CC


cas: 25305-87-7
dtxsid: DTXSID70948147
formula: C43H50N3O6S2
inchikey: WYDXPOIAYSTTES-UHFFFAOYSA-N
norman_susdat_id: NS00049626
pubchem_cid: 168352
name:
Hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(3-sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C43H49N3O6S2.H2/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(C(=C2)C)C(C3=CC=C(C=C3)N(CC)CC)=C4C=CC(C=C4C)=[N+](CC5=CC=CC(=C5)S(=O)(=O)[O-])CC)CC


name: 6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonic acid
cas: 25305-93-5
chemspiderid: 4675248
formula: C16H13N3O4S1
inchikey: SJDWIIRQOOJASM-UHFFFAOYSA-N
norman_susdat_id: NS00040846
pubchem_cid: 56999406
smiles: Nc1ccc(NN=C2C=Cc3c(cccc3S(O)(=O)=O)C2=O)cc1
inchi:
InChI=1S/C16H13N3O4S/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23/h1-9,18H,17H2,(H,21,22,23)


cas: 25305-96-8
dtxsid: DTXSID50179952
formula: C33H38N5O10S2
inchikey: BIXPYPOIHGNIPR-UHFFFAOYSA-N
norman_susdat_id: NS00049020
pubchem_cid: 3015213
name:
Diethyl[4-[[4-(diethylamino)phenyl][5-[(2,4-dinitrophenyl)amino]-2,4-disulphophenyl]methylene]-2,5-cyclohexadien-1-ylidene]ammonium hydroxide

inchi:
InChI=1/C33H35N5O10S2.H2O/c1-5-35(6-2)24-13-9-22(10-14-24)33(23-11-15-25(16-12-23)36(7-3)8-4)27-20-29(32(50(46,47)48)21-31(27)49(43,44)45)34-28-18-17-26(37(39)40)19-30(28)38(41)42;/h9-21,34H,5-8H2,1-4H3,(H-,43,44,45,46,47,48);1H2

smiles:
[OH-].O=[N+]([O-])C1=CC=C(NC=2C=C(C(=CC2S(=O)(=O)O)S(=O)(=O)O)C(C3=CC=C(C=C3)N(CC)CC)=C4C=CC(C=C4)=[N+](CC)CC)C(=C1)[N+](=O)[O-]


cas: 25305-97-9
formula: C37H36ClN2O6S2
inchikey: KZMRYBLIGYQPPP-UHFFFAOYSA-N
norman_susdat_id: NS00049613
pubchem_cid: 407335
name:
[4-[(2-chlorophenyl)[4-[ethyl[(3-sulphonatophenyl)methyl]ammonio]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)

smiles:
O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C=C2)=C(C3=CC=C(C=C3)[NH+](CC4=CC=CC(=C4)S(=O)(=O)[O-])CC)C=5C=CC=CC5Cl)CC


name: Ethanol, 2,2'-(9-octadecen-1-ylimino)bis-
cas: 25307-17-9
chemspiderid: 5020445
dtxsid: DTXSID40860105
formula: C22H45N1O2
inchikey: BITAPBDLHJQAID-UHFFFAOYSA-N
norman_susdat_id: NS00005669
pubchem_cid: 61580
smiles: CCCCCCCCC=CCCCCCCCCN(CCO)CCO
inchi:
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3


name: Piperylone
cas: 2531-04-6
chemspiderid: 16389
dtxsid: DTXSID90179956
formula: C17H23N3O1
inchikey: LBFGQUCAQWAFNN-UHFFFAOYSA-N
norman_susdat_id: NS00003430
pubchem_cid: 17319
smiles: CCc1c([nH]n(C2CCN(C)CC2)c1=O)-c1ccccc1
inchi:
InChI=1S/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,18H,3,9-12H2,1-2H3


name: Calcium N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinate (1:1)
cas: 2531-75-1
formula: C14H23N3O10.Ca
inchikey: YJNRRITYGACCNV-UHFFFAOYSA-M
norman_susdat_id: NS00081428
smiles: [CaH2].OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)[O-])CC(=O)O
inchi:
InChI=1/C14H23N3O10.Ca.2H/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;/q;+2;;/p-1/rC14H23N3O10.CaH2/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);1H2/q;+2/p-1


name: 2-Naphthalenecarboxylic acid, 4-[(4-chloro-3-sulfophenyl)azo]-3-hydroxy-
cas: 25310-97-8
chemspiderid: 4891141
dtxsid: DTXSID3067077
formula: C17H11Cl1N2O6S1
inchikey: RVFIOAXBXFMIQE-UHFFFAOYSA-N
norman_susdat_id: NS00021079
pubchem_cid: NA
smiles: OC(=O)C1=Cc2ccccc2/C(=N/Nc2cc(c(Cl)cc2)S(=O)(=O)O)/C1=O
inchi:
InChI=1S/C17H11ClN2O6S/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23/h1-8,19H,(H,22,23)(H,24,25,26)/b20-15-


cas: 25311-20-0
dtxsid: DTXSID30866914
formula: C20H22N4O12S3
inchikey: DXCCMFSEQJYYIA-UHFFFAOYSA-N
norman_susdat_id: NS00049615
pubchem_cid: 30105
smiles: O=C1N(N=C(C)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-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C20H22N4O12S3/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)


name: Isofenphos
cas: 25311-71-1
chebiid: CHEBI:6009
chemspiderid: 30459
dtxsid: DTXSID8032417
formula: C15H24N1O4P1S1
inchikey: HOQADATXFBOEGG-UHFFFAOYSA-N
norman_susdat_id: NS00000159
pubchem_cid: 32872
smiles: CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
inchi:
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)


name: Cholan-24-oic acid
cas: 25312-65-6
chebiid: CHEBI:36237
formula: C24H40O2
inchikey: RPKLZQLYODPWTM-KBMWBBLPSA-N
norman_susdat_id: NS00049022
pubchem_cid: 9548797
smiles: O=C(O)CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
inchi:
InChI=1/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)


name: Eribulin
cas: 253128-41-5
chemspiderid: 24721813
formula: C40H59N1O11
inchikey: UFNVPOGXISZXJD-UHFFFAOYSA-N
norman_susdat_id: NS00040669
pubchem_cid: 11354606
smiles: COC1C(CC(O)CN)OC2CC3OC(CC(C)C3=C)CCC3OC(CC3=C)CCC34CC5OC6C(OC7CCC(CC(=O)CC12)OC7C6O3)C5O4
inchi:
InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3


cas: 25316-40-9
chebiid: CHEBI:31522
formula: C27H29NO11.ClH
inchikey: MWWSFMDVAYGXBV-RUELKSSGSA-N
norman_susdat_id: NS00093622
name:
(8S-cis)-10-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride

inchi:
InChI=1/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H

smiles:
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO


name: Benzyltributylammonium bromide
cas: 25316-59-0
formula: C19H34N.Br
inchikey: UDYGXWPMSJPFDG-UHFFFAOYSA-M
norman_susdat_id: NS00083440
smiles: [Br-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1
inchi:
InChI=1/C19H34N.BrH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1


name: 6-amino-4-hydroxy-5-[[2-(phenylsulphonyl)phenyl]azo]naphthalene-2-sulphonic acid
cas: 25317-07-1
formula: C22H17N3O6S2
inchikey: MAUHYLITSXECQK-UHFFFAOYSA-N
norman_susdat_id: NS00083441
smiles: O=S(=O)(c1ccccc1)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S(O)(=O)=O
inchi:
InChI=1/C22H17N3O6S2/c23-17-11-10-14-12-16(33(29,30)31)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)32(27,28)15-6-2-1-3-7-15/h1-13,26H,23H2,(H,29,30,31)


cas: 25317-10-6
dtxsid: DTXSID9048356
formula: C27H27N2O7S2
inchikey: QEFJYMFUMVHTBR-UHFFFAOYSA-M
norman_susdat_id: NS00049071
pubchem_cid: 3769881
smiles: O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C)S(=O)(=O)[O-]
name:
Hydrogen [4-[[4-(dimethylamino)phenyl](2-hydroxy-3,6-disulphonato-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium

inchi:
InChI=1/C27H26N2O7S2/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36/h5-16H,1-4H3,(H2,31,32,33,34,35,36)/p-1


name: C.I. Acid Red 1 parent (E 128)
cas: 25317-20-8
chemspiderid: 14731274
dtxsid: DTXSID5045047
formula: C18H15N3O8S2
inchikey: RSNSKUBBVCGSND-QZQOTICOSA-N
norman_susdat_id: NS00008973
pubchem_cid: 387150430
smiles: CC(=O)Nc1cc(cc2c1c(c(c(c2)S(=O)(=O)O)/N=N/c3ccccc3)O)S(=O)(=O)O
inchi:
IInChI=1S/C18H15N3O8S2/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29)/b21-20-


name: 3-[[4-(benzoylethylamino)-2-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonic acid
cas: 25317-22-0
formula: C26H23N3O5S
inchikey: XZVZLEXTMDWIEK-UHFFFAOYSA-N
norman_susdat_id: NS00083457
smiles: O=C(c1ccccc1)N(CC)c4ccc(N=Nc3cc(c2ccccc2c3O)S(O)(=O)=O)c(C)c4
inchi:
InChI=1/C26H23N3O5S/c1-3-29(26(31)18-9-5-4-6-10-18)19-13-14-22(17(2)15-19)27-28-23-16-24(35(32,33)34)20-11-7-8-12-21(20)25(23)30/h4-16,30H,3H2,1-2H3,(H,32,33,34)


name: 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-sulfophenyl]azo]-6-amino-4-hydroxy-
cas: 25317-34-4
dtxsid: DTXSID8067078
formula: C18H16N4O8S2
inchikey: IJPUPVHRAZCFRI-UHFFFAOYSA-M
norman_susdat_id: NS00049687
pubchem_cid: 80698
smiles: 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-])C
inchi:
InChI=1/C18H16N4O8S2/c1-9(23)20-11-3-5-14(16(7-11)32(28,29)30)21-22-18-13(19)4-2-10-6-12(31(25,26)27)8-15(24)17(10)18/h2-8,24H,19H2,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)/p-1


name: 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]naphthalene-1,3-disulphonic acid
cas: 25317-39-9
chebiid: CHEBI:87190
formula: C22H16N4O7S2
inchikey: PIEQFSVTZMAUJA-UHFFFAOYSA-N
norman_susdat_id: NS00083458
smiles: OS(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S(O)(=O)=O
inchi:
InChI=1/C22H16N4O7S2/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15/h1-13,27H,(H,28,29,30)(H,31,32,33)


cas: 25317-45-7
formula: C37H30N4O10S3
inchikey: SIGHAVOYMKYMPO-UHFFFAOYSA-N
norman_susdat_id: NS00083459
name:
8-[[3,3'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonic acid

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

smiles:
Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(cc3C)c6ccc(N=Nc4c5c(ccc4O)cc(cc5S(O)(=O)=O)S(O)(=O)=O)c(C)c6


name: 7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 25317-48-0
formula: C20H18N4O6S
inchikey: CECGUGFIJCQUOO-UHFFFAOYSA-N
norman_susdat_id: NS00083776
smiles: CC(=O)Nc1ccc(cc1)N=Nc3c(cc2cc(ccc2c3O)NC(C)=O)S(O)(=O)=O
inchi:
InChI=1/C20H18N4O6S/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)


name: Iso Sildenafil
cas: 253178-46-0
chemspiderid: 10274427
dtxsid: DTXSID70476531
formula: C22H30N6O4S1
inchikey: AEHJOHLAUWUPQW-UHFFFAOYSA-N
norman_susdat_id: NS00015874
pubchem_cid: 12051864
smiles: CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC
inchi:
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(25-27(17)4)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dimercapto-
cas: 25319-73-7
chemspiderid: 82528
dtxsid: DTXSID3067079
formula: C20H12O3S2
inchikey: QOMSORNLFVSVPW-UHFFFAOYSA-N
norman_susdat_id: NS00027860
pubchem_cid: 91396
smiles: [S-]c1cc2c(cc1)C1(OC(=O)c3c1cccc3)c1ccc([S-])cc1O2
inchi:
InChI=1S/C20H12O3S2/c21-19-13-3-1-2-4-14(13)20(23-19)15-7-5-11(24)9-17(15)22-18-10-12(25)6-8-16(18)20/h1-10,24-25H


name: Sodium (1,3,5,7-tetramethyloctyl)benzenesulphonate
cas: 25321-28-2
dtxsid: DTXSID70948167
formula: C18H30O3S
inchikey: CIEWOMYXNBKIDA-UHFFFAOYSA-M
norman_susdat_id: NS00049677
pubchem_cid: 3015216
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1C(C)CC(C)CC(C)CC(C)C
inchi:
InChI=1/C18H30O3S.Na/c1-13(2)10-14(3)11-15(4)12-16(5)17-8-6-7-9-18(17)22(19,20)21;/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21);/q;+1/p-1


name: Octylbenzenesulphonic acid
cas: 25321-43-1
dtxsid: DTXSID00866249
formula: C14H22O3S
inchikey: QWHHBVWZZLQUIH-UHFFFAOYSA-N
norman_susdat_id: NS00049688
pubchem_cid: 171153
smiles: O=S(=O)(O)C=1C=CC=CC1CCCCCCCC
inchi:
InChI=1/C14H22O3S/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17)


name: Dodecaethlene glycol (PEG-12)
cas: 25322-68-3
chebiid: CHEBI:39524
chemspiderid: 73305
dtxsid: DTXSID40218122
formula: C24H50O13
inchikey: WRZXKWFJEFFURH-UHFFFAOYSA-N
norman_susdat_id: NS00001006
pubchem_cid: 81248
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2


cas: 25322-99-0
dtxsid: DTXSID6094142
norman_susdat_id: NS00112961
name:
2-Propenoic acid, 2-methyl-, butyl ester, polymer with butyl 2-propenoate and methyl 2-methyl-2-propenoate


name: Hexadecyldimethylammonium acetate
cas: 25324-14-5
formula: C18H39N.C2H4O2
inchikey: VGUANSONTIBISX-UHFFFAOYSA-N
norman_susdat_id: NS00083777
smiles: CCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-]
inchi:
InChI=1/C18H39N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2(3)4/h4-18H2,1-3H3;1H3,(H,3,4)


name: Tetrabromobisphenol A diallyl ether
cas: 25327-89-3
chemspiderid: 55823
dtxsid: DTXSID2029327
formula: C21H20Br4O2
inchikey: PWXTUWQHMIFLKL-UHFFFAOYSA-N
norman_susdat_id: NS00004570
pubchem_cid: 61972
smiles: CC(C)(c1cc(Br)c(OCC=C)c(Br)c1)c1cc(Br)c(OCC=C)c(Br)c1
inchi:
InChI=1S/C21H20Br4O2/c1-5-7-26-19-15(22)9-13(10-16(19)23)21(3,4)14-11-17(24)20(18(25)12-14)27-8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3


cas: 25329-62-8
chemspiderid: 2283399
dtxsid: DTXSID20179969
formula: C37H39N3O6S2
inchikey: ZSGFDSIAGRPBLU-UHFFFAOYSA-N
norman_susdat_id: NS00021080
pubchem_cid: 44145677
smiles: CN(C)c1ccc(cc1)[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)O)Cc1cccc(c1)S(=O)(=O)O
name:
(4-((4-(Bis((3-sulphophenyl)methyl)amino)phenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)dimethylammonium

inchi:
InChI=1S/C37H39N3O6S2/c1-38(2)32-17-11-29(12-18-32)37(30-13-19-33(20-14-30)39(3)4)31-15-21-34(22-16-31)40(25-27-7-5-9-35(23-27)47(41,42)43)26-28-8-6-10-36(24-28)48(44,45)46/h5-24,37H,25-26H2,1-4H3,(H,41,42,43)(H,44,45,46)


name: 6-Heptadecyl-1,3,5-triazine-2,4-diamine
cas: 2533-20-2
chemspiderid: 16399
dtxsid: DTXSID30179970
formula: C20H39N5
inchikey: YZVJFFKAKLWXOE-UHFFFAOYSA-N
norman_susdat_id: NS00027864
pubchem_cid: 17329
smiles: CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
inchi:
InChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25)


name: s-Triazine, 2,4-diamino-6-undecyl-
cas: 2533-34-8
chemspiderid: 68192
dtxsid: DTXSID90179971
formula: C14H27N5
inchikey: MLCIKWISJBFZKS-UHFFFAOYSA-N
norman_susdat_id: NS00027865
pubchem_cid: 75673
smiles: CCCCCCCCCCCc1nc(N)nc(N)n1
inchi:
InChI=1S/C14H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13(15)19-14(16)18-12/h2-11H2,1H3,(H4,15,16,17,18,19)


name: 4,5a-epoxy-14-hydroxy-3-methoxy-17-methyl-6-oxomorphinan hydrogen terephthalate
cas: 25333-72-6
formula: C18H21NO4.C8H6O4
inchikey: NRJLPDFIXKADPQ-RKXJKUSZSA-N
norman_susdat_id: NS00083461
smiles: COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O.OC(=O)c6ccc(cc6)C(=O)O
inchi:
InChI=1/C18H21NO4.C8H6O4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;9-7(10)5-1-2-6(4-3-5)8(11)12/h3-4,13,16,21H,5-9H2,1-2H3;1-4H,(H,9,10)(H,11,12)


name: Acetorphine
cas: 25333-77-1
dtxsid: DTXSID60905123
formula: C27H35NO5
inchikey: LFYBMMHFJIAKFE-PMEKXCSPSA-N
norman_susdat_id: NS00068009
smiles: [H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@@]11C[C@]([H])([C@](C)(O)CCC)[C@]2(OC)C=C1
inchi:
InChI=1S/C27H35NO5/c1-6-9-24(3,30)19-15-25-10-11-27(19,31-5)23-26(25)12-13-28(4)20(25)14-17-7-8-18(32-16(2)29)22(33-23)21(17)26/h7-8,10-11,19-20,23,30H,6,9,12-15H2,1-5H3/t19-,20-,23-,24-,25-,26+,27-/m1/s1


name: 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one maleate
cas: 25333-83-9
formula: C20H24N2OS.C4H4O4
inchikey: BBYDPETWONYPJS-BTJKTKAUSA-N
norman_susdat_id: NS00084137
smiles: CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C20H24N2OS.C4H4O4/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;5-3(6)1-2-4(7)8/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: 3,6,9,12,15,18,21,24-Octaoxahexacosanoic acid, 26-(octylphenoxy)-
cas: 25338-58-3
chemspiderid: 147268
dtxsid: DTXSID7067083
formula: C32H56O11
inchikey: LQGIRXNHIMWFSU-UHFFFAOYSA-N
norman_susdat_id: NS00021081
pubchem_cid: 168358
smiles: CCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
inchi:
InChI=1S/C32H56O11/c1-2-3-4-5-6-7-10-30-11-8-9-12-31(30)43-28-27-41-24-23-39-20-19-37-16-15-35-13-14-36-17-18-38-21-22-40-25-26-42-29-32(33)34/h8-9,11-12H,2-7,10,13-29H2,1H3,(H,33,34)


name: ISOCETYL STEARATE
cas: 25339-09-7
chemspiderid: 82542
formula: C34H68O2
inchikey: LGEZTMRIZWCDLW-UHFFFAOYSA-N
norman_susdat_id: NS00013772
pubchem_cid: 91410
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C34H68O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34(35)36-32-29-26-23-20-17-14-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3


name: Mannide monooleate
cas: 25339-93-9
chemspiderid: 17215819
dtxsid: DTXSID0025525
formula: C24H42O5
inchikey: LUXUAZKGQZPOBZ-DJWGODSSSA-N
norman_susdat_id: NS00027866
pubchem_cid: 22833495
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OC1COC2C(O)COC12
inchi:
InChI=1S/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/b10-9-/t20-,21-,23+,24-/m0/s1


name: Sucrose laurate
cas: 25339-99-5
formula: C24H44O12
inchikey: LWWGGBKZJAKEMX-VQXBOQCVSA-N
norman_susdat_id: NS00050478
pubchem_cid: 21159617
smiles: O=C(OC1C(O)C(OC1(OC2OC(CO)C(O)C(O)C2O)CO)CO)CCCCCCCCCCC
inchi:
InChI=1/C24H44O12/c1-2-3-4-5-6-7-8-9-10-11-17(28)34-22-19(30)16(13-26)35-24(22,14-27)36-23-21(32)20(31)18(29)15(12-25)33-23/h15-16,18-23,25-27,29-32H,2-14H2,1H3


name: Wiskostatin
cas: 253449-04-6
chebiid: CHEBI:78011
dtxsid: DTXSID80893518
formula: C17H18Br2N2O
inchikey: XUBJEDZHBUPBKL-ZDUSSCGKSA-N
norman_susdat_id: NS00068381
pubchem_cid: 448668
smiles: CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
inchi:
InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1


name: Besonprodil
cas: 253450-09-8
chemspiderid: 137662
dtxsid: DTXSID2047270
formula: C21H23F1N2O3S1
inchikey: FCBQJNCAKZSIAH-UHFFFAOYSA-N
norman_susdat_id: NS00015712
pubchem_cid: 156328
smiles: C1CN(CCC1CC2=CC=C(C=C2)F)CCS(=O)C3=CC4=C(C=C3)NC(=O)O4
inchi:
InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25)


name: 1,3-Propanediamine, N,N'-bis(3-phenyl-2-propenylidene)-
cas: 25351-57-9
chemspiderid: 20482506
dtxsid: DTXSID7067085
formula: C21H22N2
inchikey: HDFJFEQZDSFGBX-UHFFFAOYSA-N
norman_susdat_id: NS00027868
pubchem_cid: 91421
smiles: C(CN=C/C=C/c1ccccc1)CN=C/C=C/c1ccccc1
inchi:
InChI=1S/C21H22N2/c1-3-10-20(11-4-1)14-7-16-22-18-9-19-23-17-8-15-21-12-5-2-6-13-21/h1-8,10-17H,9,18-19H2/b14-7+,15-8+,22-16+,23-17+


name: 2,2-Bis(hydroxymethyl)propane-1,3-diyl dilaurate
cas: 25354-60-3
chemspiderid: 82552
dtxsid: DTXSID70179999
formula: C29H56O6
inchikey: DAIYEXZQVXSNAT-UHFFFAOYSA-N
norman_susdat_id: NS00027870
pubchem_cid: 91422
smiles: CCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C29H56O6/c1-3-5-7-9-11-13-15-17-19-21-27(32)34-25-29(23-30,24-31)26-35-28(33)22-20-18-16-14-12-10-8-6-4-2/h30-31H,3-26H2,1-2H3


name: 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
cas: 25354-61-4
chemspiderid: 82553
dtxsid: DTXSID70180000
formula: C37H72O6
inchikey: QSLBMRULKKYEHX-UHFFFAOYSA-N
norman_susdat_id: NS00021941
pubchem_cid: 91423
smiles: CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C37H72O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)42-33-37(31-38,32-39)34-43-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-34H2,1-2H3


name: Sodium benzylnaphthalene-1-sulphonate
cas: 25358-54-7
dtxsid: DTXSID10180004
formula: C17H14O3S
inchikey: CMEJNMBQFJCFIM-UHFFFAOYSA-M
norman_susdat_id: NS00050480
pubchem_cid: 3015219
smiles: [Na+].O=S(=O)([O-])C=1C=2C=CC=CC2C=CC1CC=3C=CC=CC3
inchi:
InChI=1/C17H14O3S.Na/c18-21(19,20)17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17;/h1-11H,12H2,(H,18,19,20);/q;+1/p-1


name: Dinonylnaphthalene
cas: 25358-55-8
chemspiderid: 2283402
dtxsid: DTXSID70180005
formula: C28H44
inchikey: RAADJDWNEAXLBL-UHFFFAOYSA-N
norman_susdat_id: NS00027872
pubchem_cid: 3015220
smiles: CCCCCCCCCc1c(CCCCCCCCC)c2c(cccc2)cc1
inchi:
InChI=1S/C28H44/c1-3-5-7-9-11-13-15-19-25-23-24-26-20-17-18-22-28(26)27(25)21-16-14-12-10-8-6-4-2/h17-18,20,22-24H,3-16,19,21H2,1-2H3


cas: 25359-71-1
dtxsid: DTXSID10948202
formula: C28H46O13S6
inchikey: YAAUVJUJVBJRSQ-UHFFFAOYSA-N
norman_susdat_id: NS00049760
pubchem_cid: 117451
smiles: O=C(OCC(COC(=O)CCS)(COC(=O)CCS)COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)CCS
name:
2-[[3-(3-mercapto-1-oxopropoxy)-2,2-bis[(3-mercapto-1-oxopropoxy)methyl]propoxy]methyl]-2-[(3-mercapto-1-oxopropoxy)methyl]propane-1,3-diyl bis[3-mercaptopropionate]

inchi:
InChI=1/C28H46O13S6/c29-21(1-7-42)36-15-27(16-37-22(30)2-8-43,17-38-23(31)3-9-44)13-35-14-28(18-39-24(32)4-10-45,19-40-25(33)5-11-46)20-41-26(34)6-12-47/h42-47H,1-20H2


name: Niflumic acid met 21 -355
cas: 253594-54-6
chemspiderid: NA
formula: C15H12F3N3O4
inchikey: YBDJPDJWFKACCA-UHFFFAOYSA-N
norman_susdat_id: NS00000840
pubchem_cid: NA
smiles: FC(F)(c1cc(Nc2ncccc2C(NCC(O)=O)=O)cc(O)c1)F
inchi:
InChI=1S/C15H12F3N3O4/c16-15(17,18)8-4-9(6-10(22)5-8)21-13-11(2-1-3-19-13)14(25)20-7-12(23)24/h1-6,22H,7H2,(H,19,21)(H,20,25)(H,23,24)


name: Cytidylyl-(3'<U+2192>5')-cytidine
cas: 2536-99-4
formula: C18H25N6O12P
inchikey: PTLMIIUMLITBQT-UHFFFAOYSA-N
norman_susdat_id: NS00047026
pubchem_cid: 260394
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=NC4=O)N)C(O)C2O
inchi:
InChI=1/C18H25N6O12P/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(35-15)6-33-37(31,32)36-14-7(5-25)34-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H2,19,21,29)(H2,20,22,30)


name: 2,2,3,3,4,4,5,5,5-Nonafluoropentyl 2,5,7-trinitro-9-oxo-9H-fluorene-4-carboxylate
cas: 253605-71-9
dtxsid: DTXSID40896282
formula: C19H6F9N3O9
inchikey: WWFIKWYKKMDAQB-UHFFFAOYSA-N
norman_susdat_id: NS00110437
inchi:
InChI=1S/C19H6F9N3O9/c20-16(21,17(22,23)18(24,25)19(26,27)28)5-40-15(33)10-3-6(29(34)35)1-8-12(10)13-9(14(8)32)2-7(30(36)37)4-11(13)31(38)39/h1-4H,5H2

smiles:
[O-][N+](=O)c1cc2C(=O)c3cc(cc(c3-c2c(c1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O


name: 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-(undecyloxy)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
cas: 253678-67-0
formula: C23H44O11
inchikey: UYEMNFYVTFDKRG-ZNGNCRBCSA-N
norman_susdat_id: NS00072829
pubchem_cid: 447793
smiles: CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1


cas: 253682-96-1
dtxsid: DTXSID40882862
norman_susdat_id: NS00110309
name:
1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, reaction products with succinic anhydride monopolyisobutylene derivs.


cas: 253682-97-2
dtxsid: DTXSID90882857
norman_susdat_id: NS00112020
name:
Butanedioic acid, compounds, monopolyisobutylene derivs., 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro tetradecyl ester


cas: 253682-98-3
dtxsid: DTXSID40882923
norman_susdat_id: NS00110315
name:
Butanedioic acid, compounds, monopolyisobutylene derivs., 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester


cas: 253683-00-0
dtxsid: DTXSID40897693
norman_susdat_id: NS00110514
name:
Butanedioic acid, monopolyisobutylene derivs., 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester


cas: 2537-29-3
chebiid: CHEBI:134928
dtxsid: DTXSID20862980
formula: C10H14N2O4
inchikey: VNLMRPAWAMPLNZ-UHFFFAOYSA-N
norman_susdat_id: NS00046516
pubchem_cid: 17336
smiles: O=C1NC(=O)C(C(=O)N1)(CC=C)CC(O)C
name:
5-(2-Hydroxypropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione (Axeen Isomer 1 (Proxabarbal. Proxibarbital))

inchi:
InChI=1/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)


name: Acetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-
cas: 2537-62-4
chemspiderid: 68196
dtxsid: DTXSID6074598
formula: C19H19Br1N6O3
inchikey: KTXMBTRTVMMWQS-UHFFFAOYSA-N
norman_susdat_id: NS00021942
pubchem_cid: 75677
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Br)cc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C19H19BrN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)/b24-23+


name: Methyl hydrogen octadecylphosphonate
cas: 25371-55-5
chemspiderid: 81783
dtxsid: DTXSID80180016
formula: C19H41O3P1
inchikey: OFTHYJZWGCWWPT-UHFFFAOYSA-N
norman_susdat_id: NS00027876
pubchem_cid: 117456
smiles: CCCCCCCCCCCCCCCCCCP(=O)(O)OC
inchi:
InChI=1S/C19H41O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h3-19H2,1-2H3,(H,20,21)


name: Tris(dodecylphenyl) phosphite
cas: 25376-41-4
dtxsid: DTXSID40948215
formula: C54H87O3P
inchikey: YTVCHUPHPBBSMD-UHFFFAOYSA-N
norman_susdat_id: NS00049673
pubchem_cid: 20526101
smiles: O(C=1C=CC=CC1CCCCCCCCCCCC)P(OC=2C=CC=CC2CCCCCCCCCCCC)OC=3C=CC=CC3CCCCCCCCCCCC
inchi:
InChI=1/C54H87O3P/c1-4-7-10-13-16-19-22-25-28-31-40-49-43-34-37-46-52(49)55-58(56-53-47-38-35-44-50(53)41-32-29-26-23-20-17-14-11-8-5-2)57-54-48-39-36-45-51(54)42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-48H,4-33,40-42H2,1-3H3


name: UNDECYLENAMIDE DEA
cas: 25377-64-4
chemspiderid: 104969
formula: C15H29N1O3
inchikey: LACWVMIHIJKPTF-MDZDMXLPSA-N
norman_susdat_id: NS00014193
pubchem_cid: 21504945
smiles: CCCCCCCC/C=C/C(=O)N(CCO)CCO
inchi:
InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h9-10,17-18H,2-8,11-14H2,1H3/b10-9+


name: Octadecenylammonium acetate
cas: 25377-70-2
formula: C18H37N
inchikey: ZDAZKCCRAIYMNO-UHFFFAOYSA-N
norman_susdat_id: NS00050245
pubchem_cid: NA
smiles: O=C([O-])C.C(=CCCCCCCCCCCCCCCCC)[NH3+]
inchi:
InChI=1/C18H37N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-2(3)4/h17-18H,2-16,19H2,1H3;1H3,(H,3,4)


name: 3-(Dodecenyl)dihydro-2,5-furandione
cas: 25377-73-5
chemspiderid: 30492
dtxsid: DTXSID8027870
formula: C16H26O3
inchikey: WVRNUXJQQFPNMN-UHFFFAOYNA-N
norman_susdat_id: NS00019714
pubchem_cid: NA
smiles: CCCCCCCCCC/C=C/C1CC(=O)OC1=O
inchi:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3/b12-11+/t14-/m0/s1


name: Dibutylnaphthalenesulphonic acid
cas: 25377-92-8
dtxsid: DTXSID3091539
formula: C18H24O3S
inchikey: QZEDXQFZACVDJE-UHFFFAOYSA-N
norman_susdat_id: NS00050988
pubchem_cid: 172064
smiles: O=S(=O)(O)C=1C=2C=CC=CC2C=C(C1CCCC)CCCC
inchi:
InChI=1/C18H24O3S/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)


name: [2-[(cyclohexylphenylacetyl)oxy]ethyl]diethylmethylammonium bromide
cas: 25378-64-7
dtxsid: DTXSID60948217
formula: C21H34NO2
inchikey: FYRDBUULLGFMLL-UHFFFAOYSA-M
norman_susdat_id: NS00050246
pubchem_cid: 21149401
smiles: [Br-].O=C(OCC[N+](C)(CC)CC)C(C=1C=CC=CC1)C2CCCCC2
inchi:
InChI=1/C21H34NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1


name: Tetrahydro-a-(1-naphthylmethyl)furan-2-propionic acid
cas: 25379-26-4
dtxsid: DTXSID20948218
formula: C18H20O3
inchikey: VEJYFDMNWGFBCT-UHFFFAOYSA-N
norman_susdat_id: NS00049691
pubchem_cid: 117180
smiles: O=C(O)C(CC1=CC=CC=2C=CC=CC21)CC3OCCC3
inchi:
InChI=1/C18H20O3/c19-18(20)15(12-16-8-4-10-21-16)11-14-7-3-6-13-5-1-2-9-17(13)14/h1-3,5-7,9,15-16H,4,8,10-12H2,(H,19,20)


cas: 2538-79-6
chemspiderid: 10466806
formula: C20H14N2O5S1
inchikey: ZMLWOOMWRCRLCH-UHFFFAOYSA-N
norman_susdat_id: NS00006295
pubchem_cid: NA
smiles: Oc1ccc2ccccc2c1N=Nc1c(O)cc(c2ccccc12)S(O)(=O)=O
name:
Main component 6 (isomer): asym. 1:2 Cr(III)-complex of: A: 3-hydroxy-4-(2-hydroxy-naphthalene-1-ylazo)naphthalene-1-sulfonic acid, Na-salt and B: 1-[2-hydroxy-5-(4-methoxy-phenylazo)phenylazo]naphthalene-2-ol; Main component 8 (isomer): asym. 1:2 Cr-complex of: A: 3-hydroxy-4-(2-hydroxy-naphthalene-1-ylazo)-naphthalene-1-sulfonic acid, Na-salt and B: 1-[2-hydroxy-5-(4-methoxy-phenylazo)-phenylazo]-naphthalene-2-ol

inchi:
InChI=1S/C20H14N2O5S/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27/h1-11,23-24H,(H,25,26,27)


name: Disodium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(sulphate)
cas: 2538-84-3
formula: C36H22O10S2.2Na
inchikey: OFRNYPVEFOPHIL-UHFFFAOYSA-L
norman_susdat_id: NS00082039
inchi:
InChI=1/C36H22O10S2.2Na/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25;;/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79


name: Sodium 3-hydroxy-4-(2-hydroxy-1-naphthylazo)-1-naphthalenesulphonate
cas: 2538-85-4
formula: C20H14N2O5S.Na
inchikey: ZQWICJYATMSSSD-UHFFFAOYSA-M
norman_susdat_id: NS00082040
smiles: [Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc1c2ccccc2ccc1O)c4ccccc34
inchi:
InChI=1/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1


name: Ambrosanolide
cas: 25383-30-6
chebiid: CHEBI:9499
chemspiderid: 390768
dtxsid: DTXSID50331790
formula: C17H24O6
inchikey: CLPRBVIHHFLWQY-SGXNCSQFSA-N
norman_susdat_id: NS00094731
pubchem_cid: 442306
smiles: CC(=O)O[C@H]1CC[C@@]2(O)[C@@H](CO)CC[C@@H]3[C@@H](OC(=O)C3=C)[C@]12C
inchi:
InChI=1S/C17H24O6/c1-9-12-5-4-11(8-18)17(21)7-6-13(22-10(2)19)16(17,3)14(12)23-15(9)20/h11-14,18,21H,1,4-8H2,2-3H3/t11-,12+,13+,14-,16+,17-/m1/s1


name: SODIUM STEAROYL LAC- TYLATE
cas: 25383-99-7
chemspiderid: 20710
formula: C24H44O6
inchikey: KHICUSAUSRBPJT-UHFFFAOYSA-N
norman_susdat_id: NS00014090
pubchem_cid: 22038
inchi:
InChI=1S/2C24H44O6.Ca/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2

smiles:
[Ca++].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O.CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O


name: L-778123
cas: 253863-00-2
formula: C22H20ClN5O
inchikey: JNUGFGAVPBYSHF-UHFFFAOYSA-N
norman_susdat_id: NS00072632
pubchem_cid: 216454
smiles: N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1
inchi:
InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2


cas: 253873-70-0
dtxsid: DTXSID00882808
norman_susdat_id: NS00108907
name:
Hexane, 1,6-diisocyanato-, homopolymer, copolymer with .gamma.-.omega.-perfluoroalcohols C8-14, oxiranemethanol, 1,2-ethanediol and 2,4-diisocyanato-1-methylbenzene


name: Sodium 4,4'-diaminostilbene-2,2'-disulphonate
cas: 25394-13-2
formula: C14H14N2O6S2.xNa
inchikey: YAKFHPREDNNSFX-SEPHDYHBSA-L
norman_susdat_id: NS00084068
smiles: [Na+].[Na+].Nc1ccc(\C=C\c2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H14N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: D-glucitol dilaurate
cas: 25395-59-9
formula: C30H58O8
inchikey: OFZHGDJCJVCHAO-QUKNIHFLSA-N
norman_susdat_id: NS00050298
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCCCC)C(O)C(O)C(O)CO)CCCCCCCCCCC
inchi:
InChI=1/C30H58O8/c1-3-5-7-9-11-13-15-17-19-21-27(33)37-24-26(30(36)29(35)25(32)23-31)38-28(34)22-20-18-16-14-12-10-8-6-4-2/h25-26,29-32,35-36H,3-24H2,1-2H3


name: (stearoyloxy)-L-ascorbic acid
cas: 25395-66-8
dtxsid: DTXSID00894148
formula: C24H42O7
inchikey: LITUBCVUXPBCGA-UHFFFAOYSA-N
norman_susdat_id: NS00050311
pubchem_cid: 54676866
smiles: O=C1OC(C(O)=C1O)C(O)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3


name: Succinic acid, compound with L-lysine (1:1)
cas: 25399-74-0
formula: C6H14N2O2.C4H6O4
inchikey: BOFNEFKSMURYOG-JEDNCBNOSA-N
norman_susdat_id: NS00084530
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)O
inchi:
InChI=1/C6H14N2O2.C4H6O4/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);1-2H2,(H,5,6)(H,7,8)


name: Glyceryl triricinoleate
cas: 2540-54-7
chemspiderid: 4479721
dtxsid: DTXSID2051926
formula: C57H104O9
inchikey: ZEMPKEQAKRGZGQ-GXCCKLQBSA-N
norman_susdat_id: NS00014188
pubchem_cid: 5322148
smiles: CCCCCCC(O)CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CC(O)CCCCCC)OC(=O)CCCCCCC/C=C/CC(O)CCCCCC
inchi:
InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25+,35-26+,36-27+


name: (9Z,11E)-9,11-Octadecadienoic acid
cas: 2540-56-9
chebiid: CHEBI:32798
dtxsid: DTXSID1041003
formula: C18H32O2
inchikey: JBYXPOFIGCOSSB-GOJKSUSPSA-N
norman_susdat_id: NS00076985
smiles: CCCCCCC=CC=C/CCCCCCCC(O)=O
inchi:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-


name: 1,3-Isobenzofurandione, 5,5'-sulfonylbis-
cas: 2540-99-0
chemspiderid: 68201
dtxsid: DTXSID0073299
formula: C16H6O8S1
inchikey: ZHBXLZQQVCDGPA-UHFFFAOYSA-N
norman_susdat_id: NS00003882
pubchem_cid: 75682
smiles: O=C1OC(=O)c2cc(ccc12)S(=O)(=O)c1ccc2C(=O)OC(=O)c2c1
inchi:
InChI=1S/C16H6O8S/c17-13-9-3-1-7(5-11(9)15(19)23-13)25(21,22)8-2-4-10-12(6-8)16(20)24-14(10)18/h1-6H


name: Phenol, 2-hexadecyl-
cas: 25401-86-9
chemspiderid: 81808
dtxsid: DTXSID6067092
formula: C22H38O1
inchikey: HMWIHOZPGQRZLR-UHFFFAOYSA-N
norman_susdat_id: NS00027885
pubchem_cid: 117474
smiles: CCCCCCCCCCCCCCCCc1ccccc1O
inchi:
InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)23/h16-17,19-20,23H,2-15,18H2,1H3


name: Cinerin I
cas: 25402-06-6
chemspiderid: 503824
dtxsid: DTXSID4041787
formula: C20H28O3
inchikey: FMTFEIJHMMQUJI-UHFFFAOYSA-N
norman_susdat_id: NS00001574
pubchem_cid: 579619
smiles: CC=C/CC1=C(C)[C@@H](CC1=O)OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
inchi:
InChI=1S/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3


name: Triethoxy(henicosafluorodecyl)silane
cas: 254095-33-5
dtxsid: DTXSID40895619
formula: C16H15F21O3Si
inchikey: AKDASAAPMBNOJM-UHFFFAOYSA-N
norman_susdat_id: NS00110385
smiles: CCO[Si](OCC)(OCC)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/C16H15F21O3Si/c1-4-38-41(39-5-2,40-6-3)16(36,37)14(31,32)12(27,28)10(23,24)8(19,20)7(17,18)9(21,22)11(25,26)13(29,30)15(33,34)35/h4-6H2,1-3H3


name: Dibutylnaphthalenesulfonic acid sodium salt
cas: 25417-20-3
chemspiderid: 10619056
formula: C18H24O3S1
inchikey: SRAWNDFHGTVUNZ-UHFFFAOYSA-M
norman_susdat_id: NS00019601
pubchem_cid: 23662405
smiles: [Na+].CCCCc1cc2c(cc1)c(cc(CCCC)c2)S(=O)(=O)[O-]
inchi:
InChI=1S/C18H24O3S/c1-3-5-7-14-9-10-17-16(11-14)12-15(8-6-4-2)13-18(17)22(19,20)21/h9-13H,3-8H2,1-2H3,(H,19,20,21)


name: N-Octadecylaniline
cas: 25417-58-7
chemspiderid: 86806
dtxsid: DTXSID30180081
formula: C24H43N1
inchikey: UEKWTIYPDJLSKK-UHFFFAOYSA-N
norman_susdat_id: NS00027889
pubchem_cid: 96164
smiles: CCCCCCCCCCCCCCCCCCNc1ccccc1
inchi:
InChI=1S/C24H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h17-19,21-22,25H,2-16,20,23H2,1H3


name: Lanthanum(3+) sebacate
cas: 25418-93-3
formula: C10H18O4.2/3La
inchikey: ODWHIBGTQAEGDN-UHFFFAOYSA-H
norman_susdat_id: NS00084539
smiles: [La+3].[La+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C10H18O4.2La/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6


name: Cerium(3+) sebacate
cas: 25418-94-4
formula: C10H18O4.2/3Ce
inchikey: PNWSALVDDYXMET-UHFFFAOYSA-H
norman_susdat_id: NS00083806
smiles: [Ce+3].[Ce+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C10H18O4.2Ce/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6


name: Praseodymium(3+) sebacate
cas: 25418-95-5
formula: C10H18O4.2/3Pr
inchikey: VXTVYSHDUYMRNF-UHFFFAOYSA-H
norman_susdat_id: NS00083807
smiles: [Pr+3].[Pr+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C10H18O4.2Pr/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6


name: Neodymium(3+) sebacate
cas: 25418-96-6
formula: C10H18O4.2/3Nd
inchikey: VIOHXNMAUNTTHN-UHFFFAOYSA-H
norman_susdat_id: NS00083808
smiles: [Nd+3].[Nd+3].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-].[O-]C(=O)CCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C10H18O4.2Nd/c3*11-9(12)7-5-3-1-2-4-6-8-10(13)14;;/h3*1-8H2,(H,11,12)(H,13,14);;/q;;;2*+3/p-6


cas: 25422-83-7
dtxsid: DTXSID90948280
formula: C21H30O5
inchikey: QHRQNLXYMFCGPB-UHFFFAOYSA-N
norman_susdat_id: NS00051063
pubchem_cid: 117231
smiles: O=C(C=1C(=O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)C(C)CC
name:
3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one

inchi:
InChI=1/C21H30O5/c1-7-14(6)18(23)17-19(24)15(10-8-12(2)3)21(26,20(17)25)16(22)11-9-13(4)5/h8-9,14-15,25-26H,7,10-11H2,1-6H3


name: Tetraoctylammonium perchlorate
cas: 25423-85-2
dtxsid: DTXSID70180085
formula: C32H68N
inchikey: OHARBZYXGSYWKN-UHFFFAOYSA-M
norman_susdat_id: NS00050313
pubchem_cid: 3015227
smiles: O=Cl(=O)(=O)[O-].CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C32H68N.ClHO4/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;2-1(3,4)5/h5-32H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: 1,1'-(1,3-phenylene)bis[2-phenylethanedione]
cas: 25424-26-4
dtxsid: DTXSID50948281
formula: C22H14O4
inchikey: JXFFIJCCFUQFQC-UHFFFAOYSA-N
norman_susdat_id: NS00049741
pubchem_cid: 100828
smiles: O=C(C=1C=CC=CC1)C(=O)C2=CC=CC(=C2)C(=O)C(=O)C=3C=CC=CC3
inchi:
InChI=1/C22H14O4/c23-19(15-8-3-1-4-9-15)21(25)17-12-7-13-18(14-17)22(26)20(24)16-10-5-2-6-11-16/h1-14H


name: Citreoviridin
cas: 25425-12-1
chebiid: CHEBI:80713
chemspiderid: 4525192
formula: C23H30O6
inchikey: JLSVDPQAIKFBTO-OMCRQDLASA-N
norman_susdat_id: NS00018334
pubchem_cid: 6436023
smiles: CC1C(C(C(O1)(C)C=C(C)C=CC=CC=CC2=C(C(=CC(=O)O2)OC)C)O)(C)O
inchi:
InChI=1S/C23H30O6/c1-15(14-22(4)21(25)23(5,26)17(3)29-22)11-9-7-8-10-12-18-16(2)19(27-6)13-20(24)28-18/h7-14,17,21,25-26H,1-6H3/b8-7+,11-9+,12-10+,15-14+/t17-,21+,22+,23+/m1/s1


name: Sodium 2-ethylhexyl phthalate
cas: 25425-73-4
formula: C16H22O4.Na
inchikey: DPMIZJBYANAORK-UHFFFAOYSA-M
norman_susdat_id: NS00084540
smiles: [Na+].CCCCC(CC)COC(=O)c1ccccc1C(=O)[O-]
inchi:
InChI=1/C16H22O4.Na/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18;/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18);/q;+1/p-1


name: Phellopterin
cas: 2543-94-4
chebiid: CHEBI:80887
chemspiderid: 89052
dtxsid: DTXSID30180086
formula: C17H16O5
inchikey: BMLZFLQMBMYVHG-UHFFFAOYSA-N
norman_susdat_id: NS00094667
pubchem_cid: 98608
smiles: COC1=C2C=COC2=C(OCC=C(C)C)C2=C1C=CC(=O)O2
inchi:
InChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodododecane
cas: 25431-48-5
dtxsid: DTXSID20895258
formula: C12H10F15I
inchikey: IABUHMJGHDOUKS-UHFFFAOYSA-N
norman_susdat_id: NS00109664
smiles: CCCC(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/C12H10F15I/c1-2-3-5(28)4-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h5H,2-4H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodononadecane
cas: 25431-52-1
dtxsid: DTXSID70895344
formula: C19H24F15I
inchikey: MMTLEFYJOUMOHF-UHFFFAOYSA-N
norman_susdat_id: NS00111394
smiles: CCCCCCCCCCC(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/C19H24F15I/c1-2-3-4-5-6-7-8-9-10-12(35)11-13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h12H,2-11H2,1H3


cas: 25442-88-0
dtxsid: DTXSID20948319
formula: C20H29NO4S
inchikey: DMEGGTHGTDTORS-UHFFFAOYSA-N
norman_susdat_id: NS00049766
pubchem_cid: 117236
smiles: O=C1CC2CCC1(CS(=O)(=O)N(C)C(C)C(O)C=3C=CC=CC3)C2(C)C
name:
N-(2-hydroxy-1-methyl-2-phenylethyl)-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonamide

inchi:
InChI=1/C20H29NO4S/c1-14(18(23)15-8-6-5-7-9-15)21(4)26(24,25)13-20-11-10-16(12-17(20)22)19(20,2)3/h5-9,14,16,18,23H,10-13H2,1-4H3


name: p-(Pentadecafluoroheptyl)benzenesulphonyl chloride
cas: 25444-35-3
chemspiderid: 104991
dtxsid: DTXSID30180102
formula: C13H4Cl1F15O2S1
inchikey: PPKJGFABEANLHW-UHFFFAOYSA-N
norman_susdat_id: NS00018876
pubchem_cid: 117485
smiles: FC(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)S(Cl)(=O)=O
inchi:
InChI=1S/C13H4ClF15O2S/c14-32(30,31)6-3-1-5(2-4-6)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)29/h1-4H


name: Ethanol, 2-[2-[2-(tridecyloxy)ethoxy]ethoxy]-, hydrogen sulfate, sodium salt
cas: 25446-78-0
chemspiderid: 84037
dtxsid: DTXSID2036457
formula: C19H40O7S1
inchikey: KLYDBHUQNXKACI-UHFFFAOYSA-M
norman_susdat_id: NS00019462
pubchem_cid: 23668601
smiles: [Na+].CCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]
inchi:
InChI=1S/C19H40O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-14-15-24-16-17-25-18-19-26-27(20,21)22/h2-19H2,1H3,(H,20,21,22)


name: Ethanol, 2-[2-[2-(tetradecyloxy)ethoxy]ethoxy]-, hydrogen sulfate, sodium salt
cas: 25446-80-4
chemspiderid: 83281
dtxsid: DTXSID6067096
formula: C20H42O7S1
inchikey: MDSQKJDNWUMBQQ-UHFFFAOYSA-M
norman_susdat_id: NS00020286
pubchem_cid: 23682189
smiles: [Na+].CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]
inchi:
InChI=1S/C20H42O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-15-16-25-17-18-26-19-20-27-28(21,22)23/h2-20H2,1H3,(H,21,22,23)


name: Magnesium ditetradecyl disulphate
cas: 25446-91-7
formula: C14H30O4S.1/2Mg
inchikey: QQHZBVSVQQUQGK-UHFFFAOYSA-L
norman_susdat_id: NS00084106
smiles: CCCCCCCCCCCCCCOS(=O)(=O)O[Mg]OS(=O)(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/2C14H30O4S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2*2-14H2,1H3,(H,15,16,17);/q;;+2/p-2/rC28H58MgO8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-34-38(30,31)36-29-37-39(32,33)35-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: Dihydroergocornine
cas: 25447-65-8
chebiid: CHEBI:59909
chemspiderid: 147720
dtxsid: DTXSID1044013
formula: C31H41N5O5
inchikey: SEALOBQTUQIVGU-QNIJNHAOSA-N
norman_susdat_id: NS00007693
pubchem_cid: 168871
inchi:
InChI=1S/C31H41N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1

smiles:
CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C


name: Dihydroergocriptine
cas: 25447-66-9
chebiid: CHEBI:59919
chemspiderid: 102887
dtxsid: DTXSID5048689
formula: C32H43N5O5
inchikey: PBUNVLRHZGSROC-VTIMJTGVSA-N
norman_susdat_id: NS00008222
pubchem_cid: 114948
inchi:
InChI=1S/C32H43N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1

smiles:
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3C[C@H]4[C@@H](Cc5c[nH]c6cccc4c56)N(C)C3)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C


name: triisodecyl phosphite
cas: 25448-25-3
chemspiderid: 104994
formula: C30H63O3P1
inchikey: QEDNBHNWMHJNAB-UHFFFAOYSA-N
norman_susdat_id: NS00005289
pubchem_cid: 117488
smiles: CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
inchi:
InChI=1S/C30H63O3P/c1-28(2)22-16-10-7-13-19-25-31-34(32-26-20-14-8-11-17-23-29(3)4)33-27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3


name: Cholest-5-en-3ß-yl (Z,Z,Z)-octadeca-9,12,15-trien-1-oate
cas: 2545-22-4
chebiid: CHEBI:84341
formula: C45H74O2
inchikey: FYMCIBHUFSIWCE-WVXFKAQASA-N
norman_susdat_id: NS00046575
pubchem_cid: 6436907
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C45H74O2/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/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3


name: Clamoxyquin
cas: 2545-39-3
chemspiderid: 17033
dtxsid: DTXSID50180109
formula: C17H24ClN3O
inchikey: HOFHLRCDGWSLHX-UHFFFAOYSA-N
norman_susdat_id: NS00114001
pubchem_cid: 18029
smiles: CCN(CC)CCCNCC1=CC(Cl)=C2C=CC=NC2=C1O
inchi:
InChI=1S/C17H24ClN3O/c1-3-21(4-2)10-6-8-19-12-13-11-15(18)14-7-5-9-20-16(14)17(13)22/h5,7,9,11,19,22H,3-4,6,8,10,12H2,1-2H3


name: Potassium 1-carboxylatoethyl stearate
cas: 25458-34-8
formula: C21H40O4.K
inchikey: JDXZPUZDKPMSAI-UHFFFAOYSA-M
norman_susdat_id: NS00083850
smiles: [K+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H40O4.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1


name: 5,5-bis(4-methoxyphenyl)-3-[2-(1-piperidyl)ethyl]imidazolidine-2,4-dione
cas: 25466-44-8
chebiid: CHEBI:81300
dtxsid: DTXSID20180151
formula: C24H29N3O4
inchikey: HVYGXNYMNHSBGD-UHFFFAOYSA-N
norman_susdat_id: NS00050365
pubchem_cid: 58521
smiles: O=C1NC(C2=CC=C(OC)C=C2)(C3=CC=C(OC)C=C3)C(=O)N1CCN4CCCCC4
inchi:
InChI=1/C24H29N3O4/c1-30-20-10-6-18(7-11-20)24(19-8-12-21(31-2)13-9-19)22(28)27(23(29)25-24)17-16-26-14-4-3-5-15-26/h6-13H,3-5,14-17H2,1-2H3,(H,25,29)


name: 1,3,5-Tribenzylhexahydro-1,3,5-triazine
cas: 2547-66-2
chemspiderid: 68203
dtxsid: DTXSID80180157
formula: C24H27N3
inchikey: VWVZIRPJPFJGFE-UHFFFAOYSA-N
norman_susdat_id: NS00027898
pubchem_cid: 75685
smiles: C(N1CN(Cc2ccccc2)CN(Cc2ccccc2)C1)c1ccccc1
inchi:
InChI=1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2


cas: 25470-94-4
formula: C25H29N2.I
inchikey: ZGBJQZCIUVDAHE-UHFFFAOYSA-M
norman_susdat_id: NS00083851
smiles: [I-].C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C
name:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium iodide

inchi:
InChI=1/C25H29N2.HI/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1


name: Tridecan-1-yl benzenesulphonate
cas: 25474-61-7
formula: C19H32O3S
inchikey: KRTNITDCKAVIFI-UHFFFAOYSA-N
norman_susdat_id: NS00049837
pubchem_cid: 117520
smiles: O=S(=O)(OCCCCCCCCCCCCC)C=1C=CC=CC1
inchi:
InChI=1/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-23(20,21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3


cas: 25474-72-0
dtxsid: DTXSID30895547
formula: C20H10F30I2
inchikey: BSAGCCKVKXWQSB-UHFFFAOYSA-N
norman_susdat_id: NS00110042
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Triacontafluoro-9,12-diiodoicosane

inchi:
InChI=1/C20H10F30I2/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-5(51)1-2-6(52)4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h5-6H,1-4H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Emricasan
cas: 254750-02-2
dtxsid: DTXSID10180160
formula: C26H27F4N3O7
inchikey: SCVHJVCATBPIHN-SJCJKPOMSA-N
norman_susdat_id: NS00071053
pubchem_cid: 12000240
smiles: C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F
inchi:
InChI=1S/C26H27F4N3O7/c1-12(31-24(38)25(39)32-16-8-6-5-7-13(16)26(2,3)4)23(37)33-17(10-19(35)36)18(34)11-40-22-20(29)14(27)9-15(28)21(22)30/h5-9,12,17H,10-11H2,1-4H3,(H,31,38)(H,32,39)(H,33,37)(H,35,36)/t12-,17-/m0/s1


name: Monastrol
cas: 254753-54-3
chebiid: CHEBI:75384
dtxsid: DTXSID10388124
formula: C14H16N2O3S
inchikey: LOBCDGHHHHGHFA-LBPRGKRZSA-N
norman_susdat_id: NS00069886
pubchem_cid: 794323
smiles: CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(O)c1
inchi:
InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1


name: Docosa-4,8,12,15,19-pentaenoic acid
cas: 2548-85-8
formula: C22H34O2
inchikey: PIFPCDRPHCQLSJ-UHFFFAOYSA-N
norman_susdat_id: NS00047113
pubchem_cid: 102281
smiles: O=C(O)CCC=CCCC=CCCC=CCC=CCCC=CCC
inchi:
InChI=1/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-8,10-11,14-15,18-19H,2,5-6,9,12-13,16-17,20-21H2,1H3,(H,23,24)


name: Didodecylphenol
cas: 25482-47-7
dtxsid: DTXSID70865224
formula: C30H54O
inchikey: ILJOIOLSOMYKNF-UHFFFAOYSA-N
norman_susdat_id: NS00050375
pubchem_cid: 14595157
smiles: OC1=CC=CC(=C1CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C30H54O/c1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(31)29(28)26-22-20-18-16-14-12-10-8-6-4-2/h23,25,27,31H,3-22,24,26H2,1-2H3


name: Cholesta-4,6-dien-3ß-yl benzoate
cas: 25485-34-1
dtxsid: DTXSID80948370
formula: C34H48O2
inchikey: KJRLFFDMSLSIGS-LLHZKFLPSA-N
norman_susdat_id: NS00049838
pubchem_cid: 23620030
smiles: O=C(OC1C=C2C=CC3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)CC1)C=5C=CC=CC5
inchi:
InChI=1/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,22-24,27-31H,9-11,16-21H2,1-5H3


name: (2,3-epoxyphytyl)menaquinone
cas: 25486-55-9
chebiid: CHEBI:28371
dtxsid: DTXSID80904572
formula: C31H46O3
inchikey: KUTXFBIHPWIDJQ-UHFFFAOYSA-N
norman_susdat_id: NS00051114
pubchem_cid: 91577
smiles: O=C1C=2C=CC=CC2C(=O)C3(OC13C)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
inchi:
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3


name: Ataciguat
cas: 254877-67-3
dtxsid: DTXSID7048746
formula: C21H19Cl2N3O6S3
inchikey: PQHLRGARXNPFCF-UHFFFAOYSA-N
norman_susdat_id: NS00069154
pubchem_cid: 213037
smiles: O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)s1
inchi:
InChI=1S/C21H19Cl2N3O6S3/c22-14-1-6-18(25-34(28,29)20-8-7-19(23)33-20)17(13-14)21(27)24-15-2-4-16(5-3-15)35(30,31)26-9-11-32-12-10-26/h1-8,13,25H,9-12H2,(H,24,27)


name: 1-(Perfluorohexyl)sulfonylaminopyridinium
cas: 254889-10-6
dtxsid: DTXSID50897068
formula: C11H6F13N2O2S
inchikey: MIWIUSUEFHOJJL-UHFFFAOYSA-N
norman_susdat_id: NS00110833
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N[N+]1=CC=CC=C1
inchi:
InChI=1S/C11H6F13N2O2S/c12-6(13,8(16,17)10(20,21)22)7(14,15)9(18,19)11(23,24)29(27,28)25-26-4-2-1-3-5-26/h1-5,25H/q+1


cas: 254889-67-3
dtxsid: DTXSID40897673
norman_susdat_id: NS00110512
name:
1-Decanol, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-, reaction products with [(trimethylsilyl)oxy]-modified silica


cas: 254889-72-0
dtxsid: DTXSID80897652
norman_susdat_id: NS00111878
name:
Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-, reaction products with 3-chloro-1,2-propanediol, ethylene, iodoethane and tetrafluoroethylene


cas: 254889-79-7
dtxsid: DTXSID50897684
norman_susdat_id: NS00110850
name:
Methanol, reaction products with 1,6-diisocyanatohexane, ethylene, ethylene oxide, iodoethane and tetrafluoroethylene


cas: 25489-31-0
formula: C19H12Cl4N8O7S2
inchikey: QPCPIIGOLKCZPP-UHFFFAOYSA-N
norman_susdat_id: NS00084112
smiles: Clc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(cc4)S(O)(=O)=O
name:
2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C19H12Cl4N8O7S2/c1-7-15(16(32)31(30-7)12-5-10(21)14(6-9(12)20)40(36,37)38)29-28-11-4-8(2-3-13(11)39(33,34)35)24-19-26-17(22)25-18(23)27-19/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27)


cas: 25489-36-5
formula: C20H14Cl2N6O8S2.2Na
inchikey: POLOSNXTRBMLNO-UHFFFAOYSA-L
norman_susdat_id: NS00084573
smiles: [Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4
name:
Disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C20H14Cl2N6O8S2.2Na/c1-36-11-3-5-13(14(8-11)37(30,31)32)27-28-16-15(38(33,34)35)7-9-6-10(2-4-12(9)17(16)29)23-20-25-18(21)24-19(22)26-20;;/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26);;/q;2*+1/p-2


name: Trinonyl phosphite
cas: 2549-63-5
dtxsid: DTXSID20180176
formula: C27H57O3P
inchikey: QUTZUATVZPXUJR-UHFFFAOYSA-N
norman_susdat_id: NS00045802
pubchem_cid: 75688
smiles: O(P(OCCCCCCCCC)OCCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C27H57O3P/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-27H2,1-3H3


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-o-toluidinoanthracene-2-sulphonate
cas: 25492-67-5
formula: C21H16N2O5S.Na
inchikey: JUUHQEFCLDKFAL-UHFFFAOYSA-M
norman_susdat_id: NS00084113
smiles: [Na+].Cc1ccccc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-]
inchi:
InChI=1/C21H16N2O5S.Na/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonate
cas: 25492-69-7
formula: C21H16N2O5S.Na
inchikey: RHIIBCBXFYNAOU-UHFFFAOYSA-M
norman_susdat_id: NS00083863
smiles: [Na+].Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C21H16N2O5S.Na/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);/q;+1/p-1


name: Disodium 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthracenyl)amino]benzoate
cas: 25492-71-1
dtxsid: DTXSID90948386
formula: C21H14N2O7S
inchikey: CDTAVLSDERWDKM-UHFFFAOYSA-L
norman_susdat_id: NS00050366
pubchem_cid: 20846305
inchi:
InChI=1/2C21H14N2O7S.2Na/c2*22-18-15(31(28,29)30)9-14(23-11-5-3-4-10(8-11)21(26)27)16-17(18)20(25)13-7-2-1-6-12(13)19(16)24;;/h2*1-9,23H,22H2,(H,26,27)(H,28,29,30);;/q;;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C=1C=CC=C(C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)O.O=C([O-])C=1C=CC=C(C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)O


name: Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-(m-sulphonatoanilino)anthracene-2-sulphonate
cas: 25492-74-4
dtxsid: DTXSID8067103
formula: C20H14N2O8S2
inchikey: MZXGRPQTHVGYNK-UHFFFAOYSA-L
norman_susdat_id: NS00050377
pubchem_cid: 117534
smiles: [Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=CC(=C4)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O8S2.2Na/c21-18-15(32(28,29)30)9-14(22-10-4-3-5-11(8-10)31(25,26)27)16-17(18)20(24)13-7-2-1-6-12(13)19(16)23;;/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Tridecylbenzenesulphonic acid (C13-LAS)
cas: 25496-01-9
chemspiderid: 30561
dtxsid: DTXSID8027874
formula: C19H32O3S
inchikey: ANZWOARUBDXLMN-UHFFFAOYSA-N
norman_susdat_id: NS00051169
pubchem_cid: 33020
smiles: CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1/C19H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22/h14-17H,2-13H2,1H3,(H,20,21,22)


name: Oleic acid, monoester with glycerol
cas: 25496-72-4
chebiid: CHEBI:73990
dtxsid: DTXSID3027875
formula: C21H40O4
inchikey: UPWGQKDVAURUGE-KTKRTIGZSA-N
norman_susdat_id: NS00051170
pubchem_cid: 5319879
smiles: O=C(OC(CO)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3


name: SUCROSE OLEATE
cas: 25496-92-8
chemspiderid: 4942545
formula: C30H54O12
inchikey: PADFJAZLOZIRQH-KTKRTIGZSA-N
norman_susdat_id: NS00014140
pubchem_cid: NA
inchi:
InChI=1S/C30H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)39-19-22-25(35)28(38)30(20-32,41-22)42-29-27(37)26(36)24(34)21(18-31)40-29/h9-10,21-22,24-29,31-32,34-38H,2-8,11-20H2,1H3/b10-9-/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1

smiles:
CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O


name: Tasquinimod
cas: 254964-60-8
dtxsid: DTXSID90180183
formula: C20H17F3N2O4
inchikey: ONDYALNGTUAJDX-UHFFFAOYSA-N
norman_susdat_id: NS00068362
smiles: COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C
inchi:
InChI=1S/C20H17F3N2O4/c1-24(12-9-7-11(8-10-12)20(21,22)23)18(27)16-17(26)15-13(25(2)19(16)28)5-4-6-14(15)29-3/h4-10,26H,1-3H3


name: Dimethylbis(phenyloctadecyl)ammonium chloride
cas: 25497-36-3
dtxsid: DTXSID40948391
formula: C50H88N
inchikey: VKKFFBIFTHUFEQ-UHFFFAOYSA-M
norman_susdat_id: NS00052493
pubchem_cid: 3015234
smiles: [Cl-].C=1C=CC(=CC1)C(CCCCCCCCCCCCCCCCC)[N+](C)(C)C(C=2C=CC=CC2)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H88N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39-45-49(47-41-35-33-36-42-47)51(3,4)50(48-43-37-34-38-44-48)46-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h33-38,41-44,49-50H,5-32,39-40,45-46H2,1-4H3;1H/q+1;/p-1


name: N,N'-(ethylene)bis[1,2,3,,6-tetrahydro-3,6-methanophthalimide]
cas: 25502-52-7
dtxsid: DTXSID50885304
formula: C20H20N2O4
inchikey: UEULCXCLKPGFQR-UHFFFAOYSA-N
norman_susdat_id: NS00052101
pubchem_cid: 117254
smiles: O=C1N(C(=O)C2C3C=CC(C3)C12)CCN4C(=O)C5C6C=CC(C6)C5C4=O
inchi:
InChI=1/C20H20N2O4/c23-17-13-9-1-2-10(7-9)14(13)18(24)21(17)5-6-22-19(25)15-11-3-4-12(8-11)16(15)20(22)26/h1-4,9-16H,5-8H2


cas: 25505-83-3
formula: C49H23N3O7
inchikey: WPBSEZZBGRUJAL-UHFFFAOYSA-N
norman_susdat_id: NS00052494
pubchem_cid: NA
name:
N-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazol-4-yl)benzamide

inchi:
InChI=1/C49H23N3O7/c53-22-17-36-32(38(54)18-22)19-33-29(46(36)56)15-10-23-24-9-13-27-34(42(24)51-41(23)33)20-35-28(45(27)55)14-11-25-26-12-16-31-40(44(26)52-43(25)35)48(58)30-7-4-8-37(39(30)47(31)57)50-49(59)21-5-2-1-3-6-21/h1-16,19-20H,17-18H2,(H,50,59)

smiles:
O=C(NC1=CC=CC=2C(=O)C3=C4N=C5C(=CC=C6C(=O)C=7C=CC8=C(N=C9C8=CC=C%10C(=O)C%11=C(C=C9%10)C(=O)CC(=O)C%11)C7C=C56)C4=CC=C3C(=O)C12)C=%12C=CC=CC%12


cas: 25505-84-4
formula: C63H33N5O9
inchikey: XTHQWSQCTNKPRW-UHFFFAOYSA-N
norman_susdat_id: NS00052495
pubchem_cid: NA
name:
N,N',N''-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-1,4,9-triyl)tris(benzamide)

inchi:
InChI=1/C63H33N5O9/c69-32-24-43-39(48(70)25-32)26-40-36(57(43)71)19-16-33-34-17-20-37-41(54(34)67-53(33)40)27-44-49(58(37)72)47(66-63(77)31-14-8-3-9-15-31)28-42-35-18-21-38-50(56(35)68-55(42)44)60(74)52-46(65-62(76)30-12-6-2-7-13-30)23-22-45(51(52)59(38)73)64-61(75)29-10-4-1-5-11-29/h1-23,26-28H,24-25H2,(H,64,75)(H,65,76)(H,66,77)

smiles:
O=C(NC1=CC=C(NC(=O)C=2C=CC=CC2)C=3C(=O)C4=C5N=C6C(=CC(NC(=O)C=7C=CC=CC7)=C8C(=O)C=9C=CC%10=C(N=C%11C%10=CC=C%12C(=O)C%13=C(C=C%11%12)C(=O)CC(=O)C%13)C9C=C68)C5=CC=C4C(=O)C13)C=%14C=CC=CC%14


name: Trioctylphosphine sulphide
cas: 2551-53-3
dtxsid: DTXSID9062516
formula: C24H51PS
inchikey: PIOZWDBMINZWGJ-UHFFFAOYSA-N
norman_susdat_id: NS00047115
pubchem_cid: 75697
smiles: S=P(CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C24H51PS/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3


name: Propanenitrile, 3-[ethyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
cas: 25510-81-0
chemspiderid: 105037
dtxsid: DTXSID3067104
formula: C18H16N6O2S1
inchikey: PWUVCFDFTBWAFJ-UHFFFAOYSA-N
norman_susdat_id: NS00027907
pubchem_cid: 117536
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
inchi:
InChI=1S/C18H16N6O2S/c1-2-23(11-3-10-19)14-6-4-13(5-7-14)21-22-18-20-16-9-8-15(24(25)26)12-17(16)27-18/h4-9,12H,2-3,11H2,1H3/b22-21+


cas: 25522-96-7
dtxsid: DTXSID90948427
formula: C21H30O5
inchikey: QARXXMMQVDCYGZ-UHFFFAOYSA-N
norman_susdat_id: NS00052115
pubchem_cid: 93090
smiles: O=C(C=1C(=O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)CC(C)C
name:
3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one

inchi:
InChI=1/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3


name: dexchlorpheniramine
cas: 25523-97-1
chebiid: CHEBI:52010
chemspiderid: 2624
formula: C16H19Cl1N2
inchikey: SOYKEARSMXGVTM-UHFFFAOYSA-N
norman_susdat_id: NS00010179
pubchem_cid: 2725
smiles: CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
inchi:
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3


name: Oleic acid, compound with 1-aminopropan-2-ol (1:1)
cas: 25525-60-4
formula: C18H34O2.C3H9NO
inchikey: BUBXSAWBUBKGAQ-KVVVOXFISA-N
norman_susdat_id: NS00085829
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CN
inchi:
InChI=1/C18H34O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3,5H,2,4H2,1H3


name: 2-methoxyethyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 25525-75-1
formula: C21H38O3
inchikey: AGMHUAMNZCJLBA-NQLNTKRDSA-N
norman_susdat_id: NS00052532
pubchem_cid: 6438038
smiles: O=C(OCCOC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C21H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3


name: Alovudine
cas: 25526-93-6
dtxsid: DTXSID4046579
formula: C10H13FN2O4
inchikey: UXCAQJAQSWSNPQ-XLPZGREQSA-N
norman_susdat_id: NS00068737
pubchem_cid: 33039
smiles: Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1


name: 4-(1,1,3,3-tetramethylbutyl)phenyl salicylate
cas: 2553-08-4
dtxsid: DTXSID9062518
formula: C21H26O3
inchikey: IIHJDDQNGRKRIC-UHFFFAOYSA-N
norman_susdat_id: NS00045806
pubchem_cid: 75703
smiles: O=C(OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C)C=2C=CC=CC2O
inchi:
InChI=1/C21H26O3/c1-20(2,3)14-21(4,5)15-10-12-16(13-11-15)24-19(23)17-8-6-7-9-18(17)22/h6-13,22H,14H2,1-5H3


name: Bromochlorophenol blue
cas: 2553-71-1
chemspiderid: 65899
dtxsid: DTXSID00180230
formula: C19H10Br2Cl2O5S1
inchikey: MDGFKZKMIQQRPU-UHFFFAOYSA-N
norman_susdat_id: NS00027911
pubchem_cid: 73120
smiles: Oc1c(Cl)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Cl)c(O)c(Br)c1
inchi:
InChI=1S/C19H10Br2Cl2O5S/c20-12-5-9(7-14(22)17(12)24)19(10-6-13(21)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H


name: Ammonium bismuth citrate
cas: 25530-63-6
formula: C6H8O7.Bi.H3N
inchikey: ADBUZPCDOKGNTG-UHFFFAOYSA-L
norman_susdat_id: NS00085856
smiles: [NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Bi.H3N.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3;;;/q;+3;;;;/p-2/rC6H8O7.BiH3.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3/q;+3;/p-2


name: 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenylphenanthridinium diiodide
cas: 25535-16-4
dtxsid: DTXSID20894084
formula: C27H33N4
inchikey: KAWOETCRSHTTLN-UHFFFAOYSA-N
norman_susdat_id: NS00053448
pubchem_cid: 21117972
smiles: [I-].[I-].NC=1C=CC=2C=3C=CC(N)=CC3[N+](=C(C=4C=CC=CC4)C2C1)CCC[NH2+]C(CC)CC
inchi:
InChI=1/C27H32N4.2HI/c1-3-22(4-2)30-15-8-16-31-26-18-21(29)12-14-24(26)23-13-11-20(28)17-25(23)27(31)19-9-6-5-7-10-19;;/h5-7,9-14,17-18,22,29-30H,3-4,8,15-16,28H2,1-2H3;2*1H


name: (1-hydroxyethylidene)bisphosphonic acid, zinc salt
cas: 25537-17-1
formula: C2H8O7P2.xZn
inchikey: DAZWREBGAMCVCM-UHFFFAOYSA-J
norman_susdat_id: NS00085722
smiles: CC(O)(P1(=O)O[Zn]O1)P2(=O)O[Zn]O2
inchi:
InChI=1/C2H8O7P2.2Zn/c1-2(3,10(4,5)6)11(7,8)9;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;/q;2*+2/p-4/rC2H4O7P2Zn2/c1-2(3,10(4)6-12-7-10)11(5)8-13-9-11/h3H,1H3


name: Sodium (2-hexyldecyl) sulphate
cas: 25542-86-3
dtxsid: DTXSID60948439
formula: C16H34O4S
inchikey: SLPFSOBFHLCNBM-UHFFFAOYSA-M
norman_susdat_id: NS00053470
pubchem_cid: 3015238
smiles: [Na+].O=S(=O)([O-])OCC(CCCCCC)CCCCCCCC
inchi:
InChI=1/C16H34O4S.Na/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19;/h16H,3-15H2,1-2H3,(H,17,18,19);/q;+1/p-1


name: Ribostamycin
cas: 25546-65-0
chebiid: CHEBI:45257
chemspiderid: 30581
dtxsid: DTXSID6048541
formula: C17H34N4O10
inchikey: NSKGQURZWSPSBC-VVPCINPTSA-N
norman_susdat_id: NS00011533
pubchem_cid: 33042
inchi:
InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1

smiles:
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N


name: Bis(nonylphenyl) adipate
cas: 25550-79-2
chemspiderid: 2283417
dtxsid: DTXSID10180246
formula: C36H54O4
inchikey: NECICMYQQDSCJO-UHFFFAOYSA-N
norman_susdat_id: NS00027915
pubchem_cid: 3015239
smiles: CCCCCCCCCc1ccccc1OC(=O)CCCCC(=O)Oc1c(CCCCCCCCC)cccc1
inchi:
InChI=1S/C36H54O4/c1-3-5-7-9-11-13-15-23-31-25-17-19-27-33(31)39-35(37)29-21-22-30-36(38)40-34-28-20-18-26-32(34)24-16-14-12-10-8-6-4-2/h17-20,25-28H,3-16,21-24,29-30H2,1-2H3


name: diisodecyl phenyl phosphite
cas: 25550-98-5
chemspiderid: 10613163
formula: C26H47O3P1
inchikey: SXXILWLQSQDLDL-UHFFFAOYSA-N
norman_susdat_id: NS00007473
pubchem_cid: 16212880
smiles: CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1
inchi:
InChI=1S/C26H47O3P/c1-24(2)18-12-7-5-9-16-22-27-30(29-26-20-14-11-15-21-26)28-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3


name: Cannabigerolic acid
cas: 25555-57-1
chebiid: CHEBI:67081
chemspiderid: 4952655
formula: C22H32O4
inchikey: SEEZIOZEUUMJME-FOWTUZBSSA-N
norman_susdat_id: NS00018626
pubchem_cid: 6449999
smiles: CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O
inchi:
InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+


name: Psorcon
cas: 2557-49-5
chebiid: CHEBI:59750
dtxsid: DTXSID30859700
formula: C22H28F2O5
inchikey: WXURHACBFYSXBI-XHIJKXOTSA-N
norman_susdat_id: NS00069995
pubchem_cid: 71415
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)CO
inchi:
InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1


name: Eseridine
cas: 25573-43-7
formula: C15H21N3O3
inchikey: CNBHDDBNEKKMJH-WUJWULDRSA-N
norman_susdat_id: NS00086502
smiles: CNC(=O)Oc1ccc2c(c1)[C@]3(C)CCN(C)OC3N2C
inchi:
InChI=1/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)


name: Methyl N-(5-oxo-L-prolyl)-L-histidinate
cas: 25575-88-6
chemspiderid: 105051
dtxsid: DTXSID90180264
formula: C12H16N4O4
inchikey: OYBCNAPVAXUGLB-IUCAKERBSA-N
norman_susdat_id: NS00027920
pubchem_cid: 117551
smiles: COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18)/t8-,9-/m0/s1


name: N-(5-Oxo-L-prolyl)-L-histidinohydrazide
cas: 25575-89-7
chemspiderid: 2384236
dtxsid: DTXSID50180265
formula: C11H16N6O3
inchikey: ZNCVCDONTDKDNY-YUMQZZPRSA-N
norman_susdat_id: NS00027921
pubchem_cid: 117552
smiles: NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C11H16N6O3/c12-17-11(20)8(3-6-4-13-5-14-6)16-10(19)7-1-2-9(18)15-7/h4-5,7-8H,1-3,12H2,(H,13,14)(H,15,18)(H,16,19)(H,17,20)/t7-,8-/m0/s1


name: Norflunitrazepam
cas: 2558-30-7
chemspiderid: 68229
dtxsid: DTXSID30180268
formula: C15H10F1N3O3
inchikey: GAFGVIXGAAPSTO-UHFFFAOYSA-N
norman_susdat_id: NS00005507
pubchem_cid: 75711
smiles: [O-][N+](=O)c1ccc2NC(=O)CN=C(c3cccc(F)c3)c2c1
inchi:
InChI=1S/C15H10FN3O3/c16-10-3-1-2-9(6-10)15-12-7-11(19(21)22)4-5-13(12)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)


name: tris(methylphenyl) phosphite
cas: 25586-42-9
chemspiderid: 83895
formula: C21H21O3P1
inchikey: BKHZQJRTFNFCTG-UHFFFAOYSA-N
norman_susdat_id: NS00010245
pubchem_cid: 92937
smiles: Cc1ccccc1OP(Oc1ccccc1C)Oc1ccccc1C
inchi:
InChI=1S/C21H21O3P/c1-16-10-4-7-13-19(16)22-25(23-20-14-8-5-11-17(20)2)24-21-15-9-6-12-18(21)3/h4-15H,1-3H3


cas: 255881-94-8
norman_susdat_id: NS00076122
name:
Phosphorodithioic acid, mixed O,O-bis(2-ethylhexyl and iso-Bu and iso-Pr) S-[3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5(or 6)-yl] esters


cas: 255916-31-5
dtxsid: DTXSID00882782
norman_susdat_id: NS00108904
name:
1-Butene, 4-bromo-3,3,4,4-tetrafluoro-, polymer with 1-propene, 1,1,2,3,3,3-hexafluoro-, ethene, tetrafluoro-, ethene, trifluoro(trifluoromethoxy)-and ethene, 1,1-difluoro-


name: N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide
cas: 25594-47-2
formula: C20H25BrN6O7
inchikey: AIUORLVAJOVZSU-UHFFFAOYSA-N
norman_susdat_id: NS00052546
pubchem_cid: 117554
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCOC)CCOC)C
inchi:
InChI=1/C20H23BrN6O7/c1-13(28)22-18-11-14(25(6-8-33-2)7-9-34-3)4-5-17(18)23-24-20-16(21)10-15(26(29)30)12-19(20)27(31)32/h4-5,10-12H,6-9H2,1-3H3,(H,22,28)


name: delta-Tocotrienol
cas: 25612-59-3
chebiid: CHEBI:33276
chemspiderid: 4445512
dtxsid: DTXSID30180288
formula: C27H40O2
inchikey: ODADKLYLWWCHNB-LDYBVBFYSA-N
norman_susdat_id: NS00027923
pubchem_cid: 5282350
smiles: CC(=CCC/C(=C/CC/C(=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1)/C)/C)C
inchi:
InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1


name: Bromocriptine
cas: 25614-03-3
chebiid: CHEBI:3181
chemspiderid: 28858
dtxsid: DTXSID1022687
formula: C32H40Br1N5O5
inchikey: OZVBMTJYIDMWIL-AYFBDAFISA-N
norman_susdat_id: NS00001292
pubchem_cid: 31101
inchi:
InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1

smiles:
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C


name: Barium bis(dinonylnaphthalenesulphonate)
cas: 25619-56-1
formula: C28H44O3S.1/2Ba
inchikey: YSIQDTZQRDDQNF-UHFFFAOYSA-L
norman_susdat_id: NS00085458
inchi:
InChI=1/2C28H44O3S.Ba/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:
[Ba+2].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc3cc4ccccc4c(c3CCCCCCCCC)S(=O)(=O)[O-]


name: Dodecylphenoxybenzene
cas: 25619-63-0
dtxsid: DTXSID50948483
formula: C24H34O
inchikey: LGNQGTFARHLQFB-UHFFFAOYSA-N
norman_susdat_id: NS00053500
pubchem_cid: 18417939
smiles: O(C=1C=CC=CC1)C=2C=CC=CC2CCCCCCCCCCCC
inchi:
InChI=1/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3


cas: 25621-88-9
dtxsid: DTXSID2067113
formula: C15H9N5O4
inchikey: WNBHIVMDEIIICY-UHFFFAOYSA-N
norman_susdat_id: NS00053501
pubchem_cid: NA
smiles: N#CC(C(=O)N)=C1NC(C=2C=CC=CC21)=C3C(=O)NC(=O)NC3=O
name:
2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]acetamide

inchi:
InChI=1/C15H9N5O4/c16-5-8(12(17)21)10-6-3-1-2-4-7(6)11(18-10)9-13(22)19-15(24)20-14(9)23/h1-4,18H,(H2,17,21)(H2,19,20,22,23,24)


name: N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
cas: 25628-08-4
chemspiderid: NA
dtxsid: DTXSID30880236
formula: C12H19F9N1O3S1
inchikey: YHJYQOPSLSJYOP-UHFFFAOYSA-N
norman_susdat_id: NS00018878
pubchem_cid: NA
smiles: CC[N+](CC)(CC)C(C)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H19F9NO3S/c1-5-22(6-2,7-3)8(4)25-26(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h8H,5-7H2,1-4H3/q+1


name: 4-Fluorotryptophane
cas: 25631-05-4
dtxsid: DTXSID50350901
formula: C11H11FN2O2
inchikey: DEBQMEYEKKWIKC-QMMMGPOBSA-N
norman_susdat_id: NS00068195
pubchem_cid: 25272413
smiles: N[C@@H](Cc1c[nH]c2cccc(F)c12)C(=O)O
inchi:
InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1


name: 1,8-bis[(3-methylphenyl)amino]anthraquinone
cas: 25632-22-8
dtxsid: DTXSID40948492
formula: C28H22N2O2
inchikey: YBCMHEIWORKATQ-UHFFFAOYSA-N
norman_susdat_id: NS00052446
pubchem_cid: 117565
smiles: O=C1C=2C=CC=C(NC3=CC=CC(=C3)C)C2C(=O)C=4C(=CC=CC14)NC5=CC=CC(=C5)C
inchi:
InChI=1/C28H22N2O2/c1-17-7-3-9-19(15-17)29-23-13-5-11-21-25(23)28(32)26-22(27(21)31)12-6-14-24(26)30-20-10-4-8-18(2)16-20/h3-16,29-30H,1-2H3


name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis(phenylamino)-
cas: 25632-28-4
chemspiderid: 82426
dtxsid: DTXSID7067116
formula: C26H18N2O4
inchikey: RLIBFQOMSWBRGU-UHFFFAOYSA-N
norman_susdat_id: NS00020175
pubchem_cid: 117567
smiles: Oc1ccc(Nc2ccccc2)c2c1C(=O)c1c(Nc3ccccc3)ccc(O)c1C2=O
inchi:
InChI=1S/C26H18N2O4/c29-19-13-11-17(27-15-7-3-1-4-8-15)21-23(19)26(32)22-18(28-16-9-5-2-6-10-16)12-14-20(30)24(22)25(21)31/h1-14,27-30H


name: Hexapentyldistannoxane
cas: 25637-27-8
dtxsid: DTXSID5073450
formula: C30H66OSn2
inchikey: MNFUDUQONWPBMD-UHFFFAOYSA-N
norman_susdat_id: NS00052580
pubchem_cid: 16684179
smiles: O([Sn](CCCCC)(CCCCC)CCCCC)[Sn](CCCCC)(CCCCC)CCCCC
inchi:
InChI=1/6C5H11.O.2Sn/c6*1-3-5-4-2;;;/h6*1,3-5H2,2H3;;;/rC30H66OSn2/c1-7-13-19-25-32(26-20-14-8-2,27-21-15-9-3)31-33(28-22-16-10-4,29-23-17-11-5)30-24-18-12-6/h7-30H2,1-6H3


name: Dioleoylglycerol
cas: 25637-84-7
chemspiderid: 4938934
dtxsid: DTXSID9047671
formula: C39H72O5
inchikey: DRAWQKGUORNASA-YAFCTCPESA-N
norman_susdat_id: NS00013696
pubchem_cid: 6433933
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18+


name: Sucrose dioleate
cas: 25637-85-8
formula: C48H86O13
inchikey: XPTKHJYCRZUHJY-FSAWCSQFSA-N
norman_susdat_id: NS00052447
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1O)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C48H86O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-45-44(56)42(54)38(35-49)57-47(45)61-48(37-51)46(43(55)39(36-50)60-48)59-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39,42-47,49-51,54-56H,3-16,21-37H2,1-2H3


name: Citric acid, didodecyl ester
cas: 25637-88-1
chemspiderid: 105067
dtxsid: DTXSID80180319
formula: C30H56O7
inchikey: MUURADZHQSPGFN-UHFFFAOYSA-N
norman_susdat_id: NS00013590
pubchem_cid: 117573
smiles: CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCC)C(O)=O
inchi:
InChI=1S/C30H56O7/c1-3-5-7-9-11-13-15-17-19-21-23-36-27(31)25-30(35,29(33)34)26-28(32)37-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-26H2,1-2H3,(H,33,34)


name: Sucrose dipalmitate
cas: 25637-97-2
dtxsid: DTXSID40948497
formula: C44H82O13
inchikey: ZSWUPJBTOWXUMD-LXCJDVRASA-N
norman_susdat_id: NS00053502
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1O)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
inchi:
InChI=1/C44H82O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(48)54-41-40(52)38(50)34(31-45)53-43(41)57-44(33-47)42(39(51)35(32-46)56-44)55-37(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-43,45-47,50-52H,3-33H2,1-2H3


name: Sodium butylnaphthalenesulphonate
cas: 25638-17-9
formula: C14H16O3S.Na
inchikey: AFTOVGIFYVNBID-UHFFFAOYSA-M
norman_susdat_id: NS00086524
smiles: [Na+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C14H16O3S.Na/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1


name: Galaxolidone
cas: 256393-37-0
chebiid: CHEBI:83519
chemspiderid: 28290252
dtxsid: DTXSID10881089
formula: C18H24O2
inchikey: PGMHPYRIXBRRQD-UHFFFAOYSA-N
norman_susdat_id: NS00000303
pubchem_cid: 69131857
smiles: CC2(C)c1cc3C(=O)OCC(C)c3cc1C(C)(C)C2C
inchi:
InChI=1S/C18H24O2/c1-10-9-20-16(19)13-8-15-14(7-12(10)13)17(3,4)11(2)18(15,5)6/h7-8,10-11H,9H2,1-6H3


name: 2'-Deoxyguanosine 5'-triphosphate (dGTP)
cas: 2564-35-4
chebiid: CHEBI:16497
chemspiderid: 58613
formula: C10H16N5O13P3
inchikey: HAAZLUGHYHWQIW-KVQBGUIXSA-N
norman_susdat_id: NS00014825
pubchem_cid: 65103
smiles: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n1cnc2c1NC(=N/C2=O)N)CC3O
inchi:
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1


cas: 25640-14-6
dtxsid: DTXSID4094164
norman_susdat_id: NS00113183
name:
1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester, polymer with 1,4-cyclohexanedimethanol and 1,2-ethanediol


name: Bis(1-phenylethyl)phenol
cas: 25640-70-4
formula: C22H22O
inchikey: ALEYBMUCCRAJEB-UHFFFAOYSA-N
norman_susdat_id: NS00052582
pubchem_cid: 19010394
smiles: OC1=CC=CC(=C1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C
inchi:
InChI=1/C22H22O/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(23)22(20)17(2)19-12-7-4-8-13-19/h3-17,23H,1-2H3


name: Tris(1-phenylethyl)phenol
cas: 25640-71-5
chemspiderid: 2283420
formula: C30H30O1
inchikey: SFJOBYZKUSLNIG-UHFFFAOYSA-N
norman_susdat_id: NS00005479
pubchem_cid: 3015242
smiles: CC(c1ccccc1)c1ccc(O)c(C(C)c2ccccc2)c1C(C)c1ccccc1
inchi:
InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-20-28(31)30(23(3)26-17-11-6-12-18-26)29(27)22(2)25-15-9-5-10-16-25/h4-23,31H,1-3H3


name: Dimethyl 2-(perfluoropropyl)-p-benzenedicarbamate
cas: 25642-22-2
dtxsid: DTXSID10897468
formula: C13H11F7N2O4
inchikey: SQOWQAGMMNBLLE-UHFFFAOYSA-N
norman_susdat_id: NS00109463
smiles: COC(=O)NC1=CC(=C(NC(=O)OC)C=C1)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H11F7N2O4/c1-25-9(23)21-6-3-4-8(22-10(24)26-2)7(5-6)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3,(H,21,23)(H,22,24)


name: Org-24447
cas: 256456-73-2
formula: C19H31NO6
inchikey: GKRFHHRXDUACIN-OAHLLOKOSA-N
norman_susdat_id: NS00072214
pubchem_cid: 9885653
smiles: CC[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N(CCOC)CCOC
inchi:
InChI=1S/C19H31NO6/c1-7-15(20(8-10-22-3)9-11-23-4)19(21)26-18-16(24-5)12-14(2)13-17(18)25-6/h12-13,15H,7-11H2,1-6H3/t15-/m1/s1


name: Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3)
cas: 25646-71-3
chemspiderid: 82689
dtxsid: DTXSID2027882
formula: C12H21N3O2S1
inchi: InChI=1S/C12H21N3O2S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11/h5-6,9,14H,4,7-8,13H2,1-3H3
inchikey: NPDFXFLCEDDWEG-UHFFFAOYSA-N
norman_susdat_id: NS00019659
pubchem_cid: 91578
smiles:
OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.CCN(CCNS(=O)(=O)C)c1cc(C)c(N)cc1.CCN(CCNS(=O)(=O)C)c1cc(C)c(N)cc1


name: (4-ammonio-m-tolyl)ethyl(2-hydroxyethyl)ammonium sulphate
cas: 25646-77-9
formula: C11H18N2O.H2O4S
inchikey: GVEYRUKUJCHJSR-UHFFFAOYSA-N
norman_susdat_id: NS00085757
smiles: CC[NH+](CCO)c1ccc([NH3+])c(C)c1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)


name: Bis[(p-aminophenyl)ethyl(2-hydroxyethyl)ammonium] sulphate
cas: 25646-78-0
formula: C10H16N2O.1/2H2O4S
inchikey: FGMPNNMXDQQSKP-UHFFFAOYSA-N
norman_susdat_id: NS00085773
smiles: CC[NH+](CCO)c1ccc(N)cc1.CC[NH+](CCO)c2ccc(N)cc2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C10H16N2O.H2O4S/c2*1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h2*3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)


name: Fr233623
cas: 256461-79-7
formula: C19H21N3O2
inchikey: OODDZQQDDOVCFD-SCLBCKFNSA-N
norman_susdat_id: NS00068171
pubchem_cid: 449013
smiles: C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1
inchi:
InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1


name: Nantenine
cas: 2565-01-7
chebiid: CHEBI:68992
chemspiderid: 170619
dtxsid: DTXSID70180343
formula: C20H21NO4
inchikey: WSVWKHTVFGTTKJ-AWEZNQCLSA-N
norman_susdat_id: NS00094771
pubchem_cid: 197001
smiles: COC1=C(OC)C2=C3[C@H](CC4=CC5=C(OCO5)C=C24)N(C)CCC3=C1
inchi:
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1


name: Eduardine
cas: 25650-68-4
chemspiderid: 5316984
formula: C27H43NO2
inchikey: MWBJDDYEYGDWCZ-UWGLCIHQSA-N
norman_susdat_id: NS00094280
pubchem_cid: 4475928
smiles:
C[C@H]1CC[C@H]2[C@@H]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C


name: Ebeiedine
cas: 25650-70-8
chemspiderid: 5316983
formula: C27H45NO2
inchikey: NEMWYOKGHGSVSC-DZYYLIMLSA-N
norman_susdat_id: NS00094279
pubchem_cid: 4475927
smiles:
C[C@H]1CC[C@H]2[C@@H]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C


name: 3-Thiazolidineacetic acid, 5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-
cas: 25651-76-7
chemspiderid: 82446
dtxsid: DTXSID7067118
formula: C12H14N2O3S3
inchikey: LNKNWPNGZMWPFA-UHFFFAOYSA-N
norman_susdat_id: NS00027932
pubchem_cid: 117588
smiles: CN1CCS/C/1=C/C(=C/1SC(=S)N(CC(=O)O)C1=O)/C
inchi:
InChI=1S/C12H14N2O3S3/c1-7(5-8-13(2)3-4-19-8)10-11(17)14(6-9(15)16)12(18)20-10/h5H,3-4,6H2,1-2H3,(H,15,16)/b8-5+,10-7-


name: Cannabigerol
cas: 25654-31-3
chebiid: CHEBI:69477
chemspiderid: 4474921
formula: C21H32O2
inchikey: QXACEHWTBCFNSA-SFQUDFHCSA-N
norman_susdat_id: NS00017925
pubchem_cid: 5315659
smiles: CCCCCC1=CC(=C(C(=C1)O)CC=C(C)CCC=C(C)C)O
inchi:
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+


name: 2'-Deoxyguanosine 5'-monophosphate (dGMP)
cas: 25656-92-2
chebiid: CHEBI:16192
chemspiderid: 58145336
formula: C10H14N5O7P1
inchikey: LTFMZDNNPPEQNG-KVQBGUIXSA-N
norman_susdat_id: NS00014824
pubchem_cid: 65059
smiles: C1C(C(OC1N2C=NC3=C2N=C(N=C3O)N)COP(=O)(O)O)O
inchi:
InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1


name: Lead diiodate
cas: 25659-31-8
formula: HIO3.1/2Pb
inchikey: DRHWBADNSVQEGH-UHFFFAOYSA-L
norman_susdat_id: NS00085470
smiles: [Pb+2].[O-]I(=O)=O.[O-]I(=O)=O
inchi:
InChI=1/2HIO3.Pb.2H/c2*2-1(3)4;;;/h2*(H,2,3,4);;;/q;;+4;;/p-2/r2HIO3.H2Pb/c2*2-1(3)4;/h2*(H,2,3,4);1H2/q;;+4/p-2


cas: 2566-86-1
chemspiderid: 68243
dtxsid: DTXSID70180363
formula: C34H49N3O5S2
inchikey: XRURHQQYUBFGFD-UHFFFAOYSA-N
norman_susdat_id: NS00027938
pubchem_cid: 75726
smiles: CCCCCCCCCCCCCCCCCCSc1c(cccc1)N1N=C(CC1=O)NC(=O)c1c(cccc1)S(=O)(=O)O
name:
o-(((4,5-Dihydro-1-(2-(octadecylthio)phenyl)-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)benzenesulphonic acid

inchi:
InChI=1S/C34H49N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-43-30-24-19-18-23-29(30)37-33(38)27-32(36-37)35-34(39)28-22-17-20-25-31(28)44(40,41)42/h17-20,22-25H,2-16,21,26-27H2,1H3,(H,35,36,39)(H,40,41,42)


name: Methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
cas: 2566-89-4
chebiid: CHEBI:78033
formula: C21H34O2
inchikey: OFIDNKMQBYGNIW-ZKWNWVNESA-N
norman_susdat_id: NS00045618
pubchem_cid: 6421258
smiles: O=C(OC)CCCC=CCC=CCC=CCC=CCCCCC
inchi:
InChI=1/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3


name: Docosahexaenoic acid methyl ester
cas: 2566-90-7
chebiid: CHEBI:167725
formula: C23H34O2
inchikey: VCDLWFYODNTQOT-JDPCYWKWSA-N
norman_susdat_id: NS00096488
smiles: CC/C=CC/C=CC/C=CC/C=CC/C=CC/C=CCCC(=O)OC
inchi:
InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-


cas: 25664-81-7
formula: C20H22N4O11S3
inchikey: VMRASBDRVJTOLR-UHFFFAOYSA-L
norman_susdat_id: NS00053524
pubchem_cid: 162961
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C)C3=CC=C(C=C3)S(=O)(=O)[O-]
name:
Disodium p-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C20H22N4O11S3.2Na/c1-12-10-16(17(34-3)11-18(12)36(26,27)9-8-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-4-6-15(7-5-14)37(28,29)30;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Propanedinitrile, [[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-
cas: 25665-01-4
chemspiderid: 105092
dtxsid: DTXSID6067123
formula: C15H17N3O2
inchikey: XCHBWNUDMKFJDW-UHFFFAOYSA-N
norman_susdat_id: NS00021948
pubchem_cid: 117598
smiles: Cc1cc(ccc1C=C(C#N)C#N)N(CCO)CCO
inchi:
InChI=1S/C15H17N3O2/c1-12-8-15(18(4-6-19)5-7-20)3-2-14(12)9-13(10-16)11-17/h2-3,8-9,19-20H,4-7H2,1H3


name: N-Amidino-6-chloro-3-((cyclopropylmethyl)amino)pyrazinecarboxamide
cas: 25670-43-3
chemspiderid: 105093
dtxsid: DTXSID10180367
formula: C10H13Cl1N6O1
inchikey: OSUKTVSLIHVJKJ-UHFFFAOYSA-N
norman_susdat_id: NS00027939
pubchem_cid: 117599
smiles: NC(=NC(=O)c1nc(Cl)cnc1NCC1CC1)N
inchi:
InChI=1S/C10H13ClN6O/c11-6-4-15-8(14-3-5-1-2-5)7(16-6)9(18)17-10(12)13/h4-5H,1-3H2,(H,14,15)(H4,12,13,17,18)


name: [2-amino-3-(1h-imidazol-5-yl)propoxy]phosphonic acid
cas: 25679-93-0
chebiid: CHEBI:16996
formula: C6H12N3O4P
inchikey: CWNDERHTHMWBSI-YFKPBYRVSA-N
norman_susdat_id: NS00068826
pubchem_cid: 439398
smiles: N[C@H](COP(=O)(O)O)Cc1cnc[nH]1
inchi:
InChI=1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1


name: Terizidon
cas: 25683-71-0
chemspiderid: 59144
formula: C14H14N4O4
inchikey: ODKYYBOHSVLGNU-UHFFFAOYSA-N
norman_susdat_id: NS00009717
pubchem_cid: 65720
smiles: O=C1NOCC1N=Cc1ccc(C=NC2CONC2=O)cc1
inchi:
InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)


name: N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-glutamine
cas: 25692-86-8
dtxsid: DTXSID60948570
formula: C21H24N2O5
inchikey: BQPZWQIOIKVHCC-KRWDZBQOSA-N
norman_susdat_id: NS00048319
pubchem_cid: 117605
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)CCC(=O)N
inchi:
InChI=1/C21H24N2O5/c1-21(2,28-20(27)23-17(19(25)26)12-13-18(22)24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)


name: Dibromo-16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
cas: 25704-81-8
formula: C36H18Br2O4
inchikey: AVWSGMMOWQCYNR-UHFFFAOYSA-N
norman_susdat_id: NS00048904
pubchem_cid: 21150880
smiles: O=C1C=2C=CC=CC2C=3C=C(OC)C=4C5=C(OC)C=C6C=7C(Br)=C(Br)C=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86
inchi:
InChI=1/C36H18Br2O4/c1-41-25-13-22-15-5-3-4-6-18(15)35(39)19-9-7-16-17-8-10-20-28-23(29-21(36(20)40)11-12-24(37)34(29)38)14-26(42-2)33(31(17)28)32(25)30(16)27(19)22/h3-14H,1-2H3


name: 2',7'-dibromo-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 25709-81-3
dtxsid: DTXSID30948587
formula: C20H10Br2O5
inchikey: YNBZQSXWRWAXMV-UHFFFAOYSA-N
norman_susdat_id: NS00048286
pubchem_cid: 117608
smiles: O=C1OC2(C=3C=CC=CC13)C4=CC(Br)=C(O)C=C4OC5=CC(O)=C(Br)C=C52
inchi:
InChI=1/C20H10Br2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H


name: Tutin
cas: 2571-22-4
chebiid: CHEBI:9783
dtxsid: DTXSID30180400
formula: C15H18O6
inchikey: CCAZWUJBLXKBAY-ULZPOIKGSA-N
norman_susdat_id: NS00075416
smiles: CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
inchi:
InChI=1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1


name: AZULENO[4,5-B]FURAN-2,9-DIONE, DECAHYDRO-6A-HYDR
cas: 2571-81-5
chemspiderid: 225689
dtxsid: DTXSID20874700
formula: C15H20O4
inchikey: GEUJJEYGSRWXPC-UHFFFAOYSA-N
norman_susdat_id: NS00094662
pubchem_cid: 257278
smiles: CC1CCC2C(OC(=O)C2=C)C2(C)C(=O)CCC12O
inchi:
InChI=1/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3


name: 5,5,12,12-tetrabutyl-8-methylene-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane
cas: 25711-26-6
dtxsid: DTXSID70180404
formula: C29H58O4Sn2
inchikey: HCYQUDAPBSFLSL-UHFFFAOYSA-L
norman_susdat_id: NS00048922
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C(=C)CC(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C5H6O4.6C4H9.2Sn/c1-3(5(8)9)2-4(6)7;6*1-3-4-2;;/h1-2H2,(H,6,7)(H,8,9);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC29H58O4Sn2/c1-8-14-20-34(21-15-9-2,22-16-10-3)32-28(30)26-27(7)29(31)33-35(23-17-11-4,24-18-12-5)25-19-13-6/h7-26H2,1-6H3


name: Perfluoro(2-(2-phenoxypropoxy)propanoyl) fluoride
cas: 25711-77-7
chemspiderid: 82497
dtxsid: DTXSID90880237
formula: C12F16O3
inchikey: BTMPGBKXGNLFBU-UHFFFAOYSA-N
norman_susdat_id: NS00018879
pubchem_cid: 117273
smiles: FC(=O)C(F)(OC(F)(F)C(F)(OC1=C(F)C(F)=C(F)C(F)=C1F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12F16O3/c13-1-2(14)4(16)6(5(17)3(1)15)30-9(20,11(24,25)26)12(27,28)31-8(19,7(18)29)10(21,22)23


name: Benzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis-
cas: 25712-08-7
chemspiderid: 74331
dtxsid: DTXSID6067127
formula: C27H24N6O9S2
inchikey: LARRMQDVFRFBIE-UHFFFAOYSA-N
norman_susdat_id: NS00027946
pubchem_cid: 82363
smiles: COc1cc(ccc1NC(=O)Nc1c(OC)cc(cc1)N=Nc1cccc(c1)S(=O)(=O)O)N=Nc1cccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C27H24N6O9S2/c1-41-25-15-19(32-30-17-5-3-7-21(13-17)43(35,36)37)9-11-23(25)28-27(34)29-24-12-10-20(16-26(24)42-2)33-31-18-6-4-8-22(14-18)44(38,39)40/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40)/b32-30+,33-31?


name: 2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine
cas: 25713-60-4
chemspiderid: 82916
dtxsid: DTXSID0058695
formula: C21H6Br9N3O3
inchikey: BDFBPPCACYFGFA-UHFFFAOYSA-N
norman_susdat_id: NS00008444
pubchem_cid: 91820
smiles: Brc1cc(Br)c(Oc2nc(Oc3c(Br)cc(Br)cc3Br)nc(Oc3c(Br)cc(Br)cc3Br)n2)c(Br)c1
inchi:
InChI=1S/C21H6Br9N3O3/c22-7-1-10(25)16(11(26)2-7)34-19-31-20(35-17-12(27)3-8(23)4-13(17)28)33-21(32-19)36-18-14(29)5-9(24)6-15(18)30/h1-6H


name: 2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 25717-55-9
dtxsid: DTXSID60885310
formula: C20H23N2O
inchikey: OXPKRRHGPFICAE-UHFFFAOYSA-N
norman_susdat_id: NS00047548
pubchem_cid: NA
smiles: [Cl-].O(C1=CC=C(C=C1)NC=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C
inchi:
InChI=1/C20H22N2O.ClH/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;/h5-14H,1-4H3;1H


cas: 2572-61-4
formula: C17H21N5O5.ClH
inchikey: CSKCJAUXLOQTMM-UHFFFAOYSA-N
norman_susdat_id: NS00081197
smiles: Cl.CN1C(=O)N(C)c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2C1=O
name:
7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

inchi:
InChI=1/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H


name: Decyl hexyl phthalate
cas: 25724-58-7
dtxsid: DTXSID70874013
formula: C24H38O4
inchikey: OMQBXAQAHHFSST-UHFFFAOYSA-N
norman_susdat_id: NS00047549
pubchem_cid: 33154
smiles: O=C(OCCCCCC)C=1C=CC=CC1C(=O)OCCCCCCCCCC
inchi:
InChI=1/C24H38O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3


name: Zinc bis(dicyclohexyldithiophosphinate)
cas: 2573-69-5
dtxsid: DTXSID2062531
formula: C12H23PS2
inchikey: OFROEAZLQCMCPL-UHFFFAOYSA-L
norman_susdat_id: NS00044898
pubchem_cid: 75641
smiles: [Zn+2].S=P([S-])(C1CCCCC1)C2CCCCC2.S=P([S-])(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/2C12H23PS2.Zn/c2*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*11-12H,1-10H2,(H,14,15);/q;;+2/p-2


name: 3,3'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonic acid
cas: 25738-24-3
formula: C35H28N6O13S4
inchikey: XFUDRSZJCBDNPN-UHFFFAOYSA-N
norman_susdat_id: NS00083375
inchi:
InChI=1/C35H28N6O13S4/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(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)

smiles:
OS(=O)(=O)c6cccc1c6cc(cc1S(O)(=O)=O)N=Nc2ccc(cc2C)NC(=O)Nc5ccc(N=Nc4cc3c(cccc3c(c4)S(O)(=O)=O)S(O)(=O)=O)c(C)c5


name: 4,4'-bis(3-phenylureido)-2,2'-stilbenedisulphonic acid
cas: 25738-35-6
formula: C28H24N4O8S2
inchikey: SEXWRZHFWPOWFA-VAWYXSNFSA-N
norman_susdat_id: NS00082728
smiles: OS(=O)(=O)c1cc(NC(=O)Nc2ccccc2)ccc1\C=C\c3ccc(NC(=O)Nc4ccccc4)cc3S(=O)(=O)O
inchi:
InChI=1/C28H24N4O8S2/c33-27(29-21-7-3-1-4-8-21)31-23-15-13-19(25(17-23)41(35,36)37)11-12-20-14-16-24(18-26(20)42(38,39)40)32-28(34)30-22-9-5-2-6-10-22/h1-18H,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40)


name: 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonic acid
cas: 25738-39-0
formula: C27H20N4O9S2
inchikey: ZMJZWRQKSFYRJU-UHFFFAOYSA-N
norman_susdat_id: NS00048288
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(N=NC=2C=C(C(O)=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)O)C2O)CO)C=5C=CC=CC51
inchi:
InChI=1/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)


name: p-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonic acid
cas: 25739-63-3
formula: C16H14N4O4S
inchikey: OILFJMYLWASPJD-UHFFFAOYSA-N
norman_susdat_id: NS00082729
smiles: OS(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O
inchi:
InChI=1/C16H14N4O4S/c1-11-15(18-17-12-5-3-2-4-6-12)16(21)20(19-11)13-7-9-14(10-8-13)25(22,23)24/h2-10,15H,1H3,(H,22,23,24)


cas: 25739-67-7
formula: C23H21N5O6S2
inchikey: DNNYNDQWWWDTPP-UHFFFAOYSA-N
norman_susdat_id: NS00048289
pubchem_cid: 22839
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3)C)C4=CC=C(C=C4)S(=O)(=O)O
name:
p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C23H21N5O6S2/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34/h3-14,22,27H,1-2H3,(H,32,33,34)


name: 9,10-Anthracenedione, 1-[[3-(dimethylamino)propyl]amino]-4-[(4-methylphenyl)amino]-
cas: 25743-94-6
chemspiderid: 105110
dtxsid: DTXSID0067133
formula: C26H27N3O2
inchikey: FTYQWGDZBXEMPO-UHFFFAOYSA-N
norman_susdat_id: NS00027956
pubchem_cid: 117621
smiles: CN(C)CCCNc1ccc(Nc2ccc(C)cc2)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C26H27N3O2/c1-17-9-11-18(12-10-17)28-22-14-13-21(27-15-6-16-29(2)3)23-24(22)26(31)20-8-5-4-7-19(20)25(23)30/h4-5,7-14,27-28H,6,15-16H2,1-3H3


name: 5(4H)-Oxazolone, 4,4'-(1,4-phenylenedimethylidyne)bis[2-phenyl-
cas: 25744-09-6
chemspiderid: 105111
dtxsid: DTXSID5067134
formula: C26H16N2O4
inchikey: XYSKEVMXUOWHBI-UHFFFAOYSA-N
norman_susdat_id: NS00027958
pubchem_cid: 117622
smiles: O=C1OC(=N/C/1=C/c1ccc(/C=C2/N=C(OC2=O)c2ccccc2)cc1)c1ccccc1
inchi:
InChI=1S/C26H16N2O4/c29-25-21(27-23(31-25)19-7-3-1-4-8-19)15-17-11-13-18(14-12-17)16-22-26(30)32-24(28-22)20-9-5-2-6-10-20/h1-16H/b21-15+,22-16+


cas: 25746-43-4
formula: C51H42N8O17S4
inchikey: WQFSYAKWAFJVJK-UHFFFAOYSA-J
norman_susdat_id: NS00048308
pubchem_cid: NA
name:
1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[[3-[[[4-[(4,8-disulfo-2-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]-4-methoxyphenyl]azo]benzoyl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrapotassium salt

inchi:
InChI=1/C51H42N8O17S4.4K/c1-27-18-41(44(75-4)25-39(27)58-56-32-21-36-34(48(23-32)79(68,69)70)8-6-10-46(36)77(62,63)64)52-50(60)29-12-14-30(15-13-29)54-55-31-16-17-43(74-3)38(20-31)51(61)53-42-19-28(2)40(26-45(42)76-5)59-57-33-22-37-35(49(24-33)80(71,72)73)9-7-11-47(37)78(65,66)67;;;;/h6-26H,1-5H3,(H,52,60)(H,53,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73);;;;/q;4*+1/p-4

smiles:
[K+].[K+].[K+].[K+].O=C(NC1=CC(=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C=C1OC)C)C4=CC=C(N=NC5=CC=C(OC)C(=C5)C(=O)NC6=CC(=C(N=NC=7C=C8C(C=CC=C8S(=O)(=O)[O-])=C(C7)S(=O)(=O)[O-])C=C6OC)C)C=C4


name: 4-[bis(benzyl)amino]-2,5-diethoxybenzenediazonium sulphate (2:1)
cas: 25746-72-9
dtxsid: DTXSID20948617
formula: C24H26N3O2
inchikey: QMGDTBKBBQZYSX-UHFFFAOYSA-L
norman_susdat_id: NS00048309
pubchem_cid: 21118136
inchi:
InChI=1/2C24H26N3O2.H2O4S/c2*1-3-28-23-16-22(24(29-4-2)15-21(23)26-25)27(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20;1-5(2,3)4/h2*5-16H,3-4,17-18H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
N#[N+]C=1C=C(OCC)C(=CC1OCC)N(CC=2C=CC=CC2)CC=3C=CC=CC3.N#[N+]C=1C=C(OCC)C(=CC1OCC)N(CC=2C=CC=CC2)CC=3C=CC=CC3.O=S(=O)([O-])[O-]


cas: 25746-81-0
formula: C16H13ClN4O5S
inchikey: LSFNRVBPDLEXDS-UHFFFAOYSA-N
norman_susdat_id: NS00048322
pubchem_cid: 72673
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC(=C2O)S(=O)(=O)O)C=3C=CC=CC3
name:
5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulphonic acid

inchi:
InChI=1/C16H13ClN4O5S/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26/h2-8,14,22H,1H3,(H,24,25,26)


name: 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-
cas: 25747-05-1
dtxsid: DTXSID5067136
formula: C20H14N2O5S
inchikey: BRDGZOLJYALNOY-UHFFFAOYSA-N
norman_susdat_id: NS00048310
pubchem_cid: 19098
smiles: O=S(=O)(O)C1=CC(O)=C(N=NC=2C=CC=3C=CC=CC3C2O)C=4C=CC=CC41
inchi:
InChI=1/C20H14N2O5S/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24/h1-11,23-24H,(H,25,26,27)


name: 5-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonic acid
cas: 25747-06-2
dtxsid: DTXSID80948618
formula: C16H11ClN2O6S
inchikey: IBYXVIWFHOXOFB-UHFFFAOYSA-N
norman_susdat_id: NS00048323
pubchem_cid: 77168
smiles: O=S(=O)(O)C=1C=C(Cl)C=C(N=NC=2C=CC=3C(O)=CC=CC3C2O)C1O
inchi:
InChI=1/C16H11ClN2O6S/c17-8-6-12(16(22)14(7-8)26(23,24)25)19-18-11-5-4-9-10(15(11)21)2-1-3-13(9)20/h1-7,20-22H,(H,23,24,25)


name: 3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxybenzenesulfonic acid
cas: 25747-07-3
chemspiderid: 4588930
formula: C16H12N2O6S1
inchikey: BNBSEAFANQAPGO-UHFFFAOYSA-N
norman_susdat_id: NS00007211
pubchem_cid: 5486422
smiles: Oc1ccc(cc1NNC1=CC=C2C(=O)C=CC=C2C1=O)S(O)(=O)=O
inchi:
InChI=1S/C16H12N2O6S/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20/h1-8,17-18,20H,(H,22,23,24)


name: 3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]-7-nitronaphthalene-1-sulphonic acid
cas: 25747-08-4
formula: C20H13N3O7S
inchikey: GDHWAXDSTKHEAZ-UHFFFAOYSA-N
norman_susdat_id: NS00083093
smiles: OS(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccc(cc34)[N+]([O-])=O
inchi:
InChI=1/C20H13N3O7S/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25/h1-10,24-25H,(H,28,29,30)


name: 5-[[4-[(4-sulphophenyl)azo]phenyl]azo]salicylic acid
cas: 25747-21-1
formula: C19H14N4O6S
inchikey: VVHOUPGUNISBKS-UHFFFAOYSA-N
norman_susdat_id: NS00048338
pubchem_cid: 77105
smiles: O=C(O)C1=CC(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)=CC=C1O
inchi:
InChI=1/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)


name: 2-(heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethylamine
cas: 25749-86-4
dtxsid: DTXSID30948623
formula: C22H43N3
inchikey: BCFGKJJLWWPZAT-UHFFFAOYSA-N
norman_susdat_id: NS00047621
pubchem_cid: 117624
smiles: N1=C(N(CC1)CCN)CCCCCCCCCCCCCCCC=C
inchi:
InChI=1/C22H43N3/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/h2H,1,3-21,23H2


name: N-(N-glycyl-L-leucyl)glycine
cas: 2576-67-2
chebiid: CHEBI:163803
formula: C10H19N3O4
inchikey: CCBIBMKQNXHNIN-ZETCQYMHSA-N
norman_susdat_id: NS00044899
pubchem_cid: NA
smiles: O=C(O)CNC(=O)C(NC(=O)CN)CC(C)C
inchi:
InChI=1/C10H19N3O4/c1-6(2)3-7(13-8(14)4-11)10(17)12-5-9(15)16/h6-7H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)


name: Metoclopramide dihydrochloride
cas: 2576-84-3
dtxsid: DTXSID20180434
formula: C14H24Cl3N3O2
inchikey: HPPDSFRJRMUHSC-UHFFFAOYSA-N
norman_susdat_id: NS00076208
smiles: Cl.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
inchi:
InChI=1S/C14H22ClN3O2.2ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H


name: 3,6,9,12,15,18,21,24,27,30,33-Undecaoxapentatetracontan-1-ol
cas: 25763-63-7
chemspiderid: NA
dtxsid: DTXSID30566341
formula: C34H70O12
inchikey: QEZQGPFAVAAYQT-UHFFFAOYSA-N
norman_susdat_id: NS00014606
pubchem_cid: 14973981
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C34H70O12/c1-2-3-4-5-6-7-8-9-10-11-13-36-15-17-38-19-21-40-23-25-42-27-29-44-31-33-46-34-32-45-30-28-43-26-24-41-22-20-39-18-16-37-14-12-35/h35H,2-34H2,1H3


name: Tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionate
cas: 25767-20-8
dtxsid: DTXSID40889396
formula: C40H52N4O8
inchikey: XTJFWXWONRQZQT-UHFFFAOYSA-N
norman_susdat_id: NS00048358
pubchem_cid: NA
inchi:
InChI=1/C40H44N4O8/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33/h17-20H,9-16H2,1-8H3

smiles:
O=C(OC)CCC=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C2)C(=C5CCC(=O)OC)C)C(=C4CCC(=O)OC)C)C(=C3CCC(=O)OC)C)C1C


name: 3-phenyl-N-(3-phenyl-L-alanyl)-L-alanine
cas: 2577-40-4
chebiid: CHEBI:72723
dtxsid: DTXSID80948633
formula: C18H20N2O3
inchikey: GKZIWHRNKRBEOH-HOTGVXAUSA-N
norman_susdat_id: NS00045604
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)CC=1C=CC=CC1)CC=2C=CC=CC2
inchi:
InChI=1/C18H20N2O3/c19-15(11-13-7-3-1-4-8-13)17(21)20-16(18(22)23)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H,20,21)(H,22,23)


name: 4-Methyl-N-(2-quinolinyl)benzenesulfonamide
cas: 25770-52-9
chemspiderid: 2090856
formula: C16H14N2O2S1
inchikey: XFJJGEIKODBFGJ-UHFFFAOYSA-N
norman_susdat_id: NS00016138
pubchem_cid: 2812452
smiles: CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3C=C2
inchi:
InChI=1S/C16H14N2O2S/c1-12-6-9-14(10-7-12)21(19,20)18-16-11-8-13-4-2-3-5-15(13)17-16/h2-11H,1H3,(H,17,18)


name: Tetrasodium naphthalene-1,3,5,7-tetrasulphonate
cas: 25779-05-9
dtxsid: DTXSID90180446
formula: C10H8O12S4
inchikey: LLRBXZUIOCTLSN-UHFFFAOYSA-J
norman_susdat_id: NS00047622
pubchem_cid: 3015248
inchi:
InChI=1/C10H8O12S4.4Na/c11-23(12,13)5-1-7-8(10(3-5)26(20,21)22)2-6(24(14,15)16)4-9(7)25(17,18)19;;;;/h1-4H,(H,11,12,13)(H,14,15,16)(H,17,18,19)(H,20,21,22);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=C(C=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: 1,6-dimethyl-2-[(1-methyl-4(1H)-quinolylidene)methyl]quinolinium iodide
cas: 2578-40-7
dtxsid: DTXSID50948645
formula: C22H21N2
inchikey: GGVGEPBFZGZKFG-UHFFFAOYSA-M
norman_susdat_id: NS00045414
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C(C=CN2C)=CC3=CC=C4C=C(C=CC4=[N+]3C)C
inchi:
InChI=1/C22H21N2.HI/c1-16-8-11-21-18(14-16)9-10-19(24(21)3)15-17-12-13-23(2)22-7-5-4-6-20(17)22;/h4-15H,1-3H3;1H/q+1;/p-1


name: 4-nitrophenyl 3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alaninate
cas: 2578-84-9
formula: C23H21N2O6
inchikey: TVENQUPLPBPLGU-NRFANRHFSA-N
norman_susdat_id: NS00046702
pubchem_cid: 151025
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])CC=3C=CC=CC3
inchi:
InChI=1/C23H20N2O6/c26-22(31-20-13-11-19(12-14-20)25(28)29)21(15-17-7-3-1-4-8-17)24-23(27)30-16-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,24,27)


name: 22,23-dihydroergosteryl acetate, non-irradiated
cas: 2579-14-8
formula: C30H48O2
inchikey: OEQXNFVIQLJFHG-UHFFFAOYSA-N
norman_susdat_id: NS00046115
pubchem_cid: 4183856
smiles: O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C)CCC(C)C(C)C)C2(C)CC1)C
inchi:
InChI=1/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10-11,19-21,24,26-28H,8-9,12-18H2,1-7H3


name: 2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-(3-methylphenyl)-3-oxo-, methyl ester
cas: 25790-28-7
chemspiderid: 105126
dtxsid: DTXSID4067149
formula: C15H21N1O6
inchikey: AIKNSKGNNYHMPF-UHFFFAOYSA-N
norman_susdat_id: NS00027965
pubchem_cid: 117638
smiles: COC(=O)OCCN(CCOC(=O)OC)c1cc(C)ccc1
inchi:
InChI=1S/C15H21NO6/c1-12-5-4-6-13(11-12)16(7-9-21-14(17)19-2)8-10-22-15(18)20-3/h4-6,11H,7-10H2,1-3H3


cas: 25790-73-2
dtxsid: DTXSID20889692
formula: C26H28Cl2N10O8S2
inchikey: YHHNDMUNIZMJHF-CZEFNJPISA-L
norman_susdat_id: NS00047637
pubchem_cid: 6441462
name:
Disodium 4,4'-bis[[4-chloro-6-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C26H28Cl2N10O8S2.2Na/c1-37(9-11-39)25-33-21(27)31-23(35-25)29-17-7-5-15(19(13-17)47(41,42)43)3-4-16-6-8-18(14-20(16)48(44,45)46)30-24-32-22(28)34-26(36-24)38(2)10-12-40;;/h3-8,13-14,39-40H,9-12H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36);;/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)N(C)CCO)NC4=NC(Cl)=NC(=N4)N(C)CCO


name: Tetradecyltriphenylphosphonium bromide
cas: 25791-20-2
dtxsid: DTXSID00948695
formula: C32H44P
inchikey: FUMBGFNGBMYHGH-UHFFFAOYSA-M
norman_susdat_id: NS00047638
pubchem_cid: 3084442
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCCCCCC
inchi:
InChI=1/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1


name: Pelitinib | Ekb-568
cas: 257933-82-7
chebiid: CHEBI:38927
dtxsid: DTXSID90870294
formula: C24H23ClFN5O2
inchikey: WVUNYSQLFKLYNI-AATRIKPKSA-N
norman_susdat_id: NS00068368
pubchem_cid: 6445562
smiles: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
inchi:
InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+


cas: 25797-81-3
formula: C24H23N3O8S2.Na
inchikey: MHHGZCMFNNAVCQ-UHFFFAOYSA-M
norman_susdat_id: NS00082774
smiles: Cc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc(c1C)S(=O)(=O)NCCO
name:
Sodium 1-amino-9,10-dihydro-4-[5-[(2-hydroxyethyl)sulphamoyl]-3,4-xylidino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C24H23N3O8S2.Na/c1-12-9-14(10-18(13(12)2)36(31,32)26-7-8-28)27-17-11-19(37(33,34)35)22(25)21-20(17)23(29)15-5-3-4-6-16(15)24(21)30;/h3-6,9-11,26-28H,7-8,25H2,1-2H3,(H,33,34,35);/q;+1/p-1/rC24H22N3NaO8S2/c1-12-9-14(10-18(13(12)2)37(32,33)26-7-8-29)27-17-11-19(38(34,35)36-28)22(25)21-20(17)23(30)15-5-3-4-6-16(15)24(21)31/h3-6,9-11,26-27,29H,7-8,25H2,1-2H3


name: Basic Blue 26
cas: 2580-56-5
chemspiderid: 14677351
dtxsid: DTXSID0038889
formula: C33H33N3
inchikey: QGPYKXSNVDBGMI-UHFFFAOYSA-N
norman_susdat_id: NS00013508
pubchem_cid: 20027133
smiles: [Cl-].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(Nc4ccccc4)c5ccccc35
inchi:
InChI=1S/C33H32N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h5-23,34H,1-4H3;1H/q+1;/p-1


cas: 2580-78-1
inchikey: KUIXZSYWBHSYCN-UHFFFAOYSA-L
norman_susdat_id: NS00078248
smiles: [Na+].[Na+].Nc1c(cc(Nc2cccc(c2)S(=O)(=O)CCOS([O-])(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
name:
2-(3-(4-amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)aminobenzenesulphonyl)vinyl) disodium sulphate


name: Tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid
cas: 25800-63-9
dtxsid: DTXSID50948706
formula: C20H34O2
inchikey: YPGLTKHJEQHKSS-UHFFFAOYSA-N
norman_susdat_id: NS00048398
pubchem_cid: 95347
smiles: O=C(O)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C
inchi:
InChI=1/C20H34O2/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/h13-17H,5-12H2,1-4H3,(H,21,22)


name: Clometacine
cas: 25803-14-9
chebiid: CHEBI:135512
chemspiderid: 30657
dtxsid: DTXSID7048827
formula: C19H16Cl1N1O4
inchikey: DGMZLCLHHVYDIS-UHFFFAOYSA-N
norman_susdat_id: NS00027968
pubchem_cid: 33176
smiles: COc1cc2c(cc1)c(C(=O)c1ccc(Cl)cc1)c(C)n2CC(=O)O
inchi:
InChI=1S/C19H16ClNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)


name: Indole-1-acetic acid, 3-(p-fluorobenzoyl)-6-methoxy-2-methyl-
cas: 25803-21-8
chemspiderid: 30658
dtxsid: DTXSID50180462
formula: C19H16F1N1O4
inchikey: NSNZBVZOKLXXFU-UHFFFAOYSA-N
norman_susdat_id: NS00006821
pubchem_cid: 33177
smiles: COc1ccc2c(C(=O)c3ccc(F)cc3)c(C)n(CC(O)=O)c2c1
inchi:
InChI=1S/C19H16FNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)


name: Trisodium 2,4-dihydroxy-3,5-bis[(4-sulphonatophenyl)azo]benzenesulphonate
cas: 25807-51-6
formula: C18H14N4O11S3
inchikey: DFMOHCXRLKRLHB-UHFFFAOYSA-K
norman_susdat_id: NS00048974
pubchem_cid: 101586651
inchi:
InChI=1/C18H14N4O11S3.3Na/c23-17-14(21-19-10-1-5-12(6-2-10)34(25,26)27)9-15(36(31,32)33)18(24)16(17)22-20-11-3-7-13(8-4-11)35(28,29)30;;;/h1-9,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(C(O)=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])C=C1


name: Zinc 2-butyloctyl phosphate
cas: 25807-71-0
dtxsid: DTXSID00948711
formula: C12H27O4P
inchikey: CYNFVQATCBZAKL-UHFFFAOYSA-L
norman_susdat_id: NS00048399
pubchem_cid: 11970424
smiles: [Zn+2].O=P([O-])([O-])OCC(CCCC)CCCCCC
inchi:
InChI=1/C12H27O4P.Zn/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15;/h12H,3-11H2,1-2H3,(H2,13,14,15);/q;+2/p-2


name: Sodium 3-[(1,4,5,6-tetrahydro-4,6-dioxo-1,3,5-triazin-2-yl)amino]benzenesulphonate
cas: 25807-84-5
dtxsid: DTXSID30180465
formula: C9H8N4O5S
inchikey: DXLCIPHFNVADAF-UHFFFAOYSA-M
norman_susdat_id: NS00047639
pubchem_cid: NA
smiles: [Na+].O=C1N=C(NC(=O)N1)NC2=CC=CC(=C2)S(=O)(=O)[O-]
inchi:
InChI=1/C9H8N4O5S.Na/c14-8-11-7(12-9(15)13-8)10-5-2-1-3-6(4-5)19(16,17)18;/h1-4H,(H,16,17,18)(H3,10,11,12,13,14,15);/q;+1/p-1


name: Benzenamine, 4-[(4-nitrophenyl)azo]-N-phenyl-
cas: 2581-69-3
chemspiderid: 16477
dtxsid: DTXSID7062536
formula: C18H14N4O2
inchikey: YFVXLROHJBSEDW-UHFFFAOYSA-N
norman_susdat_id: NS00020617
pubchem_cid: 17414
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H/b21-20+


name: 2,2-Bis(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
cas: 25811-35-2
chemspiderid: 105130
dtxsid: DTXSID50180467
formula: C33H60O8
inchikey: NCGQPNAQUYGWMI-UHFFFAOYSA-N
norman_susdat_id: NS00002020
pubchem_cid: 117642
smiles: CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC
inchi:
InChI=1S/C33H60O8/c1-5-9-13-17-21-29(34)38-25-33(26-39-30(35)22-18-14-10-6-2,27-40-31(36)23-19-15-11-7-3)28-41-32(37)24-20-16-12-8-4/h5-28H2,1-4H3


name: Diethyl (4-amino-3-chlorophenyl)methylmalonate
cas: 25814-36-2
chemspiderid: 82535
dtxsid: DTXSID80180470
formula: C14H18Cl1N1O4
inchikey: AGTISSMCQXEKEI-UHFFFAOYSA-N
norman_susdat_id: NS00027973
pubchem_cid: 117643
smiles: CCOC(=O)C(Cc1cc(Cl)c(N)cc1)C(=O)OCC
inchi:
InChI=1S/C14H18ClNO4/c1-3-19-13(17)10(14(18)20-4-2)7-9-5-6-12(16)11(15)8-9/h5-6,8,10H,3-4,7,16H2,1-2H3


name: N-Butoxy-4-methoxynaphthoimide
cas: 25826-31-7
chemspiderid: 105132
dtxsid: DTXSID60180478
formula: C17H17N1O4
inchikey: AABXRMHVHPQKKP-UHFFFAOYSA-N
norman_susdat_id: NS00027975
pubchem_cid: 117644
smiles: CCCCOn1c(=O)c2ccc(OC)c3cccc(c1=O)c23
inchi:
InChI=1S/C17H17NO4/c1-3-4-10-22-18-16(19)12-7-5-6-11-14(21-2)9-8-13(15(11)12)17(18)20/h5-9H,3-4,10H2,1-2H3


cas: 25826-34-0
formula: C41H28N4O10S2.2Na
inchikey: RISWUWJFSHOUBJ-UHFFFAOYSA-L
norman_susdat_id: NS00083410
name:
Disodium 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]

inchi:
InChI=1/C41H28N4O10S2.2Na/c42-36-30(56(50,51)52)18-28(32-34(36)40(48)26-7-3-1-5-24(26)38(32)46)44-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)45-29-19-31(57(53,54)55)37(43)35-33(29)39(47)25-6-2-4-8-27(25)41(35)49;;/h1-16,18-19,44-45H,17,42-43H2,(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cc5ccc(Nc6cc(c(N)c7C(=O)c8ccccc8C(=O)c67)S(=O)(=O)[O-])cc5)cc4)cc1S(=O)(=O)[O-]


name: Disodium 2-[4-styryl-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-7-sulphonate
cas: 2583-80-4
dtxsid: DTXSID2062539
formula: C24H17N3O6S2
inchikey: OOGLKQUXARSVJQ-KMXZHCNGSA-L
norman_susdat_id: NS00045448
pubchem_cid: 20838658
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC3=NN(N=C32)C4=CC=C(C=CC=5C=CC=CC5)C(=C4)S(=O)(=O)[O-])=C1
inchi:
InChI=1/C24H17N3O6S2.2Na/c28-34(29,30)20-11-12-21-18(14-20)9-13-22-24(21)26-27(25-22)19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: 2-{3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl}-5-methyl-2h-1,2,3,4-tetrazole
cas: 258336-05-9
formula: C17H21N5O2
inchikey: DRCNRTRGWUYJBH-UHFFFAOYSA-N
norman_susdat_id: NS00070266
pubchem_cid: 448137
smiles: Cc1cc(CCCOc2c(C)cc(-n3nnc(C)n3)cc2C)on1
inchi:
InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3


name: 2,4-Bis(4-aminobenzyl)aniline
cas: 25834-80-4
chemspiderid: 30661
dtxsid: DTXSID8024606
formula: C20H21N3
inchikey: KKVLCJIOPNYOQN-UHFFFAOYSA-N
norman_susdat_id: NS00027977
pubchem_cid: 33182
smiles: Nc1ccc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)cc1
inchi:
InChI=1S/C20H21N3/c21-18-6-1-14(2-7-18)11-16-5-10-20(23)17(13-16)12-15-3-8-19(22)9-4-15/h1-10,13H,11-12,21-23H2


name: Diphenyl(2,4,6-trimethylphenyl)sulfonium perfluoro-1-octanesulfonate
cas: 258341-99-0
dtxsid: DTXSID00893373
formula: C29H21F17O3S2
inchikey: YMJXZEIVAYQAPQ-UHFFFAOYSA-M
norman_susdat_id: NS00108940
inchi:
InChI=1S/C21H21S.C8HF17O3S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;9-1(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/h4-15H,1-3H3;(H,26,27,28)/q+1;/p-1

smiles:
CC1=CC(C)=C([S+](C2=CC=CC=C2)C2=CC=CC=C2)C(C)=C1.[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


name: Benzoic acid, 3,3'-[carbonylbis(imino-4,1-phenyleneazo)]bis[6-hydroxy-
cas: 25849-26-7
chemspiderid: 4583619
dtxsid: DTXSID8067155
formula: C27H20N6O7
inchikey: RGFYLWOAVUGTJI-UHFFFAOYSA-N
norman_susdat_id: NS00027979
pubchem_cid: NA
smiles: OC(=O)C1=CC(=CC=C1O)N=NC1=CC=C(NC(=O)NC2=CC=C(C=C2)N=NC2=CC=C(O)C(=C2)C(O)=O)C=C1
inchi:
InChI=1S/C27H20N6O7/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)/b32-30+,33-31+


name: Fospropofol
cas: 258516-89-1
chebiid: CHEBI:135193
dtxsid: DTXSID50870295
formula: C13H21O5P
inchikey: QVNNONOFASOXQV-UHFFFAOYSA-N
norman_susdat_id: NS00068000
smiles: CC(C)C1=CC=CC(C(C)C)=C1OCOP(O)(O)=O
inchi:
InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)


cas: 25852-38-4
dtxsid: DTXSID6094196
norman_susdat_id: NS00113484
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with butyl 2-propenoate, ethenylbenzene and 2-propenenitrile


cas: 25852-47-5
formula: C8H10O3
norman_susdat_id: NS00101570
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-[(2-methyl-1-oxo-2-propenyl)oxy]-


name: Triisooctyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate
cas: 25852-70-4
dtxsid: DTXSID6024703
formula: C34H66O6S3Sn
inchikey: BEFRKDFWQCSRJO-UHFFFAOYSA-K
norman_susdat_id: NS00048408
pubchem_cid: 14029259
smiles: O=C(OCCCCCC(C)C)CS[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)CCCC
inchi:
InChI=1/3C10H20O2S.C4H9.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-9-25-44(41-26-32(35)38-22-16-10-13-19-29(2)3,42-27-33(36)39-23-17-11-14-20-30(4)5)43-28-34(37)40-24-18-12-15-21-31(6)7/h29-31H,8-28H2,1-7H3


name: 1,1'-isosebacoylbis(2-ethylaziridine)
cas: 25853-47-8
dtxsid: DTXSID70948748
formula: C18H32N2O2
inchikey: AHHONKNNDPIASR-UHFFFAOYSA-N
norman_susdat_id: NS00049031
pubchem_cid: 117281
smiles: O=C(N1CC1CC)CCCCCCCCC(=O)N2CC2CC
inchi:
InChI=1/C18H32N2O2/c1-3-15-13-19(15)17(21)11-9-7-5-6-8-10-12-18(22)20-14-16(20)4-2/h15-16H,3-14H2,1-2H3


name: Bis[2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl] adipate
cas: 25857-05-0
dtxsid: DTXSID00891157
formula: C36H40N6O4
inchikey: PDOOQWTZCPNMLF-UHFFFAOYSA-N
norman_susdat_id: NS00047697
pubchem_cid: 14693645
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CCOC(=O)CCCCC(=O)OCCN(C2=CC=C(C=C(C#N)C#N)C(=C2)C)CC
inchi:
InChI=1/C36H40N6O4/c1-5-41(33-13-11-31(27(3)19-33)21-29(23-37)24-38)15-17-45-35(43)9-7-8-10-36(44)46-18-16-42(6-2)34-14-12-32(28(4)20-34)22-30(25-39)26-40/h11-14,19-22H,5-10,15-18H2,1-4H3


name: 4-Piperidinecarbonitrile, 3-methyl-1-((4-methylphenyl)sulfonyl)-4-phenyl-, (3R,4S)-rel-
cas: 25858-24-6
chemspiderid: 135929
dtxsid: DTXSID90180507
formula: C20H22N2O2S1
inchikey: XFZXKHZEHPBOOY-PXNSSMCTSA-N
norman_susdat_id: NS00004556
pubchem_cid: 154266
smiles: C[C@H]1CN(CC[C@@]1(C#N)c1ccccc1)S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C20H22N2O2S/c1-16-8-10-19(11-9-16)25(23,24)22-13-12-20(15-21,17(2)14-22)18-6-4-3-5-7-18/h3-11,17H,12-14H2,1-2H3/t17-,20-/m0/s1


cas: 2586-57-4
dtxsid: DTXSID80889456
formula: C34H27N5O10S2
inchikey: BVHYUJFYDASOKR-UHFFFAOYSA-L
norman_susdat_id: NS00046166
pubchem_cid: 408904
name:
Disodium 4-amino-5-hydroxy-6-[[4'-[(2-hydroxy-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C34H27N5O10S2.2Na/c1-48-27-15-19(20-8-12-24(28(16-20)49-2)37-39-33-21-6-4-3-5-18(21)9-14-26(33)40)7-11-23(27)36-38-25-13-10-22-29(50(42,43)44)17-30(51(45,46)47)32(35)31(22)34(25)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=C2C=CC(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC5=C(O)C=CC=6C=CC=CC65)C(OC)=C4)=C(O)C2=C1N)S(=O)(=O)[O-]


cas: 2586-58-5
dtxsid: DTXSID3036818
formula: C32H26N8O6S
inchikey: LQLLXIYULIMXDU-UHFFFAOYSA-L
norman_susdat_id: NS00046720
pubchem_cid: NA
name:
Disodium 5-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C32H26N8O6S.2Na/c1-18-16-27(39-36-23-10-13-25(14-11-23)47(44,45)46)30(34)31(29(18)33)40-37-22-8-4-20(5-9-22)19-2-6-21(7-3-19)35-38-24-12-15-28(41)26(17-24)32(42)43;;/h2-17,41H,33-34H2,1H3,(H,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C(N)=C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C=C(C4N)C)C=C3)=CC=C1O


name: Lycaconitine
cas: 25867-19-0
chebiid: CHEBI:6587
chemspiderid: 441745
formula: C36H48N2O10
inchikey: KFXVNXQXPRPLQA-CPIHIRBUSA-N
norman_susdat_id: NS00094350
pubchem_cid: 390347
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CCC8=O


cas: 2587-59-9
formula: C27H18Cl2N6O11S3
inchikey: VMNABUGNNFMZAK-UHFFFAOYSA-K
norman_susdat_id: NS00046721
pubchem_cid: 6451418
name:
Trisodium 7-[[2-(acetylamino)-4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C27H18Cl2N6O11S3.3Na/c1-12(36)30-21-9-15(31-27(37)13-2-4-18-20(7-13)33-26(29)25(28)32-18)3-5-19(21)34-35-22-11-17-14(8-24(22)49(44,45)46)6-16(47(38,39)40)10-23(17)48(41,42)43;;;/h2-11H,1H3,(H,30,36)(H,31,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C(=C1)NC(=O)C)C=4C=CC5=NC(Cl)=C(Cl)N=C5C4


name: Chlorotrioctylstannane
cas: 2587-76-0
dtxsid: DTXSID3029657
formula: C24H51ClSn
inchikey: MCNGJXAXOJDJKO-UHFFFAOYSA-M
norman_susdat_id: NS00046722
pubchem_cid: NA
smiles: Cl[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/3C8H17.ClH.Sn/c3*1-3-5-7-8-6-4-2;;/h3*1,3-8H2,2H3;1H;/q;;;;+1/p-1/rC24H51ClSn/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3


name: Acetoxytributylplumbane
cas: 2587-82-8
formula: C14H30O2Pb
inchikey: LMDKALUFKHCRFQ-UHFFFAOYSA-M
norman_susdat_id: NS00081847
smiles: CCCC[Pb](CCCC)(CCCC)OC(=O)C
inchi:
InChI=1/3C4H9.C2H4O2.Pb/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC14H30O2Pb/c1-5-8-11-17(12-9-6-2,13-10-7-3)16-14(4)15/h5-13H2,1-4H3


name: Robenidine hydrochloride
cas: 25875-50-7
formula: C15H13Cl2N5.ClH
inchikey: LTWIBTYLSRDGHP-UHFFFAOYSA-N
norman_susdat_id: NS00082790
smiles: Cl.Clc2ccc(C=NNC(=N)NN=Cc1ccc(Cl)cc1)cc2
inchi:
InChI=1/C15H13Cl2N5.ClH/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12;/h1-10H,(H3,18,21,22);1H


name: Robenidine
cas: 25875-51-8
chemspiderid: 7844905
dtxsid: DTXSID9046813
formula: C15H13Cl2N5
inchikey: MOOFYEJFXBSZGE-LQGKIZFRSA-N
norman_susdat_id: NS00000015
pubchem_cid: 51854790
smiles: C1=CC(=CC=C1/C=N/NC(=N)N/N=C/C2=CC=C(C=C2)Cl)Cl
inchi:
InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+


name: Gentamicin C1
cas: 25876-10-2
dtxsid: DTXSID9023091
formula: C21H43N5O7
inchikey: CEAZRRDELHUEMR-CAMVTXANSA-N
norman_susdat_id: NS00093649
inchi:
InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3/t9-,10-,11+,12-,13+,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1

smiles:
CN[C@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1


name: Gentamicin C2
cas: 25876-11-3
chemspiderid: 4447617
dtxsid: DTXSID9023093
formula: C20H41N5O7
inchikey: XUFIWSHGXVLULG-IBLUXPFWSA-N
norman_susdat_id: NS00011550
pubchem_cid: 5284563
inchi:
InChI=1S/C20H41N5O7/c1-8(21)12-5-4-9(22)18(30-12)31-15-10(23)6-11(24)16(13(15)26)32-19-14(27)17(25-3)20(2,28)7-29-19/h8-19,25-28H,4-7,21-24H2,1-3H3/t8?,9-,10+,11-,12+,13+,14-,15-,16+,17-,18-,19-,20+/m1/s1

smiles:
CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N


name: 3,3'-(3H-2,1-Benzooxathiol-3-ylidene)bis(6-hydroxy-5-methylbenzoicacid) S,S-dioxide
cas: 2588-24-1
chemspiderid: 68273
dtxsid: DTXSID50180523
formula: C23H18O9S1
inchikey: LGKSNCHFKPHIJM-UHFFFAOYSA-N
norman_susdat_id: NS00021953
pubchem_cid: 75762
smiles: Cc1c(O)c(cc(c1)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(c1)C(=O)O)C(=O)O
inchi:
InChI=1S/C23H18O9S/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29)


name: Lauric acid monoethanolamide sulfosuccinic acid monoester disodium salt
cas: 25882-44-4
chemspiderid: 104808
dtxsid: DTXSID50893469
formula: C18H33N1O8S1
inchikey: YLOYZOWOIITCGD-UHFFFAOYSA-N
norman_susdat_id: NS00013619
pubchem_cid: 117283
smiles: [Na+].[Na+].CCCCCCCCCCCC(=O)NCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2


name: 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propylammonium chloride
cas: 25887-71-2
dtxsid: DTXSID30948789
formula: C18H19N
inchikey: ZNWIJGWRFQGTGJ-UHFFFAOYSA-N
norman_susdat_id: NS00048460
pubchem_cid: 160755
smiles: [Cl-].C=1C=CC2=C(C1)C(=CCC[NH3+])C=3C=CC=CC3CC2
inchi:
InChI=1/C18H19N.ClH/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18;/h1-4,6-10H,5,11-13,19H2;1H


name: Prajmalium bitartrate
cas: 2589-47-1
formula: C23H33N2O2.C4H5O6
inchikey: VZAUGYDMVQSQAO-NHKMMWDGSA-M
norman_susdat_id: NS00081863
inchi:
InChI=1/C23H33N2O2.C4H6O6/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23;5-1(3(7)8)2(6)4(9)10/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1

smiles:
CCC[N+]12[C@H](O)[C@@H](CC)[C@@H]3C[C@H]1[C@@H]4N(C)c5ccccc5[C@]46C[C@H]2C3[C@H]6O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O


cas: 2589-61-9
dtxsid: DTXSID00948796
formula: C36H56N2O5S
inchikey: CNUNRODPBYAPLJ-UHFFFAOYSA-N
norman_susdat_id: NS00046128
pubchem_cid: 21115393
smiles: O=C(NC1=CC=C2C(=C1O)CCCC2)C3=CC(=CC=C3N(C)CCCCCCCCCCCCCCCCCC)S(=O)(=O)O
name:
4-(methyloctadecylamino)-3-[(5,6,7,8-tetrahydro-1-hydroxy-2-naphthyl)carbamoyl]benzenesulphonic acid

inchi:
InChI=1/C36H56N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-38(2)34-26-24-30(44(41,42)43)28-32(34)36(40)37-33-25-23-29-21-18-19-22-31(29)35(33)39/h23-26,28,39H,3-22,27H2,1-2H3,(H,37,40)(H,41,42,43)


name: Phenol, 4-hexadecyl-
cas: 2589-78-8
chemspiderid: 68279
dtxsid: DTXSID6062543
formula: C22H38O1
inchikey: MHCHQNXRVNQPHJ-UHFFFAOYSA-N
norman_susdat_id: NS00027989
pubchem_cid: 75768
smiles: CCCCCCCCCCCCCCCCc1ccc(O)cc1
inchi:
InChI=1S/C22H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(23)20-18-21/h17-20,23H,2-16H2,1H3


name: N-(Phenyloctadecyl)propane-1,3-diamine
cas: 25897-00-1
chemspiderid: 104736
dtxsid: DTXSID20180550
formula: C27H50N2
inchikey: NVJAPXJEDPZOCC-UHFFFAOYSA-N
norman_susdat_id: NS00027986
pubchem_cid: 117655
smiles: NCCCNCCCCCCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C27H50N2/c28-24-20-26-29-25-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-21-27-22-17-15-18-23-27/h15,17-18,22-23,29H,1-14,16,19-21,24-26,28H2


cas: 25904-59-0
formula: C28H24ClN7O10S3
inchikey: HHEHNPKXBAGJBB-UHFFFAOYSA-K
norman_susdat_id: NS00050868
pubchem_cid: 11970428
name:
Trisodium 3-[[4-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C28H24ClN7O10S3.3Na/c1-16-11-22(30-27-31-26(29)32-28(33-27)36(15-47(37,38)39)18-7-4-3-5-8-18)23(46-2)14-21(16)35-34-17-12-20-19(25(13-17)49(43,44)45)9-6-10-24(20)48(40,41)42;;;/h3-14H,15H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC=3C=C(OC)C(=CC3C)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-])=CC2S(=O)(=O)[O-]


name: N,N'-(4,8-Dibromo-9,10-dihydro-9,10-dioxo-1,5-anthracene-diyl)bisacetamide
cas: 25907-77-1
chemspiderid: 105147
dtxsid: DTXSID80180576
formula: C18H12Br2N2O4
inchikey: DORCRAXPUWOWPM-UHFFFAOYSA-N
norman_susdat_id: NS00027991
pubchem_cid: 117660
smiles: CC(=O)Nc1ccc(Br)c2c1C(=O)c1c(Br)ccc(NC(=O)C)c1C2=O
inchi:
InChI=1S/C18H12Br2N2O4/c1-7(23)21-11-5-3-9(19)13-15(11)17(25)14-10(20)4-6-12(22-8(2)24)16(14)18(13)26/h3-6H,1-2H3,(H,21,23)(H,22,24)


name: 6-ethoxy-1-methyl-2-(3-nitrostyryl)quinolinium methyl sulphate
cas: 25910-85-4
dtxsid: DTXSID1051933
formula: C20H20N2O3
inchikey: ZXQHSPWBYMLHLB-BXTVWIJMSA-M
norman_susdat_id: NS00050910
pubchem_cid: 6438045
smiles: O=[N+]([O-])C=1C=CC=C(C=CC=2C=CC3=CC(OCC)=CC=C3[N+]2C)C1.O=S(=O)([O-])OC
inchi:
InChI=1/C20H19N2O3.CH4O4S/c1-3-25-19-11-12-20-16(14-19)8-10-17(21(20)2)9-7-15-5-4-6-18(13-15)22(23)24;1-5-6(2,3)4/h4-14H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-Amino-9,10-dihydro-9,10-dioxo-4-p-toluidinoanthracene-2-sulphonic acid
cas: 25912-94-1
chemspiderid: 105034
dtxsid: DTXSID30180586
formula: C21H16N2O5S1
inchikey: BSXYUOSITLGJAD-UHFFFAOYSA-N
norman_susdat_id: NS00027993
pubchem_cid: 117532
smiles: Cc1ccc(Nc2cc(c(N)c3c2C(=O)c2ccccc2C3=O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C21H16N2O5S/c1-11-6-8-12(9-7-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)


name: Sucrose dilaurate
cas: 25915-57-5
chemspiderid: 4588438
dtxsid: DTXSID20180590
formula: C36H66O13
inchikey: BMHNFXNMWLKAIM-UHFFFAOYSA-N
norman_susdat_id: NS00014136
pubchem_cid: NA
inchi:
InChI=1S/C36H66O13/c1-3-5-7-9-11-13-15-17-19-21-28(40)46-34-32(44)30(42)26(23-37)48-36(34,35(25-39)33(45)31(43)27(24-38)47-35)49-29(41)22-20-18-16-14-12-10-8-6-4-2/h26-27,30-34,37-39,42-45H,3-25H2,1-2H3/t26-,27-,30-,31-,32+,33+,34-,35+,36+/m1/s1

smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(OC(=O)CCCCCCCCCCC)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O


cas: 259152-52-8
dtxsid: DTXSID50883027
norman_susdat_id: NS00110668
name:
Poly(1,1-difluoroethylene/1,1,3,3,3-pentafluoropropene/tetrafluoroethylene/trifluoromethyl trifluorovinyl ether)


name: Rebimastat
cas: 259188-38-0
formula: C23H41N5O5S
inchikey: GTXSRFUZSLTDFX-HRCADAONSA-N
norman_susdat_id: NS00069621
pubchem_cid: 9913881
smiles: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](S)CCN1C(=O)N(C)C(C)(C)C1=O)C(C)(C)C
inchi:
InChI=1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1


name: 4-nitrophenyl N2,N6-bis[(1,1-dimethylethoxy)carbonyl]-L-lysinate
cas: 2592-19-0
dtxsid: DTXSID00948837
formula: C22H34N3O8
inchikey: LYUXBTAUKJETMS-KRWDZBQOSA-N
norman_susdat_id: NS00046130
pubchem_cid: 13455305
smiles: O=C(OC(C)(C)C)NCCCCC(NC(=O)OC(C)(C)C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H33N3O8/c1-21(2,3)32-19(27)23-14-8-7-9-17(24-20(28)33-22(4,5)6)18(26)31-16-12-10-15(11-13-16)25(29)30/h10-13,17H,7-9,14H2,1-6H3,(H,23,27)(H,24,28)


name: 2-[(2-methoxyphenoxy)carbonyl]phenyl nicotinate
cas: 25923-90-4
dtxsid: DTXSID60948838
formula: C20H15NO5
inchikey: AGOSKLDLMXRQQO-UHFFFAOYSA-N
norman_susdat_id: NS00050911
pubchem_cid: 308236
smiles: O=C(OC=1C=CC=CC1C(=O)OC=2C=CC=CC2OC)C=3C=NC=CC3
inchi:
InChI=1/C20H15NO5/c1-24-17-10-4-5-11-18(17)26-20(23)15-8-2-3-9-16(15)25-19(22)14-7-6-12-21-13-14/h2-13H,1H3


cas: 25926-16-3
formula: C23H14Cl2N6O10S3
inchikey: OOLXNSHBCINPEZ-UHFFFAOYSA-N
norman_susdat_id: NS00050452
pubchem_cid: 117670
name:
5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C23H14Cl2N6O10S3/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29)

smiles:
O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)O)=C(O)C2C(=C1)NC=5N=C(Cl)N=C(Cl)N5)S(=O)(=O)O


name: 2-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonic acid
cas: 25926-45-8
formula: C16H11N3O7S
inchikey: DGHYCCNYKZSGDB-UHFFFAOYSA-N
norman_susdat_id: NS00084473
smiles: Oc3c(cc(cc3N=Nc1c2ccccc2ccc1O)[N+]([O-])=O)S(O)(=O)=O
inchi:
InChI=1/C16H11N3O7S/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26/h1-8,20-21H,(H,24,25,26)


name: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)pyridinium iodide
cas: 25935-14-2
formula: C15H9F17N.I
inchikey: ZRODNZIFNOYXDA-UHFFFAOYSA-M
norman_susdat_id: NS00084474
smiles: [I-].FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[n+]1ccccc1
inchi:
InChI=1/C15H9F17N.HI/c16-8(17,4-7-33-5-2-1-3-6-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h1-3,5-6H,4,7H2;1H/q+1;/p-1


name: Sodium o-[bis(3,5-dichloro-2-hydroxyphenyl)methyl]benzenesulphonate
cas: 25942-40-9
dtxsid: DTXSID90180608
formula: C19H12Cl4O5S
inchikey: HNTNBFWCACDSSS-UHFFFAOYSA-M
norman_susdat_id: NS00050453
pubchem_cid: 3015252
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1C(C=2C=C(Cl)C=C(Cl)C2O)C=3C=C(Cl)C=C(Cl)C3O
inchi:
InChI=1/C19H12Cl4O5S.Na/c20-9-5-12(18(24)14(22)7-9)17(13-6-10(21)8-15(23)19(13)25)11-3-1-2-4-16(11)29(26,27)28;/h1-8,17,24-25H,(H,26,27,28);/q;+1/p-1


cas: 259-44-4
formula: C34H28N6O16S4.4Na
inchikey: BPHHNXJPFPEJOF-UHFFFAOYSA-J
norman_susdat_id: NS00081908
name:
Tetrasodium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]

inchi:
InChI=1/C34H28N6O16S4.4Na/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(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+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6


name: Name confidential or not available_21954
cas: 2595-26-8
chemspiderid: 7838055
formula: C8H18N8O4
inchikey: XZYSXTRIDCPTPX-ICKDMQSESA-N
norman_susdat_id: NS00021954
pubchem_cid: 9561842
smiles: O=S(=O)(O)O.OCC(O)C(O)C(O)C(=NN=C(/N)N)C=NN=C(/N)N
inchi:
InChI=1S/C8H18N8O4/c9-7(10)15-13-1-3(14-16-8(11)12)5(19)6(20)4(18)2-17/h1,4-6,17-20H,2H2,(H4,9,10,15)(H4,11,12,16)/b13-1+,14-3+/t4-,5-,6+/m0/s1


name: 4-(4-Fluorophenyl)-2-methyl-6-{[5-(piperidin-1-yl)pentyl]oxy}pyrimidine
cas: 259525-01-4
dtxsid: DTXSID30948865
formula: C21H28FN3O
inchikey: SZSHJTJCJOWMHM-UHFFFAOYSA-N
norman_susdat_id: NS00068620
smiles: Cc1nc(OCCCCCN2CCCCC2)cc(-c2ccc(F)cc2)n1
inchi:
InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3


name: minaprine
cas: 25953-17-7
chebiid: CHEBI:51038
chemspiderid: 4054
formula: C17H22N4O1
inchikey: LDMWSLGGVTVJPG-UHFFFAOYSA-N
norman_susdat_id: NS00003076
pubchem_cid: 4199
smiles: Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
inchi:
InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)


name: Cefazolin
cas: 25953-19-9
chebiid: CHEBI:94418
chemspiderid: 2519
dtxsid: DTXSID2022753
formula: C14H14N8O4S3
inchikey: MLYYVTUWGNIJIB-UHFFFAOYSA-N
norman_susdat_id: NS00007794
pubchem_cid: 2618
smiles: Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1
inchi:
InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)


name: O-ß-D-glucopyranosyl-(1<U+2192>6)-ß-D-fructofuranosyl-a-D-glucopyranoside
cas: 25954-44-3
formula: C18H32O16
inchikey: MUPFEKGTMRGPLJ-UHFFFAOYSA-N
norman_susdat_id: NS00084165
smiles: OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2


name: Bufa-4,20,22-trienolide, 3-[(6-deoxy-a-l-mannopyranosyl)oxy]-14-hydroxy-19-oxo-, (3ß)-
cas: 25955-03-7
formula: C30H40O9
inchikey: KRRRXGPOQIUVMH-QEOBHVBUSA-N
norman_susdat_id: NS00050468
pubchem_cid: 92029204
smiles: O=CC12C(=CC(OC3OC(C)C(O)C(O)C3O)CC1)CCC4C2CCC5(C)C(C6=COC(=O)C=C6)CCC45O
inchi:
InChI=1/C30H40O9/c1-16-24(33)25(34)26(35)27(38-16)39-19-7-11-29(15-31)18(13-19)4-5-22-21(29)8-10-28(2)20(9-12-30(22,28)36)17-3-6-23(32)37-14-17/h3,6,13-16,19-22,24-27,33-36H,4-5,7-12H2,1-2H3


name: Dibutylbis(nonanoyloxy)stannane
cas: 25955-19-5
dtxsid: DTXSID30180622
formula: C26H52O4Sn
inchikey: BUOWPYZXTGPJFS-UHFFFAOYSA-L
norman_susdat_id: NS00050912
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCC)(CCCC)CCCC)CCCCCCCC
inchi:
InChI=1/2C9H18O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;2*1-3-4-2;/h2*2-8H2,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-5-9-13-15-17-19-21-25(27)29-31(23-11-7-3,24-12-8-4)30-26(28)22-20-18-16-14-10-6-2/h5-24H2,1-4H3


name: Allura Red C.I.16035
cas: 25956-17-6
chebiid: CHEBI:172687
dtxsid: DTXSID4024436
formula: C18H16N2O8S2
inchikey: CEZCCHQBSQPRMU-LLIZZRELSA-L
norman_susdat_id: NS00050913
pubchem_cid: 135802005
smiles: [Na+].[Na+].COC1=C(C=C(C)C(=C1)S([O-])(=O)=O)\N=N\C1=C2C=CC(=CC2=CC=C1O)S([O-])(=O)=O
inchi:
InChI=InChI=1S/C18H16N2O8S2.2Na/c1-10-7-14(16(28-2)9-17(10)30(25,26)27)19-20-18-13-5-4-12(29(22,23)24)8-11(13)3-6-15(18)21;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;;


cas: 25956-35-8
chemspiderid: 2283425
dtxsid: DTXSID90180623
formula: C21H17N3O8S2
inchikey: QESOMBMPKAMMLJ-UHFFFAOYSA-N
norman_susdat_id: NS00028001
pubchem_cid: 3015253
smiles: Cc1c(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)O)cc(cc1N)S(=O)(=O)O
name:
1-Amino-4-((3-amino-2-methyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C21H17N3O8S2/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)


cas: 259-60-4
chebiid: CHEBI:88279
formula: C45H32N10O21S6.6Na
inchikey: YIQKLZYTHXTDDT-UHFFFAOYSA-H
norman_susdat_id: NS00081909
name:
Hexasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C45H32N10O21S6.6Na/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64;;;;;;/h1-22,56-57H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc8ccc(N=Nc3c(cc2cc(ccc2c3O)NC(=O)Nc4ccc7c(c4)cc(c(N=Nc6ccc(N=Nc5ccc(cc5)S([O-])(=O)=O)cc6S([O-])(=O)=O)c7O)S([O-])(=O)=O)S([O-])(=O)=O)c(c8)S([O-])(=O)=O


name: 3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thioxo-
cas: 25962-03-2
chemspiderid: 4942554
dtxsid: DTXSID7067162
formula: C16H14N2O3S3
inchikey: NVXMOCINNAPHSD-UHFFFAOYSA-N
norman_susdat_id: NS00028004
pubchem_cid: 117682
smiles: CCn1/c(=CC=C2/SC(=S)N(CC(=O)O)C2=O)/sc2ccccc12
inchi:
InChI=1S/C16H14N2O3S3/c1-2-17-10-5-3-4-6-11(10)23-13(17)8-7-12-15(21)18(9-14(19)20)16(22)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7-,13-8+


name: 4-Thiazolidinone, 3-ethyl-5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-2-thioxo-
cas: 25962-05-4
chemspiderid: 105166
dtxsid: DTXSID2067163
formula: C16H16N2O2S2
inchikey: YAORVROFPFPJJU-UHFFFAOYSA-N
norman_susdat_id: NS00028005
pubchem_cid: 117683
smiles: CCN1C(=S)S/C(=CC=c2/oc3c(cccc3)n2CC)/C1=O
inchi:
InChI=1S/C16H16N2O2S2/c1-3-17-11-7-5-6-8-12(11)20-14(17)10-9-13-15(19)18(4-2)16(21)22-13/h5-10H,3-4H2,1-2H3/b13-9-,14-10-


name: 4-Thiazolidinone, 5-(3-ethyl-2(3H)-benzoxazolylidene)-3-phenyl-2-thioxo-
cas: 25962-16-7
chemspiderid: 21173068
dtxsid: DTXSID2067165
formula: C18H14N2O2S2
inchikey: NZXOOVIFUOKSNY-UHFFFAOYSA-N
norman_susdat_id: NS00028007
pubchem_cid: 117685
smiles: CCn1/c(=C/2SC(=S)N(C2=O)c2ccccc2)/oc2c1cccc2
inchi:
InChI=1S/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3/b17-15+


cas: 25965-91-7
chemspiderid: 105169
dtxsid: DTXSID60180630
formula: C32H25Cl1N6O12S3
inchikey: QECGUTSSKABWFV-UHFFFAOYSA-N
norman_susdat_id: NS00028009
pubchem_cid: 117687
name:
1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C32H25ClN6O12S3/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39)

smiles:
Cc1c(Nc2nc(Cl)nc(Oc3ccc(cc3)S(=O)(=O)O)n2)c(C)c(c(C)c1Nc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(c1)S(=O)(=O)O)S(=O)(=O)O


name: (5a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one hydrochloride
cas: 25968-91-6
formula: C18H21NO3.ClH
inchikey: GCJAEXSZUXBMFS-RNWHKREASA-N
norman_susdat_id: NS00085007
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1H


cas: 259725-95-6
dtxsid: DTXSID20883079
norman_susdat_id: NS00109644
name:
Siloxanes and Silicones, di-Me, Me 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecyl-


name: 2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol
cas: 25973-55-1
chemspiderid: 30728
dtxsid: DTXSID2027886
formula: C22H29N3O1
inchikey: ZMWRRFHBXARRRT-UHFFFAOYSA-N
norman_susdat_id: NS00010624
pubchem_cid: 33263
smiles: CCC(C)(C)c1cc(c(O)c(c1)C(C)(C)CC)-n1nc2ccccc2n1
inchi:
InChI=1S/C22H29N3O/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25/h9-14,26H,7-8H2,1-6H3


name: 19-nor-5-androstenediol
cas: 25975-59-1
formula: C18H28O2
inchikey: VVUQRXPUVKXAIO-XFUVECHXSA-N
norman_susdat_id: NS00070565
pubchem_cid: 9900246
smiles: C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)CC4=CC[C@H]3[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1


name: Octadecyl hexadecanoate
cas: 2598-99-4
chebiid: CHEBI:84066
chemspiderid: 10427
dtxsid: DTXSID0026048
formula: C34H68O2
inchikey: BILPUZXRUDPOOF-UHFFFAOYSA-N
norman_susdat_id: NS00020618
pubchem_cid: 75778
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H68O2/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/h3-33H2,1-2H3


name: N-(2-hydroxybenzoyl)glycine, compound with 2,2'-iminobis(ethanol) (1:1)
cas: 25984-48-9
formula: C9H9NO4.C4H11NO2
inchikey: ROZLNCQRZMXRPQ-UHFFFAOYSA-N
norman_susdat_id: NS00084200
smiles: OCCNCCO.OC(=O)CNC(=O)c1ccccc1O
inchi:
InChI=1/C9H9NO4.C4H11NO2/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13;6-3-1-5-2-4-7/h1-4,11H,5H2,(H,10,14)(H,12,13);5-7H,1-4H2


name: 5-(4,5-Dihydro-5-oxo-3-((1-oxooctadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid
cas: 25985-53-9
chemspiderid: 105178
dtxsid: DTXSID50180649
formula: C33H47N3O6S1
inchikey: UYEZDWWGFYJUOF-UHFFFAOYSA-N
norman_susdat_id: NS00028014
pubchem_cid: 117697
smiles: CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)c1cc(c(Oc2ccccc2)cc1)S(=O)(=O)O
inchi:
InChI=1S/C33H47N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(37)34-31-26-33(38)36(35-31)27-23-24-29(30(25-27)43(39,40)41)42-28-20-17-16-18-21-28/h16-18,20-21,23-25H,2-15,19,22,26H2,1H3,(H,34,35,37)(H,39,40,41)


name: Acetamide, N-[2-[[2-bromo-6-(methylsulfonyl)-4-nitrophenyl]azo]-5-(diethylamino)phenyl]-
cas: 25986-44-1
chemspiderid: 105181
dtxsid: DTXSID1067172
formula: C19H22Br1N5O5S1
inchikey: GHZNIHNOUZAYQX-UHFFFAOYSA-N
norman_susdat_id: NS00028015
pubchem_cid: 117701
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Br)cc(cc1S(=O)(=O)C)[N+](=O)[O-]
inchi:
InChI=1S/C19H22BrN5O5S/c1-5-24(6-2)13-7-8-16(17(10-13)21-12(3)26)22-23-19-15(20)9-14(25(27)28)11-18(19)31(4,29)30/h7-11H,5-6H2,1-4H3,(H,21,26)/b23-22+


name: JWH-133
cas: 259869-55-1
chebiid: CHEBI:146243
chemspiderid: 3575478
dtxsid: DTXSID30426077
formula: C22H32O1
inchikey: YSBFLLZNALVODA-RBUKOAKNSA-N
norman_susdat_id: NS00017374
pubchem_cid: 6918505
smiles: CCCC(C)(C)C1=CC2=C(C=C1)C3CC(=CCC3C(O2)(C)C)C
inchi:
InChI=1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1


name: Hexadecyl myristate
cas: 2599-01-1
dtxsid: DTXSID1062546
formula: C30H60O2
inchikey: QAKXLTNAJLFSQC-UHFFFAOYSA-N
norman_susdat_id: NS00046785
pubchem_cid: 75779
smiles: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C30H60O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29-32-30(31)28-26-24-22-20-18-14-12-10-8-6-4-2/h3-29H2,1-2H3


name: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium hexafluorophosphate
cas: 2599-76-0
formula: C10H14N3O.F6P
inchikey: PUDYXBZJCHEODV-UHFFFAOYSA-N
norman_susdat_id: NS00081532
smiles: CCN(CCO)c1ccc(cc1)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C10H14N3O.F6P/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;1-7(2,3,4,5)6/h3-6,14H,2,7-8H2,1H3;/q+1;-1


cas: 2599-84-0
dtxsid: DTXSID50896511
formula: C11F22O3
inchikey: GKKVHBTVWDBEIN-UHFFFAOYSA-N
norman_susdat_id: NS00110801
smiles: FC(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
name:
1,1,1,2,2,3,3-Heptafluoro-3-{[1,1,1,2,3,3-hexafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propan-2-yl]oxy}propane

inchi:
InChI=1/C11F22O3/c12-1(13)2(14)34-10(30,31)4(17,7(22,23)24)36-11(32,33)5(18,8(25,26)27)35-9(28,29)3(15,16)6(19,20)21


name: Cantil
cas: 25990-43-6
dtxsid: DTXSID2046969
formula: C21H26NO3
inchikey: GKNPSSNBBWDAGH-IBGZPJMESA-N
norman_susdat_id: NS00068050
pubchem_cid: 13981865
smiles: C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
inchi:
InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1/t19-/m0/s1


name: 2,5,8,11,14,17,20,23,26-nonaoxaheptacosane
cas: 25990-94-7
dtxsid: DTXSID80180652
formula: C18H38O9
inchikey: HKKZPBCWTDFVFB-UHFFFAOYSA-N
norman_susdat_id: NS00050956
pubchem_cid: 117703
smiles: O(C)CCOCCOCCOCCOCCOCCOCCOCCOC
inchi:
InChI=1/C18H38O9/c1-19-3-5-21-7-9-23-11-13-25-15-17-27-18-16-26-14-12-24-10-8-22-6-4-20-2/h3-18H2,1-2H3


name: 6-bromo-2-naphthyl-a-D-galactopyranoside
cas: 25997-59-5
formula: C16H17BrO6
inchikey: JLFIEPGNBAAIBK-CWVYHPPDSA-N
norman_susdat_id: NS00050514
pubchem_cid: NA
smiles: [O-]C1OC(COBr)C(O)C(O)C1OC2=CC=CC=3C=CC=CC23
inchi:
InChI=1/C16H16BrO6/c17-21-8-12-13(18)14(19)15(16(20)23-12)22-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,18-19H,8H2/q-1


name: Lasalocid sodium
cas: 25999-20-6
chebiid: CHEBI:91848
dtxsid: DTXSID9045895
formula: C34H53NaO8
inchikey: RDHDUYAKDYQPEW-HWLWSTNVSA-M
norman_susdat_id: NS00084493
smiles: CCC(C1OC(CC)(CC1C)C2CCC(O)(CC)C(C)O2)C(=O)C(C)C(O)C(C)CCc3ccc(C)c(O)c3C(=O)O[Na]
inchi:
InChI=1S/C34H54O8.Na/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39;/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39);/q;+1/p-1/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+;/m1./s1


name: Lasalocid
cas: 25999-31-9
chebiid: CHEBI:92181
chemspiderid: 4514598
dtxsid: DTXSID9048485
formula: C34H54O8
inchikey: BBMULGJBVDDDNI-OWKLGTHSSA-N
norman_susdat_id: NS00011831
pubchem_cid: 5360807
inchi:
InChI=1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)/t19-,21+,22+,23+,25+,26-,28+,31+,33-,34+/m1/s1

smiles:
CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C(O)=O)C(O)=C(C)C=C1


name: 9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate
cas: 2600-31-9
dtxsid: DTXSID90948902
formula: C27H37FO6
inchikey: FEROCCAEIIKMJT-OMPPIWKSSA-N
norman_susdat_id: NS00045511
pubchem_cid: 5284540
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3


name: Elatine
cas: 26000-16-8
chebiid: CHEBI:4768
chemspiderid: 441730
formula: C38H50N2O10
inchikey: KOWWOODYPWDWOJ-LVBPXUMQSA-N
norman_susdat_id: NS00094363
pubchem_cid: 390333
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@H]6[C@H]7OC)OC)OCO5)OC)OC)COC(=O)C8=CC=CC=C8N9C(=O)CC(C9=O)C


name: Lycoctonine (Royline)
cas: 26000-17-9
chebiid: CHEBI:6590
chemspiderid: 441746
formula: C25H41NO7
inchikey: YOTUXHIWBVZAJQ-YAEAOFIFSA-N
norman_susdat_id: NS00094330
pubchem_cid: 390348
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)CO


name: 7,8-dihydro-8-thioxoguanosine
cas: 26001-38-7
dtxsid: DTXSID30948906
formula: C10H13N5O5S
inchikey: KZELNMSPWPFAEB-UMMCILCDSA-N
norman_susdat_id: NS00050968
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1NC(=S)N2C3OC(CO)C(O)C3O)N
inchi:
InChI=1/C10H13N5O5S/c11-9-13-6-3(7(19)14-9)12-10(21)15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H,12,21)(H3,11,13,14,19)


name: Phenothrin
cas: 26002-80-2
chebiid: CHEBI:34916
chemspiderid: 4603
dtxsid: DTXSID7032688
formula: C23H26O3
inchikey: SBNFWQZLDJGRLK-UHFFFAOYSA-N
norman_susdat_id: NS00099457
pubchem_cid: 4767
smiles: CC(=CC1C(C1(C)C)C(=O)OCc2cccc(c2)Oc3ccccc3)C
inchi:
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3


name: 3ß-hydroxy-5ß-pregn-16-en-20-one 3-acetate
cas: 2601-07-2
formula: C23H34O3
inchikey: YFMSIVMSEGIVCP-VLBJDTNOSA-N
norman_susdat_id: NS00046200
pubchem_cid: 101224
smiles: O=C(OC1CCC2(C)C(CCC3C4CC=C(C(=O)C)C4(C)CCC32)C1)C
inchi:
InChI=1/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3


name: (Z)-N-(1-oxo-9-octadecenyl)glycine
cas: 2601-90-3
chebiid: CHEBI:73723
formula: C20H37NO3
inchikey: HPFXACZRFJDURI-KTKRTIGZSA-N
norman_susdat_id: NS00045512
pubchem_cid: 6436908
smiles: O=C(O)CNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h9-10H,2-8,11-18H2,1H3,(H,21,22)(H,23,24)


name: Magnesium dipalmitate
cas: 2601-98-1
formula: C16H32O2.1/2Mg
inchikey: ABSWXCXMXIZDSN-UHFFFAOYSA-L
norman_susdat_id: NS00082220
smiles: [Mg+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: 8,9,10,11-Tetrabromo-12H-phthaloperin-12-one
cas: 26011-65-4
chemspiderid: 105186
dtxsid: DTXSID50180664
formula: C18H6Br4N2O1
inchikey: OHTFRFYHAZBZIK-UHFFFAOYSA-N
norman_susdat_id: NS00028018
pubchem_cid: 117706
smiles: Brc1c2C(=O)n3c(nc4cccc5cccc3c45)c2c(Br)c(Br)c1Br
inchi:
InChI=1S/C18H6Br4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H


name: Magnesium 3-(2,4-dimethoxyphenyl)-2-butenoate
cas: 26011-83-6
formula: C12H14O4.1/2Mg
inchikey: NRMWCJKNPLZLMY-UHFFFAOYSA-L
norman_susdat_id: NS00084201
smiles: [Mg+2].COc1cc(ccc1C(C)=CC([O-])=O)OC.[O-]C(=O)C=C(C)c1ccc(OC)cc1OC
inchi:
InChI=1/2C12H14O4.Mg/c2*1-8(6-12(13)14)10-5-4-9(15-2)7-11(10)16-3;/h2*4-7H,1-3H3,(H,13,14);/q;;+2/p-2


name: Calcium hydrogen (2R-cis)-(3-methyloxiranyl)phosphonate
cas: 26016-98-8
formula: C3H7O4P.Ca
inchikey: YMZJBJPWTXJQMR-UHFFFAOYSA-L
norman_susdat_id: NS00084495
smiles: CC1OC1P2(=O)O[Ca]O2
inchi:
InChI=1/C3H7O4P.Ca/c1-2-3(7-2)8(4,5)6;/h2-3H,1H3,(H2,4,5,6);/q;+2/p-2/rC3H5CaO4P/c1-2-3(6-2)9(5)7-4-8-9/h2-3H,1H3


name: Disodium (1R,2S)-(1,2-epoxypropyl)phosphonate
cas: 26016-99-9
formula: C3H7O4P.2Na
inchikey: QZIQJIKUVJMTDG-UHFFFAOYSA-L
norman_susdat_id: NS00085054
smiles: CC1OC1P(=O)(O[Na])O[Na]
inchi:
InChI=1/C3H7O4P.2Na/c1-2-3(7-2)8(4,5)6;;/h2-3H,1H3,(H2,4,5,6);;/q;2*+1/p-2/rC3H5Na2O4P/c1-2-3(7-2)10(6,8-4)9-5/h2-3H,1H3


name: C.I. Direct Blue 6
cas: 2602-46-2
chemspiderid: 17214996
dtxsid: DTXSID2020185
formula: C32H24N6O14S4
inchikey: MPCYPRXRVWZKGF-GAKUMYFHSA-J
norman_susdat_id: NS00020776
pubchem_cid: NA
inchi:
InChI=1S/C32H24N6O14S4/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40/h1-14,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b37-29+,38-30+

smiles:
[Na+].[Na+].[Na+].[Na+].Nc1cc(cc2c1C(=O)/C(=N/Nc1ccc(cc1)c1ccc(N/N=C3/C(=O)c4c(cc(cc4N)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])cc1)/C(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: oxetorone
cas: 26020-55-3
chemspiderid: 4941167
formula: C21H21N1O2
inchikey: VZVRZTZPHOHSCK-YVLHZVERSA-N
norman_susdat_id: NS00003163
pubchem_cid: 6436540
smiles: CN(C)CCC=C1/c2oc3ccccc3c2COc2ccccc12
inchi:
InChI=1S/C21H21NO2/c1-22(2)13-7-10-17-15-8-3-5-11-19(15)23-14-18-16-9-4-6-12-20(16)24-21(17)18/h3-6,8-12H,7,13-14H2,1-2H3/b17-10-


cas: 26021-20-5
chemspiderid: 105187
dtxsid: DTXSID6067173
formula: C20H20Br1N7O7
inchikey: MJEWVKATPDZNHU-UHFFFAOYSA-N
norman_susdat_id: NS00028019
pubchem_cid: 117707
smiles: COc1c(cc(NC(=O)C)c(c1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCC#N
name:
Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-

inchi:
InChI=1S/C20H20BrN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)


name: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate
cas: 26021-89-6
dtxsid: DTXSID50885324
formula: C22H26N5OS
inchikey: BZNHGBSVURHYCR-UHFFFAOYSA-M
norman_susdat_id: NS00050970
pubchem_cid: 161511
smiles: N#CCCN(C1=CC=C(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C=C1)CCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C22H26N5OS.CH4O4S/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-5-6(2,3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 260359-57-7
chemspiderid: 18923353
dtxsid: DTXSID00180679
formula: C17H22O3
inchikey: CZWVPEYYVZCJLA-ATFAPYMMSA-N
norman_susdat_id: NS00020404
pubchem_cid: 44150280
smiles: CC1=C(CC=C)C(=O)CC1OC(=O)[C@@H]1[C@@H](C=C)C1(C)C
name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester, (1R,3R)-

inchi:
InChI=1S/C17H22O3/c1-6-8-11-10(3)14(9-13(11)18)20-16(19)15-12(7-2)17(15,4)5/h6-7,12,14-15H,1-2,8-9H2,3-5H3/t12-,14-,15+/m1/s1


name: Diethyl (3-chloro-4-nitrophenyl)methylmalonate
cas: 26039-74-7
chemspiderid: 105192
dtxsid: DTXSID70180686
formula: C14H16Cl1N1O6
inchikey: GWCWXTTXHCXPCW-UHFFFAOYSA-N
norman_susdat_id: NS00028022
pubchem_cid: 117712
smiles: CCOC(=O)C(Cc1cc(Cl)c(cc1)[N+](=O)[O-])C(=O)OCC
inchi:
InChI=1S/C14H16ClNO6/c1-3-21-13(17)10(14(18)22-4-2)7-9-5-6-12(16(19)20)11(15)8-9/h5-6,8,10H,3-4,7H2,1-2H3


name: Bis(2-ethylhexyl) tetrabromophthalate
cas: 26040-51-7
chemspiderid: 104816
dtxsid: DTXSID7027887
formula: C24H34Br4O4
inchikey: UUEDINPOVKWVAZ-UHFFFAOYSA-N
norman_susdat_id: NS00005572
pubchem_cid: 117291
smiles: CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H34Br4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3


name: Pentacosyl alcohol
cas: 26040-98-2
chebiid: CHEBI:78427
dtxsid: DTXSID90948922
formula: C25H52O
inchikey: IACKKVBKKNJZGN-UHFFFAOYSA-N
norman_susdat_id: NS00051759
pubchem_cid: 92247
smiles: OCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h26H,2-25H2,1H3


cas: 260415-63-2
chebiid: CHEBI:49791
dtxsid: DTXSID90332241
formula: C21H16Cl2N4OS
inchikey: VAARYSWULJUGST-UHFFFAOYSA-N
norman_susdat_id: NS00068964
pubchem_cid: 447077
smiles: CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
name:
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfanyl)phenyl]amino}-7h,8h-pyrido[2,3-d]pyrimidin-7-one

inchi:
InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)


name: Phenothrin [(1R)-trans- isomer]
cas: 26046-85-5
chebiid: CHEBI:39405
chemspiderid: 82692
dtxsid: DTXSID1058347
formula: C23H26O3
inchikey: SBNFWQZLDJGRLK-RTWAWAEBSA-N
norman_susdat_id: NS00001911
pubchem_cid: 91581
smiles: CC(C)=C[C@@H]1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
inchi:
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21+/m1/s1


name: Beauvericin
cas: 26048-05-5
chebiid: CHEBI:3000
chemspiderid: 2277520
dtxsid: DTXSID00891834
formula: C45H57N3O9
inchikey: GYSCAQFHASJXRS-FFCOJMSVSA-N
norman_susdat_id: NS00018333
pubchem_cid: 3007984
inchi:
InChI=1S/C45H57N3O9/c1-28(2)37-40(49)46(7)35(26-32-21-15-11-16-22-32)44(53)56-39(30(5)6)42(51)48(9)36(27-33-23-17-12-18-24-33)45(54)57-38(29(3)4)41(50)47(8)34(43(52)55-37)25-31-19-13-10-14-20-31/h10-24,28-30,34-39H,25-27H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1

smiles:
CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C


name: (S)-benzyl [1-benzyl-3-chloro-2-oxopropyl]carbamate
cas: 26049-94-5
dtxsid: DTXSID90885328
formula: C18H18ClNO3
inchikey: OYHLRJGDELITAF-UHFFFAOYSA-N
norman_susdat_id: NS00051806
pubchem_cid: 291704
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)CCl)CC=2C=CC=CC2
inchi:
InChI=1/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)


name: Acetic acid, (triphenylphosphoranylidene)-, methyl ester
cas: 2605-67-6
chemspiderid: 16508
dtxsid: DTXSID6062549
formula: C21H19O2P1
inchikey: NTNUDYROPUKXNA-UHFFFAOYSA-N
norman_susdat_id: NS00028025
pubchem_cid: 17453
smiles: COC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H19O2P/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17H,1H3


name: Bis(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methanone
cas: 26050-81-7
dtxsid: DTXSID20948930
formula: C25H28N2O
inchikey: UHTVJEXRPQDUCJ-UHFFFAOYSA-N
norman_susdat_id: NS00051807
pubchem_cid: 117714
smiles: O=C(C=1C=C2C3=C(C1)CCCN3CCC2)C=4C=C5C6=C(C4)CCCN6CCC5
inchi:
InChI=1/C25H28N2O/c28-25(21-13-17-5-1-9-26-10-2-6-18(14-21)23(17)26)22-15-19-7-3-11-27-12-4-8-20(16-22)24(19)27/h13-16H,1-12H2


name: Sodium 3-(4-nonylphenoxy)propanesulphonate
cas: 26051-50-3
dtxsid: DTXSID60180695
formula: C18H30O4S
inchikey: YBXJDEBEAFBTER-UHFFFAOYSA-M
norman_susdat_id: NS00051024
pubchem_cid: 3015255
smiles: [Na+].O=S(=O)([O-])CCCOC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C18H30O4S.Na/c1-2-3-4-5-6-7-8-10-17-11-13-18(14-12-17)22-15-9-16-23(19,20)21;/h11-14H,2-10,15-16H2,1H3,(H,19,20,21);/q;+1/p-1


name: Disodium 4,4'-bis(3-phenylureido)stilbene-2,2'-disulphonate
cas: 2606-93-1
formula: C28H24N4O8S2
inchikey: OMYYIKYIUKPRDH-YHPRVSEPSA-L
norman_susdat_id: NS00046202
pubchem_cid: 117619
inchi:
InChI=1/C28H24N4O8S2.2Na/c33-27(29-21-7-3-1-4-8-21)31-23-15-13-19(25(17-23)41(35,36)37)11-12-20-14-16-24(18-26(20)42(38,39)40)32-28(34)30-22-9-5-2-6-10-22;;/h1-18H,(H2,29,31,33)(H2,30,32,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=CC1)NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])NC(=O)NC=4C=CC=CC4)C(=C2)S(=O)(=O)[O-]


name: Diflucortolone
cas: 2607-06-9
chemspiderid: 16510
dtxsid: DTXSID50180705
formula: C22H28F2O4
inchikey: OGPWIDANBSLJPC-KSXGCUBKSA-N
norman_susdat_id: NS00002092
pubchem_cid: 17455
smiles: C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC2(C)C1C(=O)CO
inchi:
InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13?,14?,16+,18?,19?,20?,21?,22+/m1/s1


cas: 26079-12-9
formula: C35H27N5O14S3
inchikey: VTUPBQLBSPFWSZ-UHFFFAOYSA-N
norman_susdat_id: NS00051007
pubchem_cid: 3015256
name:
4-hydroxy-3-[[4-[(2-hydroxy-7-sulpho-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]-8-[(4-sulphobenzoyl)amino]naphthalene-2-sulphonic acid

inchi:
InChI=1/C35H27N5O14S3/c1-53-29-17-27(30(54-2)16-26(29)37-39-32-23-14-21(56(47,48)49)12-6-18(23)9-13-28(32)41)38-40-33-31(57(50,51)52)15-24-22(34(33)42)4-3-5-25(24)36-35(43)19-7-10-20(11-8-19)55(44,45)46/h3-17,41-42H,1-2H3,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)

smiles:
O=C(NC1=CC=CC=2C(O)=C(N=NC3=CC(OC)=C(N=NC4=C(O)C=CC5=CC=C(C=C54)S(=O)(=O)O)C=C3OC)C(=CC12)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O


cas: 260794-06-7
dtxsid: DTXSID70882779
norman_susdat_id: NS00111327
name:
2-Propenoic acid, 2-methyl-, 3-chloro-2-hydroxypropyl ester, polymer with N-(hydroxymethyl)-2-propenamide,.gamma.-.omega.-perfluoro-C8-16-alkyl acrylate and stearyl acrylate


cas: 260794-09-0
dtxsid: DTXSID50882737
norman_susdat_id: NS00110639
name:
2-Propenoic acid, 2-methyl-, 3-chloro-2-hydroxypropyl ester, polymers with N-hydroxymethyl-2-propenamide,.gamma.-.omega.-perfluoro-C8-16-alkyl acrylate, stearyl acrylate and vinyl chloride


name: 4,4'-(9H-Fluorene-9,9-diyl)diphenol
cas: 26088-14-2
chebiid: CHEBI:136855
chemspiderid: 69174
dtxsid: DTXSID5037731
formula: C25H18O2
inchikey: YWFPGFJLYRKYJZ-UHFFFAOYSA-N
norman_susdat_id: NS00001837
pubchem_cid: 76716
smiles: Oc1ccc(cc1)C1(c2ccccc2-c2ccccc12)c1ccc(O)cc1
inchi:
InChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H


name: Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium
cas: 2609-88-3
dtxsid: DTXSID4048068
formula: C27H31N2O7S2
inchikey: ADJQRGWIRUKLEE-UHFFFAOYSA-L
norman_susdat_id: NS00046203
pubchem_cid: 65192
smiles: O=S(=O)([O-])C=1C=CC(C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC)=C(C1)S(=O)(=O)[O-]
inchi:
InChI=1/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1


name: 2-(Diethylamino)ethyl 4-[2-(octyloxy)benzamido]benzoate
cas: 26090-29-9
chemspiderid: 36576
dtxsid: DTXSID70275420
formula: C28H40N2O4
inchikey: QOTIDDHANGFPGH-UHFFFAOYSA-N
norman_susdat_id: NS00007151
pubchem_cid: 40012
smiles: CCCCCCCCOc1ccccc1C(=O)Nc1ccc(cc1)C(=O)OCCN(CC)CC
inchi:
InChI=1S/C28H40N2O4/c1-4-7-8-9-10-13-21-33-26-15-12-11-14-25(26)27(31)29-24-18-16-23(17-19-24)28(32)34-22-20-30(5-2)6-3/h11-12,14-19H,4-10,13,20-22H2,1-3H3,(H,29,31)


name: 4,4'-dihydrazinostilbene-2,2'-disulphonic acid
cas: 26092-49-9
formula: C14H16N4O6S2
inchikey: UFBOIWPLCDSNEG-OWOJBTEDSA-N
norman_susdat_id: NS00051810
pubchem_cid: 5338239
smiles: O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NN)NN
inchi:
InChI=1/C14H16N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)


name: Butylammonium oleate
cas: 26094-13-3
formula: C18H34O2.C4H11N
inchikey: VSRHJGWIUVFJCJ-KVVVOXFISA-N
norman_susdat_id: NS00084696
smiles: CCCC[NH3+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3


name: Otilonium bromide
cas: 26095-59-0
dtxsid: DTXSID0046357
formula: C29H43N2O4
inchikey: VWZPIJGXYWHBOW-UHFFFAOYSA-N
norman_susdat_id: NS00050510
pubchem_cid: 72093
smiles: [Br-].O=C(OCC[N+](C)(CC)CC)C1=CC=C(C=C1)NC(=O)C=2C=CC=CC2OCCCCCCCC
inchi:
InChI=1/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H


name: Cambendazole
cas: 26097-80-3
chemspiderid: 30767
dtxsid: DTXSID0046852
formula: C14H14N4O2S1
inchikey: QZWHWHNCPFEXLL-UHFFFAOYSA-N
norman_susdat_id: NS00009532
pubchem_cid: 33309
smiles: CC(C)OC(=O)Nc1ccc2nc([nH]c2c1)-c1cscn1
inchi:
InChI=1S/C14H14N4O2S/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12/h3-8H,1-2H3,(H,16,19)(H,17,18)


name: C.I.Direct Red 80
cas: 2610-10-8
chemspiderid: 21159678
dtxsid: DTXSID8044628
formula: C45H32N10O21S6
inchikey: YIQKLZYTHXTDDT-IJPLDVMMSA-H
norman_susdat_id: NS00019795
pubchem_cid: NA
inchi:
InChI=1S/C45H32N10O21S6/c56-43-33-13-5-27(17-23(33)19-39(81(71,72)73)41(43)54-52-35-15-7-29(21-37(35)79(65,66)67)50-48-25-1-9-31(10-2-25)77(59,60)61)46-45(58)47-28-6-14-34-24(18-28)20-40(82(74,75)76)42(44(34)57)55-53-36-16-8-30(22-38(36)80(68,69)70)51-49-26-3-11-32(12-4-26)78(62,63)64/h1-22,52-53H,(H2,46,47,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)/b50-48+,51-49+,54-41-,55-42-

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc1cc(c(N/N=C/2C(=O)c3c(cc(NC(=O)Nc4cc5c(cc4)C(=O)/C(=NNc4c(cc(cc4)N=Nc4ccc(cc4)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C5)S(=O)(=O)[O-])cc3)C=C2S(=O)(=O)[O-])cc1)S(=O)(=O)[O-]


name: C.I. Direct Red 81 disodium salt
cas: 2610-11-9
chemspiderid: 21159679
dtxsid: DTXSID5041726
formula: C29H21N5O8S2
inchikey: UFUQRRYHIHJMPB-UHFFFAOYSA-L
norman_susdat_id: NS00019517
pubchem_cid: 101686462
inchi:
InChI=1S/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,33H,(H,30,36)(H,37,38,39)(H,40,41,42)/b32-31+,34-27-

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc1ccc(N/N=C/2C(=O)c3c(cc(NC(=O)c4ccccc4)cc3)C=C2S(=O)(=O)[O-])cc1


name: Tetrahydrofuran-2,3,4,5-tetracarboxylic acid, mixed isomers
cas: 26106-63-8
dtxsid: DTXSID60948994
formula: C8H8O9
inchikey: UFOIOXZLTXNHQH-UHFFFAOYSA-N
norman_susdat_id: NS00050517
pubchem_cid: 97421
smiles: O=C(O)C1OC(C(=O)O)C(C(=O)O)C1C(=O)O
inchi:
InChI=1/C8H8O9/c9-5(10)1-2(6(11)12)4(8(15)16)17-3(1)7(13)14/h1-4H,(H,9,10)(H,11,12)(H,13,14)(H,15,16)


name: 3-Cyclohexene-1-carboxylic acid, 3-cyclohexen-1-ylmethyl ester
cas: 2611-00-9
chemspiderid: 16516
dtxsid: DTXSID9027493
formula: C14H20O2
inchikey: FJPFRSQDAFMEKD-UHFFFAOYNA-N
norman_susdat_id: NS00021955
pubchem_cid: NA
smiles: O=C(OCC1CCC=CC1)C1CCC=CC1
inchi:
InChI=1S/C14H20O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-3,5,12-13H,4,6-11H2/t12-,13-/m0/s1


name: Thiamphenicol glycinate hydrochloride
cas: 2611-61-2
chemspiderid: 4447669
dtxsid: DTXSID6023650
formula: C14H18Cl2N2O6S1
inchikey: DKXJDBJNAXSJDH-MHDYBILJSA-N
norman_susdat_id: NS00028032
pubchem_cid: 46941500
smiles: [Cl-].CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl.[H+]
inchi:
InChI=1S/C14H18Cl2N2O6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-17)18-14(21)13(15)16/h2-5,10,12-13,20H,6-7,17H2,1H3,(H,18,21)/t10-,12+/m0/s1


name: 2-(3,4-dihydroxyphenyl)-3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chloride
cas: 2611-67-8
dtxsid: DTXSID40949000
formula: C27H31O16
inchikey: OTLDHWQVPHWNOT-DHJOXOLYSA-M
norman_susdat_id: NS00046239
pubchem_cid: 5158756
smiles: [Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(O)C5
inchi:
InChI=1/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H


cas: 2611-80-5
dtxsid: DTXSID7074955
formula: C23H16N2O8S2
inchikey: NTWZVSRLUAOEKA-UHFFFAOYSA-L
norman_susdat_id: NS00046240
pubchem_cid: 6451427
smiles: [Na+].[Na+].O=C1C=C2C=3C=CC=CC3C(=O)C=4C(=CC=C(C24)N1C)NC5=CC=C(C=C5S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Disodium 4-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]-benzene-1,3-disulphonate

inchi:
InChI=1/C23H16N2O8S2.2Na/c1-25-18-9-8-17(24-16-7-6-12(34(28,29)30)10-19(16)35(31,32)33)22-21(18)15(11-20(25)26)13-4-2-3-5-14(13)23(22)27;;/h2-11,24H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: SX purple
cas: 2611-82-7
chemspiderid: 4588195
dtxsid: DTXSID9021213
formula: C20H14N2O10S3
inchikey: KBXPFAMZTAAOQS-LSDHQDQOSA-N
norman_susdat_id: NS00013483
pubchem_cid: 5483506
inchi:
InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-20+;;;

smiles:
[Na+].[Na+].[Na+].[O-][S](=O)(=O)c1cc2C=CC(=O)C(=N/Nc3ccc(c4ccccc34)[S]([O-])(=O)=O)c2c(c1)[S]([O-])(=O)=O


cas: 26110-32-7
chemspiderid: 105212
dtxsid: DTXSID6067179
formula: C33H47Cl1N2O4
inchikey: ITHPSMPRJDBHIR-UHFFFAOYSA-N
norman_susdat_id: NS00028031
pubchem_cid: 117733
smiles: CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(NC(=O)CC(=O)C(C)(C)C)c2)c(c1)C(C)(C)CC
name:
Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-

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


name: Puromycin Aminonucleoside-5'-Monophosphate
cas: 26113-03-1
dtxsid: DTXSID30180748
formula: C12H19N6O6P
inchikey: BFPIKGKMRKBBBF-GRIPGOBMSA-N
norman_susdat_id: NS00070763
pubchem_cid: 451597
smiles: CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](N)[C@H]1O
inchi:
InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1


name: 1,3,5-tris[3-(trimethoxysilyl)propyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
cas: 26115-70-8
dtxsid: DTXSID2044896
formula: C21H45N3O12Si3
inchikey: QWOVEJBDMKHZQK-UHFFFAOYSA-N
norman_susdat_id: NS00051296
pubchem_cid: 117734
smiles: O=C1N(C(=O)N(C(=O)N1CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC
inchi:
InChI=1/C21H45N3O12Si3/c1-28-37(29-2,30-3)16-10-13-22-19(25)23(14-11-17-38(31-4,32-5)33-6)21(27)24(20(22)26)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3


name: Erythromycin, 9-amino-9-deoxo-, (9S)- (9CI)
cas: 26116-56-3
chemspiderid: 10445023
dtxsid: DTXSID00180750
formula: C37H70N2O12
inchikey: XCLJRCAJSCMIND-UHFFFAOYSA-N
norman_susdat_id: NS00001822
pubchem_cid: 12941612
smiles: CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(N)C(C)C(O)C1(C)O
inchi:
InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3


name: 607-864-3
cas: 26116-57-4
inchikey: YSDKKQHHADWTOQ-UHFFFAOYSA-N
norman_susdat_id: NS00078250
smiles:
Cl.CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=NO)C(C)C(O)C1(C)O


name: Rhodojaponin I
cas: 26116-88-1
chemspiderid: 101306700
formula: C24H36O8
inchikey: BQXZYRJBFJGDSL-PLZLAMROSA-N
norman_susdat_id: NS00093918
smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)(C)O


name: Rhodojaponin II
cas: 26116-89-2
chemspiderid: 101306702
formula: C22H34O7
inchikey: FJISLLRXVSQIES-JOIIKWRGSA-N
norman_susdat_id: NS00093919
pubchem_cid: 57257144
smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@@H]5[C@H]4O5)(C)C)O)(C)O)(C)O


name: FAME
cas: 261179-09-3
chemspiderid: 16680018
formula: C22H32N4O7S1
inchikey: WJKUFUPQAVSRMC-HJWJTTGWSA-N
norman_susdat_id: NS00001030
pubchem_cid: NA
smiles: CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
inchi:
InChI=1S/C22H32N4O7S/c1-13(24-20(30)15(23)12-14-6-4-3-5-7-14)19(29)25-16(10-11-34-2)21(31)26-17(22(32)33)8-9-18(27)28/h3-7,13,15-17H,8-12,23H2,1-2H3,(H,24,30)(H,25,29)(H,26,31)(H,27,28)(H,32,33)/t13-,15-,16-,17-/m0/s1


name: Actinomycin C2
cas: 2612-14-8
chemspiderid: 4447419
dtxsid: DTXSID90873422
formula: C63H88N12O16
inchikey: QCXJFISCRQIYID-GKYLFGMSSA-N
norman_susdat_id: NS00011776
pubchem_cid: 5284337
inchi:
InChI=1S/C63H88N12O16/c1-17-31(8)44-61(86)75-25-19-21-38(75)59(84)71(14)27-40(77)73(16)50(30(6)7)63(88)90-35(12)46(57(82)67-44)69-55(80)41-42(64)51(78)33(10)53-48(41)65-47-36(23-22-32(9)52(47)91-53)54(79)68-45-34(11)89-62(87)49(29(4)5)72(15)39(76)26-70(13)58(83)37-20-18-24-74(37)60(85)43(28(2)3)66-56(45)81/h22-23,28-31,34-35,37-38,43-46,49-50H,17-21,24-27,64H2,1-16H3,(H,66,81)(H,67,82)(H,68,79)(H,69,80)/t31-,34+,35+,37-,38-,43+,44+,45-,46-,49-,50-/m0/s1

smiles:
CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c3c(c(=O)c(c-4oc5c(ccc(c5nc34)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)C)C)N)C)C(C)C)C)C


name: 2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium trichlorozincate
cas: 26123-91-1
formula: C14H20N3O3.Cl3Zn
inchikey: MXKHMEOGXMKWQP-UHFFFAOYSA-K
norman_susdat_id: NS00084215
smiles: CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C14H20N3O3.3ClH.Zn/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;;;;/h9-10H,3-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC14H20N3O3.Cl3Zn/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-4(2)3/h9-10H,3-8H2,1-2H3;/q+1;-1


name: Methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 26131-32-8
dtxsid: DTXSID30896514
formula: C10H3F17O4
inchikey: UMADKHFVSXRTGY-UHFFFAOYSA-N
norman_susdat_id: NS00110118
smiles: COC(=O)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
inchi:
InChI=1/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3


name: Thalidomide
cas: 2614-06-4
chebiid: CHEBI:61918
dtxsid: DTXSID1046972
formula: C13H10N2O4
inchikey: UEJJHQNACJXSKW-VIFPVBQESA-N
norman_susdat_id: NS00099188
pubchem_cid: 92142
smiles: O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
inchi:
InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1


name: 1,4:3,6-dianhydro-D-glucitol distearate
cas: 26149-52-0
dtxsid: DTXSID60949027
formula: C42H78O6
inchikey: DBYUDQKISNUIGB-FOGKZQIUSA-N
norman_susdat_id: NS00050525
pubchem_cid: 21119651
smiles: O=C(OC1COC2C(OC(=O)CCCCCCCCCCCCCCCCC)COC12)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H78O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3


name: 8H,8H-Perfluoropentadecane-7,9-dione
cas: 261503-74-6
dtxsid: DTXSID90379999
formula: C15H2F26O2
inchikey: VJPLPULMKIMOSI-UHFFFAOYSA-N
norman_susdat_id: NS00111911
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H2F26O2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2(42)1-3(43)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H2


name: 1,1,1,2,2,3,3,4,4,8,8,9,9,10,10,11,11,11-Octadecafluoroundecane-5,7-dione
cas: 261503-82-6
dtxsid: DTXSID80895673
formula: C11H2F18O2
inchikey: OYJDIUNBPLCGDV-UHFFFAOYSA-N
norman_susdat_id: NS00111758
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H2F18O2/c12-4(13,6(16,17)8(20,21)10(24,25)26)2(30)1-3(31)5(14,15)7(18,19)9(22,23)11(27,28)29/h1H2


name: Morantel tartrate
cas: 26155-31-7
formula: C12H16N2S.C4H6O6
inchikey: GGXQONWGCAQGNA-LREBCSMRSA-N
norman_susdat_id: NS00083926
smiles: Cc2ccsc2C=C\C1=N\CCCN1C.OC(=O)[C@H](O)[C@@H](O)C(O)=O
inchi:
InChI=1/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)


name: 1-(triphenylmethyl)pyridinium tetrafluoroborate
cas: 26156-84-3
dtxsid: DTXSID10949032
formula: C24H20N
inchikey: PBUNNYDYPYZWML-UHFFFAOYSA-N
norman_susdat_id: NS00051299
pubchem_cid: 9909412
smiles: F[B-](F)(F)F.C=1C=CC(=CC1)C(C=2C=CC=CC2)(C=3C=CC=CC3)[N+]=4C=CC=CC4
inchi:
InChI=1/C24H20N.BF4/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22,23-17-9-3-10-18-23)25-19-11-4-12-20-25;2-1(3,4)5/h1-20H;/q+1;-1


name: N,N',N''-tris(2-methyl-2,3-epoxypropyl)-perhydro-2,4,6-oxo-1,3,5-triazine
cas: 26157-73-3
chemspiderid: 9442782
formula: C15H21N3O6
inchikey: XVKPDQWVRPRLLJ-UHFFFAOYSA-N
norman_susdat_id: NS00004473
pubchem_cid: 11267771
smiles: CC1(Cn2c(=O)n(CC3(C)CO3)c(=O)n(CC3(C)CO3)c2=O)CO1
inchi:
InChI=1S/C15H21N3O6/c1-13(7-22-13)4-16-10(19)17(5-14(2)8-23-14)12(21)18(11(16)20)6-15(3)9-24-15/h4-9H2,1-3H3


name: 2-((1-Oxohexadecyl)oxy)ethyl stearate
cas: 26158-81-6
chemspiderid: 105220
dtxsid: DTXSID40180779
formula: C36H70O4
inchikey: ZAFVQJIDGCGDJK-UHFFFAOYSA-N
norman_susdat_id: NS00028037
pubchem_cid: 117742
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(38)40-34-33-39-35(37)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: Naproxen sodium
cas: 26159-34-2
chebiid: CHEBI:7477
dtxsid: DTXSID7045576
formula: C14H13NaO3
inchikey: CDBRNDSHEYLDJV-FVGYRXGTSA-M
norman_susdat_id: NS00076390
smiles: [Na+].COC1=CC2=CC=C(C=C2C=C1)[C@H](C)C([O-])=O
inchi:
InChI=1S/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/t9-;/m0./s1


name: Uridine 5'-diphosphoglucuronic acid
cas: 2616-64-0
chebiid: CHEBI:17200
chemspiderid: 16522
formula: C15H22N2O18P2
inchikey: HDYANYHVCAPMJV-LXQIFKJMSA-N
norman_susdat_id: NS00015194
pubchem_cid: 17473
smiles: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O
inchi:
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1


name: N-(4-Chloro-2-methylphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 2616-72-0
chemspiderid: 68303
dtxsid: DTXSID10180781
formula: C18H15Cl1N1O5P1
inchikey: SHTFMUPUBYXPCD-UHFFFAOYSA-N
norman_susdat_id: NS00028039
pubchem_cid: 75794
smiles: Cc1cc(Cl)ccc1NC(=O)c1cc2c(cccc2)cc1OP(=O)(O)O
inchi:
InChI=1S/C18H15ClNO5P/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)


name: 2,9,16,23-tetraphenyl-29H,31H-phthalocyanine
cas: 26160-82-7
dtxsid: DTXSID20885336
formula: C56H40N8
inchikey: XCHAVSMOLBKPBW-UHFFFAOYSA-N
norman_susdat_id: NS00050636
pubchem_cid: NA
inchi:
InChI=1/C56H32N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H

smiles:
N1=C2N=C(N=C3N=C(N=C4N=C(N=C5N=C1C=6C=C(C=CC56)C7=CC=CC=C7)C=8C=C(C=CC48)C=9C=CC=CC9)C=%10C=C(C=CC3%10)C%11=CC=CC=C%11)C=%12C=C(C=CC2%12)C%13=CC=CC=C%13


name: Ascochlorin
cas: 26166-39-2
chebiid: CHEBI:156219
chemspiderid: 9433253
formula: C23H29Cl1O4
inchikey: SETVRSKZJJWOPA-FLDGXQSCSA-N
norman_susdat_id: NS00011715
pubchem_cid: 11258227
smiles: C[C@@H]1CCC(=O)[C@@H]([C@@]1(C)/C=C/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)C
inchi:
InChI=1S/C23H29ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,10-12,14,16,27-28H,7-9H2,1-5H3/b11-10+,13-6+/t14-,16+,23+/m1/s1


name: Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
cas: 26171-78-8
chemspiderid: 92640
dtxsid: DTXSID40885338
formula: C18H26O2
inchikey: GIFKSWTZIAVRIG-UHFFFAOYSA-N
norman_susdat_id: NS00012816
pubchem_cid: 102567
smiles: CC1CCC(C(C)C)C(C1)OC(=O)Cc2ccccc2
inchi:
InChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3


name: Fructose 1,6-bis(sodium hydrogen phosphate)
cas: 26177-85-5
formula: C6H14O12P2.2Na
inchikey: RDPZKRDHOFHWOK-UHFFFAOYSA-L
norman_susdat_id: NS00084793
smiles: OC1C(O)C(O)(COP(=O)(O)O[Na])OC1COP(=O)(O)O[Na]
inchi:
InChI=1/C6H14O12P2.2Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;/q;2*+1/p-2/rC6H12Na2O12P2/c7-19-21(12,13)16-1-3-4(9)5(10)6(11,18-3)2-17-22(14,15)20-8/h3-5,9-11H,1-2H2,(H,12,13)(H,14,15)


name: 3-(Perfluorohexyl)-1-(trifluoroacetyl)-5-(trifluoromethyl)-1H-pyrazole
cas: 261778-38-5
dtxsid: DTXSID40893377
formula: C12HF19N2O
inchikey: XRMVBFQAGFWDAX-UHFFFAOYSA-N
norman_susdat_id: NS00110335
smiles: FC(F)(F)C(=O)N1N=C(C=C1C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12HF19N2O/c13-5(14,2-1-3(6(15,16)17)33(32-2)4(34)7(18,19)20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)31/h1H


name: N,N'-Bis(4-aminophenyl)adipamide
cas: 26179-35-1
chemspiderid: 105230
dtxsid: DTXSID40180799
formula: C18H22N4O2
inchikey: HVCRWARLEIATFU-UHFFFAOYSA-N
norman_susdat_id: NS00028040
pubchem_cid: 117752
smiles: Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(N)cc2)cc1
inchi:
InChI=1S/C18H22N4O2/c19-13-5-9-15(10-6-13)21-17(23)3-1-2-4-18(24)22-16-11-7-14(20)8-12-16/h5-12H,1-4,19-20H2,(H,21,23)(H,22,24)


name: Ioglycamic acid
cas: 2618-25-9
chebiid: CHEBI:135902
dtxsid: DTXSID50180801
formula: C18H10I6N2O7
inchikey: FZDZULUFHNDEDJ-UHFFFAOYSA-N
norman_susdat_id: NS00046288
pubchem_cid: 17477
smiles: O=C(O)C=1C(I)=CC(I)=C(NC(=O)COCC(=O)NC2=C(I)C=C(I)C(C(=O)O)=C2I)C1I
inchi:
InChI=1/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)


name: Disodium 3,3'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[2,4,6-triiodobenzoate]
cas: 2618-26-0
formula: C20H14I6N2O6.2Na
inchikey: SIZXNBZGPPPFHM-UHFFFAOYSA-L
norman_susdat_id: NS00081927
smiles: [Na+].[Na+].[O-]C(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)[O-])c2I)c1I
inchi:
InChI=1/C20H14I6N2O6.2Na/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34;;/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34);;/q;2*+1/p-2


name: Benzenecarboperoxoic acid, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl) ester
cas: 2618-77-1
chemspiderid: 68305
dtxsid: DTXSID5062556
formula: C22H26O6
inchikey: RIPYNJLMMFGZSX-UHFFFAOYSA-N
norman_susdat_id: NS00008069
pubchem_cid: 75796
smiles: CC(C)(CCC(C)(C)OOC(=O)c1ccccc1)OOC(=O)c1ccccc1
inchi:
InChI=1S/C22H26O6/c1-21(2,27-25-19(23)17-11-7-5-8-12-17)15-16-22(3,4)28-26-20(24)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3


name: 4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
cas: 26192-76-7
chemspiderid: 105235
dtxsid: DTXSID50180821
formula: C16H13Cl1N2O2
inchikey: NNPXVOKLLUQZCH-UHFFFAOYSA-N
norman_susdat_id: NS00028043
pubchem_cid: 117757
smiles: OC(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C16H13ClN2O2/c17-13-5-1-11(2-6-13)15-9-10-19(18-15)14-7-3-12(4-8-14)16(20)21/h1-8H,9-10H2,(H,20,21)


name: Stavudine Triphosphate
cas: 26194-89-8
dtxsid: DTXSID10180822
formula: C10H15N2O13P3
inchikey: ODSQODTUNULBHF-JGVFFNPUSA-N
norman_susdat_id: NS00070643
pubchem_cid: 65355
smiles: Cc1cn([C@H]2C=C[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23-8)5-22-27(18,19)25-28(20,21)24-26(15,16)17/h2-4,7-8H,5H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1


name: N-{2-Methoxy-5-[(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)amino]phenyl}carbamimidic acid
cas: 261944-52-9
dtxsid: DTXSID001005190
formula: C14H10F5N3O4S
inchikey: FSXLOWIFSZNIMV-UHFFFAOYSA-N
norman_susdat_id: NS00068637
pubchem_cid: 9812416
smiles: COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(N)=O
inchi:
InChI=1S/C14H10F5N3O4S/c1-26-7-3-2-5(4-6(7)21-14(20)23)22-27(24,25)13-11(18)9(16)8(15)10(17)12(13)19/h2-4,22H,1H3,(H3,20,21,23)


name: CP-532623
cas: 261947-38-0
chemspiderid: 8320854
dtxsid: DTXSID7047279
formula: C27H27F9N2O3
inchikey: TUPKOWFPVAXQFP-UHFFFAOYSA-N
norman_susdat_id: NS00015665
pubchem_cid: 10121417
smiles: CCC1CC(C2=C(N1C(=O)OC(C)C)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)C
inchi:
InChI=1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3


name: N,N-dimethyladenosine
cas: 2620-62-4
chebiid: CHEBI:28284
dtxsid: DTXSID90949075
formula: C12H17N5O4
inchikey: WVGPGNPCZPYCLK-WOUKDFQISA-N
norman_susdat_id: NS00045585
pubchem_cid: 440004
smiles: OCC1OC(N2C=NC=3C2=NC=NC3N(C)C)C(O)C1O
inchi:
InChI=1/C12H17N5O4/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,3H2,1-2H3


name: 2,2'-Dithiobis(N-butylbenzamide)
cas: 2620-88-4
chemspiderid: 16541
dtxsid: DTXSID80180839
formula: C22H28N2O2S2
inchikey: GXPQTGLOKRVDNN-UHFFFAOYSA-N
norman_susdat_id: NS00020067
pubchem_cid: 17492
smiles: CCCCNC(=O)c1c(SSc2c(cccc2)C(=O)NCCCC)cccc1
inchi:
InChI=1S/C22H28N2O2S2/c1-3-5-15-23-21(25)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(26)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,23,25)(H,24,26)


name: Manganese dipalmitate
cas: 26204-60-4
formula: C16H32O2.1/2Mn
inchikey: ISCCCEPTSPEASH-UHFFFAOYSA-L
norman_susdat_id: NS00084304
smiles: [Mn+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: 3'-chloro-6'-(cyclohexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 26206-78-0
dtxsid: DTXSID00885339
formula: C26H22ClNO3
inchikey: RDQSNMHMCMDRHU-UHFFFAOYSA-N
norman_susdat_id: NS00051447
pubchem_cid: 117302
smiles: O=C1OC2(C3=CC=C(Cl)C=C3OC4=CC(=CC=C42)NC5CCCCC5)C=6C=CC=CC16
inchi:
InChI=1/C26H22ClNO3/c27-16-10-12-21-23(14-16)30-24-15-18(28-17-6-2-1-3-7-17)11-13-22(24)26(21)20-9-5-4-8-19(20)25(29)31-26/h4-5,8-15,17,28H,1-3,6-7H2


name: 1-Amino-4-hydroxy-2-(2-(4-methylphenoxy)ethoxy)anthraquinone
cas: 26219-05-6
chemspiderid: 105239
dtxsid: DTXSID00180856
formula: C23H19N1O5
inchikey: SMEDYRMOLZVXSL-UHFFFAOYSA-N
norman_susdat_id: NS00028054
pubchem_cid: 117761
smiles: Cc1ccc(OCCOc2cc(O)c3C(=O)c4c(cccc4)C(=O)c3c2N)cc1
inchi:
InChI=1S/C23H19NO5/c1-13-6-8-14(9-7-13)28-10-11-29-18-12-17(25)19-20(21(18)24)23(27)16-5-3-2-4-15(16)22(19)26/h2-9,12,25H,10-11,24H2,1H3


name: Tri-o-tolyl phosphite
cas: 2622-08-4
dtxsid: DTXSID40881239
formula: C21H21O6P
inchikey: PYJQBLKAYAQHNU-UHFFFAOYSA-N
norman_susdat_id: NS00046272
pubchem_cid: 14440920
smiles: OC=1C=CC=CC1COP(OCC=2C=CC=CC2O)OCC=3C=CC=CC3O
inchi:
InChI=1/C21H21O6P/c22-19-10-4-1-7-16(19)13-25-28(26-14-17-8-2-5-11-20(17)23)27-15-18-9-3-6-12-21(18)24/h1-12,22-24H,13-15H2


name: Periciazine
cas: 2622-26-6
chebiid: CHEBI:31981
chemspiderid: 4585
dtxsid: DTXSID5045910
formula: C21H23N3O1S1
inchikey: LUALIOATIOESLM-UHFFFAOYSA-N
norman_susdat_id: NS00003873
pubchem_cid: 4747
smiles: OC1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C#N)CC1
inchi:
InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2


name: Carphenazine
cas: 2622-30-2
chebiid: CHEBI:51235
chemspiderid: 17100
dtxsid: DTXSID8022745
formula: C24H31N3O2S1
inchikey: XZSMZRXAEFNJCU-UHFFFAOYSA-N
norman_susdat_id: NS00009212
pubchem_cid: 18104
smiles: CCC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
inchi:
InChI=1S/C24H31N3O2S/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/h3-4,6-9,18,28H,2,5,10-17H2,1H3


name: Trifluomeprazine
cas: 2622-37-9
chemspiderid: 65110
dtxsid: DTXSID7048247
formula: C19H21F3N2S
inchikey: ILBBYVOOXMPNTM-UHFFFAOYSA-N
norman_susdat_id: NS00114123
pubchem_cid: 72136
smiles: CC(CN(C)C)CN1C2=C(SC3=C1C=C(C=C3)C(F)(F)F)C=CC=C2
inchi:
InChI=1S/C19H21F3N2S/c1-13(11-23(2)3)12-24-15-6-4-5-7-17(15)25-18-9-8-14(10-16(18)24)19(20,21)22/h4-10,13H,11-12H2,1-3H3


name: Mecinarone
cas: 26225-59-2
formula: C24H27NO6
inchikey: WKEFCGWXBSXUOD-UHFFFAOYSA-N
norman_susdat_id: NS00050668
pubchem_cid: NA
smiles: O=C(C=CC1=CC=C(OC)C=C1)C=2C(OC)=C3C=COC3=C(OC)C2OCCN(C)C
inchi:
InChI=1/C24H27NO6/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5/h6-12,14H,13,15H2,1-5H3


name: 4-Methoxybenzilidine-4'-butylaniline
cas: 26227-73-6
chemspiderid: 30817
dtxsid: DTXSID8025549
formula: C18H21N1O1
inchikey: FEIWNULTQYHCDN-XMHGGMMESA-N
norman_susdat_id: NS00028060
pubchem_cid: NA
smiles: CCCCc1ccc(cc1)N=Cc1ccc(OC)cc1
inchi:
InChI=1S/C18H21NO/c1-3-4-5-15-6-10-17(11-7-15)19-14-16-8-12-18(20-2)13-9-16/h6-14H,3-5H2,1-2H3/b19-14+


cas: 262296-64-0
dtxsid: DTXSID30372500
formula: C18H15ClF3N7OS2
inchikey: NWFLHMJUXIPXSO-UHFFFAOYSA-N
norman_susdat_id: NS00097825
smiles: C1=CC=C(C(=C1)C(F)(F)F)NC(=S)NNC(=O)CN2N=C(N=N2)CSC3=CC=C(C=C3)Cl
name:
2-[(5-{[(4-Chlorophenyl)sulfanyl]methyl}-2H-tetrazol-2-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide

inchi:
InChI=1S/C18H15ClF3N7OS2/c19-11-5-7-12(8-6-11)32-10-15-24-28-29(27-15)9-16(30)25-26-17(31)23-14-4-2-1-3-13(14)18(20,21)22/h1-8H,9-10H2,(H,25,30)(H2,23,26,31)


name: 15-Acetoxyscirpendiol
cas: 2623-22-5
dtxsid: DTXSID501017578
formula: C18H26O5
inchikey: JEEMXIZVKNXKNM-UHFFFAOYSA-N
norman_susdat_id: NS00067027
smiles: CC1=CC2C(CC1)(C3(C(C(C(C34CC4)O2)O)O)C)COC(=O)C
inchi:
InChI=1S/C18H26O5/c1-10-4-5-18(9-22-11(2)19)12(8-10)23-15-13(20)14(21)16(18,3)17(15)6-7-17/h8,12-15,20-21H,4-7,9H2,1-3H3


name: Torcetrapib
cas: 262352-17-0
chebiid: CHEBI:49203
dtxsid: DTXSID20180873
formula: C26H25F9N2O4
inchikey: CMSGWTNRGKRWGS-NQIIRXRSSA-N
norman_susdat_id: NS00070398
pubchem_cid: 159325
smiles: CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC
inchi:
InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1


name: Cyclofenil
cas: 2624-43-3
chebiid: CHEBI:31446
chemspiderid: 2795
dtxsid: DTXSID4022866
formula: C23H24O4
inchikey: GVOUFPWUYJWQSK-UHFFFAOYSA-N
norman_susdat_id: NS00021958
pubchem_cid: 2898
smiles: CC(=O)Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(OC(=O)C)cc1
inchi:
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3


name: Coproporphyrinogen
cas: 2624-63-7
chebiid: CHEBI:15439
dtxsid: DTXSID40180875
formula: C36H44N4O8
inchikey: NIUVHXTXUXOFEB-UHFFFAOYSA-N
norman_susdat_id: NS00069777
pubchem_cid: 321
smiles: Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2
inchi:
InChI=1S/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)


name: Bms 270394
cas: 262433-54-5
formula: C23H26FNO4
inchikey: AANFHDFOMFRLLR-LJQANCHMSA-N
norman_susdat_id: NS00069492
pubchem_cid: 445455
smiles: CC1(C)CCC(C)(C)c2cc([C@@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21
inchi:
InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m1/s1


name: Sodium tridecylbenzenesulphonate
cas: 26248-24-8
dtxsid: DTXSID7027889
formula: C19H32O3S.Na
inchikey: DUXXGJTXFHUORE-UHFFFAOYSA-M
norman_susdat_id: NS00084802
smiles: [Na+].[O-]S(=O)(=O)c1ccc(CCCCCCCCCCCCC)cc1
inchi:
InChI=1/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22;/h14-17H,2-13H2,1H3,(H,20,21,22);/q;+1/p-1


name: Dihydroxyoctadecanoic acid
cas: 26248-43-1
dtxsid: DTXSID10180882
formula: C18H36O4
inchikey: SXNBVULTHKFMNO-UHFFFAOYSA-N
norman_susdat_id: NS00050202
pubchem_cid: 20391236
smiles: O=C(O)C(O)(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20/h21-22H,2-16H2,1H3,(H,19,20)


name: 2,4,6-Trichlorophenyl laurate
cas: 26253-52-1
chemspiderid: 2283431
dtxsid: DTXSID10180887
formula: C18H25Cl3O2
inchikey: KHCOZGXKVONPAB-UHFFFAOYSA-N
norman_susdat_id: NS00028067
pubchem_cid: 3015260
smiles: CCCCCCCCCCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl
inchi:
InChI=1S/C18H25Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-17(22)23-18-15(20)12-14(19)13-16(18)21/h12-13H,2-11H2,1H3


name: 3,6,9,12-Tetraoxatetradecan-1-ol, 14-(nonylphenoxy)-
cas: 26264-02-8
chemspiderid: 147395
dtxsid: DTXSID7074826
formula: C25H44O6
inchikey: HRQQEXIVBZHHOQ-UHFFFAOYSA-N
norman_susdat_id: NS00013901
pubchem_cid: 168503
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCO
inchi:
InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3


name: D-glucitol tristearate
cas: 26264-35-7
formula: C60H116O9
inchikey: BDQRVGGFQXINNW-LLPUSWRMSA-N
norman_susdat_id: NS00050696
pubchem_cid: 53676688
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C(O)C(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-53-55(68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(59(66)54(62)52-61)69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-62,66H,4-53H2,1-3H3


cas: 26265-08-7
dtxsid: DTXSID70872791
norman_susdat_id: NS00113519
name:
Phenol, 4,4-(1-methylethylidene)bis[2,6-dibromo-, polymer with 2-(chloromethyl)oxirane and 4,4-(1-methylethylidene)bis[phenol]


name: Thiosulphuric acid, lead salt
cas: 26265-65-6
formula: H2O3S2.xPb
inchikey: NNGIUXNUOGRHIH-UHFFFAOYSA-N
norman_susdat_id: NS00084022
smiles: [Pb].OS(=O)(=O)S
inchi:
InChI=1/H2O3S2.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/rH2O3S2.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4


name: SORBITAN PALMITATE
cas: 26266-57-9
chebiid: CHEBI:170910
chemspiderid: 3336019
formula: C22H42O6
inchikey: IYFATESGLOUGBX-UHFFFAOYSA-N
norman_susdat_id: NS00014101
pubchem_cid: 4122814
smiles: CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)27-17-19(24)22-21(26)18(23)16-28-22/h18-19,21-24,26H,2-17H2,1H3/t18-,19?,21+,22-/m1/s1


name: Sorbitan trioleate
cas: 26266-58-0
chemspiderid: 4940597
dtxsid: DTXSID6027892
formula: C60H108O8
inchikey: PRXRUNOAOLTIEF-XDTJCZEISA-N
norman_susdat_id: NS00005980
pubchem_cid: 6435912
inchi:
InChI=1S/C60H108O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-61H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-/t54-,55?,59+,60-/m1/s1

smiles:
CCCCCCCCC=C/CCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)[C@H]1OC[C@@H](O)[C@@H]1OC(=O)CCCCCCCC=C/CCCCCCCC


name: Dihydroabietyl alcohol
cas: 26266-77-3
chemspiderid: 91802
dtxsid: DTXSID6051936
formula: C20H34O1
inchikey: FLMIYUXOBAUKJM-UHFFFAOYSA-N
norman_susdat_id: NS00001270
pubchem_cid: 101602
smiles: CC(C)C1CCC2C(CCC3C(C)(CO)CCCC23C)=C1
inchi:
InChI=1S/C20H34O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14-15,17-18,21H,5-11,13H2,1-4H3


name: Acadesine
cas: 2627-69-2
chebiid: CHEBI:28498
chemspiderid: 16560
dtxsid: DTXSID5046015
formula: C9H14N4O5
inchikey: RTRQQBHATOEIAF-UUOKFMHZSA-N
norman_susdat_id: NS00014782
pubchem_cid: 17513
smiles: O=C(c1ncn(c1N)C2OC(C(O)C2O)CO)N
inchi:
InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1


name: 2-[4,7-dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy]ethyldimethylammonium hydrogen maleate
cas: 26270-59-7
formula: C24H27NO6.C4H4O4
inchikey: ONRGIIUCHWIUMG-CNEOMQSYSA-M
norman_susdat_id: NS00084336
smiles: COc1ccc(\C=C\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C24H27NO6.C4H4O4/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5;5-3(6)1-2-4(7)8/h6-12,14H,13,15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/p-1


name: Benzylbis(2-hydroxyethyl)octadecylammonium chloride
cas: 26271-97-6
dtxsid: DTXSID10885340
formula: C29H54NO2
inchikey: AYRXBFHUMVFQCM-UHFFFAOYSA-M
norman_susdat_id: NS00050709
pubchem_cid: 117770
smiles: [Cl-].OCC[N+](CC=1C=CC=CC1)(CCO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H54NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-26-31,25-27-32)28-29-21-18-17-19-22-29;/h17-19,21-22,31-32H,2-16,20,23-28H2,1H3;1H/q+1;/p-1


name: N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]stearamide
cas: 26272-76-4
dtxsid: DTXSID4067193
formula: C40H79N3O
inchikey: GPCJRELNZBJORK-UHFFFAOYSA-N
norman_susdat_id: NS00050697
pubchem_cid: 111944
smiles: O=C(NCCN1C(=NCC1)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H79N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3,(H,42,44)


cas: 26289-39-4
chebiid: CHEBI:8927
dtxsid: DTXSID00865277
formula: C16H19N5O10S
inchikey: FXEUKVKGTKDDIQ-UWVGGRQHSA-N
norman_susdat_id: NS00069421
pubchem_cid: 97535
smiles: N[C@@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O
name:
2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-[(2,4-dinitrophenyl)sulfanyl]ethyl}carbamoyl)butanoic acid

inchi:
InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1


name: Titanium(4+) tetrakis[(Z)-9-octadecen-1-olate]
cas: 26291-85-0
formula: C72H140O4Ti
inchikey: SJZOMFBRJGBJJU-UJUIXPSJSA-N
norman_susdat_id: NS00084345
inchi:
InChI=1/4C18H35O.Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h4*9-10H,2-8,11-18H2,1H3;/q4*-1;+4

smiles:
[Ti+4].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-].CCCCCCCC\C=C/CCCCCCCC[O-]


name: Disodium hexadec-2-enylsuccinate
cas: 26292-20-6
formula: C20H36O4
inchikey: DEETVFJENALINC-UHFFFAOYSA-L
norman_susdat_id: NS00051521
pubchem_cid: 53428519
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)[O-])CC=CCCCCCCCCCCCCC
inchi:
InChI=1/C20H36O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);;/q;2*+1/p-2


name: 2,2'-methylenebis[6-(1-phenylethyl)-p-cresol]
cas: 26292-69-3
dtxsid: DTXSID30949155
formula: C31H32O2
inchikey: CKARBJATRQVWJP-UHFFFAOYSA-N
norman_susdat_id: NS00050218
pubchem_cid: 53725236
smiles: OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C)CC3=CC(=CC(=C3O)C(C=4C=CC=CC4)C)C
inchi:
InChI=1/C31H32O2/c1-20-15-26(30(32)28(17-20)22(3)24-11-7-5-8-12-24)19-27-16-21(2)18-29(31(27)33)23(4)25-13-9-6-10-14-25/h5-18,22-23,32-33H,19H2,1-4H3


name: Dodecyl 4-butyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate
cas: 26292-98-8
dtxsid: DTXSID9067196
formula: C46H90O6S3Sn
inchikey: XGQTTWHUFMHJMA-UHFFFAOYSA-K
norman_susdat_id: NS00050219
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)CCCC
inchi:
InChI=1/3C14H28O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-4-2;/h3*17H,2-13H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC46H90O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-50-44(47)41-53-56(40-12-8-4,54-42-45(48)51-38-35-32-29-26-23-20-17-14-10-6-2)55-43-46(49)52-39-36-33-30-27-24-21-18-15-11-7-3/h5-43H2,1-4H3


name: Physcion 8-glucoside
cas: 26296-54-8
chebiid: CHEBI:8185
chemspiderid: 23327231
dtxsid: DTXSID30415749
formula: C22H22O10
inchikey: WLXGUTUUWXVZNM-DQMLXFRHSA-N
norman_susdat_id: NS00094685
pubchem_cid: 5319323
smiles: COC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(C)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=O
inchi:
InChI=1S/C22H22O10/c1-8-3-10-16(19(27)15-11(17(10)25)5-9(30-2)6-12(15)24)13(4-8)31-22-21(29)20(28)18(26)14(7-23)32-22/h3-6,14,18,20-24,26,28-29H,7H2,1-2H3/t14-,18-,20+,21-,22-/m1/s1


name: Octyl (2,4,5-trichlorophenoxy)acetate
cas: 2630-15-1
chemspiderid: 68333
dtxsid: DTXSID80180915
formula: C16H21Cl3O3
inchikey: VXWISAHTAQYMSH-UHFFFAOYSA-N
norman_susdat_id: NS00028079
pubchem_cid: 75824
smiles: CCCCCCCCOC(=O)COc1c(Cl)cc(Cl)c(Cl)c1
inchi:
InChI=1S/C16H21Cl3O3/c1-2-3-4-5-6-7-8-21-16(20)11-22-15-10-13(18)12(17)9-14(15)19/h9-10H,2-8,11H2,1H3


name: 2,4,5-T nonyl ester
cas: 2630-16-2
chemspiderid: 68334
dtxsid: DTXSID8074996
formula: C17H23Cl3O3
inchikey: UTOAPAMXUSPJLF-UHFFFAOYSA-N
norman_susdat_id: NS00028080
pubchem_cid: 75825
smiles: CCCCCCCCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1S/C17H23Cl3O3/c1-2-3-4-5-6-7-8-9-22-17(21)12-23-16-11-14(19)13(18)10-15(16)20/h10-11H,2-9,12H2,1H3


cas: 263016-94-0
chebiid: CHEBI:16578
dtxsid: DTXSID50332065
formula: C14H25N3O14P2
inchikey: YFAUKWZNPVBCFF-XHIBXCGHSA-N
norman_susdat_id: NS00070430
pubchem_cid: 443199
smiles: C[C@](O)(CO)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
name:
{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy(2,3,4-trihydroxy-3-methylbutoxy)phosphoryl]oxy})phosphinic acid

inchi:
InChI=1S/C14H25N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H2,15,16,22)/t7-,8-,10-,11-,12-,14+/m1/s1


cas: 263016-95-1
chebiid: CHEBI:16840
dtxsid: DTXSID10332066
formula: C14H26N3O17P3
inchikey: HTJXTKBIUVFUAR-XHIBXCGHSA-N
norman_susdat_id: NS00070431
pubchem_cid: 443200
name:
{[4-({[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,3-dihydroxy-2-methylbutan-2-yl]oxy}phosphonic acid

inchi:
InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1

smiles:
C[C@@](CO)(OP(=O)(O)O)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O


name: Pepstatin
cas: 26305-03-3
chebiid: CHEBI:7989
dtxsid: DTXSID7046095
formula: C34H63N5O9
inchikey: FAXGPCHRFPCXOO-LXTPJMTPSA-N
norman_susdat_id: NS00051237
pubchem_cid: 5478883
smiles: O=C(O)CC(O)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C)C)CC(C)C
inchi:
InChI=1/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)


name: Acetamide, N-[5-amino-2-[(4-nitrophenyl)azo]phenyl]-
cas: 26311-09-1
chemspiderid: 105251
dtxsid: DTXSID9067198
formula: C14H13N5O3
inchikey: XXYYNENTYVDRBE-UHFFFAOYSA-N
norman_susdat_id: NS00020777
pubchem_cid: 117774
smiles: CC(=O)Nc1c(ccc(N)c1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C14H13N5O3/c1-9(20)16-14-8-10(15)2-7-13(14)18-17-11-3-5-12(6-4-11)19(21)22/h2-8H,15H2,1H3,(H,16,20)


name: Dihexadecyl peroxodicarbonate
cas: 26322-14-5
chemspiderid: 56545
dtxsid: DTXSID1051937
formula: C34H66O6
inchikey: QWVBGCWRHHXMRM-UHFFFAOYSA-N
norman_susdat_id: NS00001907
pubchem_cid: 62810
smiles: CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33(35)39-40-34(36)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


cas: 263251-78-1
dtxsid: DTXSID00180937
formula: C24H32N6O11
inchikey: DVJXNXPFYJIACK-ULQDDVLXSA-N
norman_susdat_id: NS00073403
pubchem_cid: 9808372
smiles: NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc([N+](=O)[O-])ccc2OCC[C@@H](C(=O)NCC(=O)O)NC1=O
name:
3-[7-(4-aminobutyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2h-1,5,8,11-benzoxatriazacyclotetradecin-10-yl]propanoic acid

inchi:
InChI=1S/C24H32N6O11/c25-9-2-1-3-15-23(37)29-17(22(36)26-12-20(33)34)8-10-41-18-6-4-13(30(39)40)11-14(18)21(35)27-16(24(38)28-15)5-7-19(31)32/h4,6,11,15-17H,1-3,5,7-10,12,25H2,(H,26,36)(H,27,35)(H,28,38)(H,29,37)(H,31,32)(H,33,34)/t15-,16-,17-/m0/s1


name: 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine monomaleate
cas: 26328-04-1
formula: C22H31N3O5.C4H4O4
inchikey: XSTJTOKYCAJVMJ-GVTSEVKNSA-N
norman_susdat_id: NS00084392
smiles: COc1cc(\C=C\C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: 5-methyl-5-piperonylhydantoin
cas: 26332-10-5
dtxsid: DTXSID20949200
formula: C12H12N2O4
inchikey: GLRYEKZAKBJMNV-UHFFFAOYSA-N
norman_susdat_id: NS00052024
pubchem_cid: 2997893
smiles: O=C1NC(=O)C(N1)(C)CC2=CC=C3OCOC3=C2
inchi:
InChI=1/C12H12N2O4/c1-12(10(15)13-11(16)14-12)5-7-2-3-8-9(4-7)18-6-17-8/h2-4H,5-6H2,1H3,(H2,13,14,15,16)


name: (cis)-1,3-dibenzyldihydro-1H-furo[3,4-d]imidazole-2,4,6(3H)-trione
cas: 26339-42-4
formula: C19H16N2O4
inchikey: WIVKAHXCBJSNDF-IYBDPMFKSA-N
norman_susdat_id: NS00084677
smiles: O=C1OC(=O)[C@H]2[C@@H]1N(Cc3ccccc3)C(=O)N2Cc4ccccc4
inchi:
InChI=1/C19H16N2O4/c22-17-15-16(18(23)25-17)21(12-14-9-5-2-6-10-14)19(24)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2


name: Aescin Ib
cas: 26339-90-2
chebiid: CHEBI:2500
chemspiderid: 6476031
formula: C55H86O24
inchikey: AXNVHPCVMSNXNP-OXPBSUTMSA-N
norman_susdat_id: NS00093695
pubchem_cid: 4977652
smiles:
C/C=C(/C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C


name: (+/-)12(13)-DiHOME
cas: 263399-35-5
chebiid: CHEBI:72665
chemspiderid: 4446088
formula: C18H34O4
inchikey: CQSLTKIXAJTQGA-FLIBITNWSA-N
norman_susdat_id: NS00018716
pubchem_cid: 10236635
smiles: CCCCCC(C(CC=CCCCCCCCC(=O)O)O)O
inchi:
InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)/b11-8-


name: Butyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 2634-45-9
formula: C22H40O2
inchikey: SVGGKWILBMPIJV-UTJQPWESSA-N
norman_susdat_id: NS00049341
pubchem_cid: 6436910
smiles: O=C(OCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C22H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h9-10,12-13H,3-8,11,14-21H2,1-2H3


name: Rhodojaponin III
cas: 26342-66-5
chemspiderid: 20087458
dtxsid: DTXSID40949207
formula: C20H32O6
inchikey: VUMZHZYKXUYIHM-UHFFFAOYNA-N
norman_susdat_id: NS00067920
pubchem_cid: 21151017
inchi:
InChI=1S/C20H32O6/c1-16(2)15-12(26-15)13-18(4,24)10-6-5-9-14(22)19(10,8-17(9,3)23)7-11(21)20(13,16)25/h9-15,21-25H,5-8H2,1-4H3/t9-,10+,11-,12+,13+,14-,15+,17-,18-,19+,20-/m1/s1


name: Diazene, bis[4-(heptyloxy)phenyl]-, 1-oxide
cas: 2635-26-9
chemspiderid: 68341
dtxsid: DTXSID4062567
formula: C26H38N2O3
inchikey: RFRFUCJJSRXPEE-BYYHNAKLSA-N
norman_susdat_id: NS00028092
pubchem_cid: 75832
smiles: CCCCCCCOc1ccc([N-][N+](=O)c2ccc(OCCCCCCC)cc2)cc1
inchi:
InChI=1S/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3/b28-27+


name: Propanenitrile, 3-[(9Z)-9-octadecenylamino]-
cas: 26351-32-6
chemspiderid: 4942558
dtxsid: DTXSID6027896
formula: C21H40N2
inchikey: WFWQUQYVEYXMPO-KTKRTIGZSA-N
norman_susdat_id: NS00008705
pubchem_cid: 6438051
smiles: CCCCCCCCC=C/CCCCCCCCNCCC#N
inchi:
InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3/b10-9-


name: GW 473178E
cas: 263553-33-9
chemspiderid: 9561872
formula: C21H29N3O2
inchikey: JMPSZYHYDMQFEO-KRWDZBQOSA-N
norman_susdat_id: NS00015685
pubchem_cid: 9820034
smiles: CCN(C(C)C)C(=O)C1=CC(=CC(=C1)OCC(C)NC2=CC=NC=C2)C
inchi:
InChI=1S/C21H29N3O2/c1-6-24(15(2)3)21(25)18-11-16(4)12-20(13-18)26-14-17(5)23-19-7-9-22-10-8-19/h7-13,15,17H,6,14H2,1-5H3,(H,22,23)/t17-/m0/s1


name: Cholest-5-ene-1a,3ß-diol
cas: 26358-75-8
dtxsid: DTXSID70949215
formula: C27H46O2
inchikey: UXFVRWPSABSGRQ-AFWJMSMISA-N
norman_susdat_id: NS00051253
pubchem_cid: 11112200
smiles: OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)C(O)C1
inchi:
InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9,17-18,20-25,28-29H,6-8,10-16H2,1-5H3


name: Barium diicosanoate
cas: 2636-14-8
formula: C20H40O2.1/2Ba
inchikey: OWILMSYOGSOBBZ-UHFFFAOYSA-L
norman_susdat_id: NS00083294
smiles: [Ba+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2


name: Barium didocosanoate
cas: 2636-16-0
formula: C22H44O2.1/2Ba
inchikey: HKYBCZMGCVOGCR-UHFFFAOYSA-L
norman_susdat_id: NS00083301
smiles: [Ba+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C22H44O2.Ba/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;;+2/p-2


name: Barium tetracosanoate
cas: 2636-17-1
formula: C24H48O2.1/2Ba
inchikey: XMWCCOVIJXJJLG-UHFFFAOYSA-L
norman_susdat_id: NS00083649
smiles: [Ba+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C24H48O2.Ba/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(25)26;/h2*2-23H2,1H3,(H,25,26);/q;;+2/p-2


name: Barium heptadecanoate
cas: 2636-18-2
formula: C17H34O2.1/2Ba
inchikey: SKNHKEHTGOJLQL-UHFFFAOYSA-L
norman_susdat_id: NS00083650
smiles: [Ba+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C17H34O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2


name: 5,10,15,20,25,30,35,40-Octaoxatetratetracontane-1,44-diol
cas: 26370-29-6
chemspiderid: NA
dtxsid: DTXSID40549367
formula: C36H74O10
inchikey: ZMNKAPLHRHOFGG-UHFFFAOYSA-N
norman_susdat_id: NS00017723
pubchem_cid: 13782964
smiles: C(CCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCOCCCCO)CO
inchi:
InChI=1S/C36H74O10/c37-19-1-3-21-39-23-5-7-25-41-27-9-11-29-43-31-13-15-33-45-35-17-18-36-46-34-16-14-32-44-30-12-10-28-42-26-8-6-24-40-22-4-2-20-38/h37-38H,1-36H2


cas: 263756-45-2
dtxsid: DTXSID00882888
norman_susdat_id: NS00108914
name:
Docosane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20-hentetracontafluoro-22-iodo-


name: Acetamide, N-[5-[bis(2-methoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
cas: 26377-33-3
chemspiderid: 105260
dtxsid: DTXSID6067202
formula: C21H25Br1N6O8
inchikey: YTGJTRYIRSPFPM-UHFFFAOYSA-N
norman_susdat_id: NS00028097
pubchem_cid: 117784
smiles: COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C21H25BrN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)/b25-24+


name: 4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid)
cas: 2638-94-0
chemspiderid: 83896
dtxsid: DTXSID3044629
formula: C12H16N4O4
inchikey: VFXXTYGQYWRHJP-FOCLMDBBNA-N
norman_susdat_id: NS00021086
pubchem_cid: NA
smiles: C[C@@](CCC(=O)[O-])(N=N[C@](C)(CCC(=O)[O-])C#N)C#N
inchi:
InChI=1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+/t11-,12+


name: [8-[(p-aminophenyl)azo]-7-hydroxy-2-naphthyl]trimethylammonium chloride
cas: 26381-41-9
dtxsid: DTXSID20874043
formula: C19H21N4O
inchikey: UXEAWNJALIUYRH-UHFFFAOYSA-N
norman_susdat_id: NS00051262
pubchem_cid: NA
smiles: [Cl-].OC=1C=CC2=CC=C(C=C2C1N=NC3=CC=C(N)C=C3)[N+](C)(C)C
inchi:
InChI=1/C19H20N4O.ClH/c1-23(2,3)16-10-4-13-5-11-18(24)19(17(13)12-16)22-21-15-8-6-14(20)7-9-15;/h4-12H,1-3H3,(H2-,20,21,22,24);1H


name: Benzyl butyl terephthalate
cas: 26386-42-5
chemspiderid: 2283436
dtxsid: DTXSID90180986
formula: C19H20O4
inchikey: IEICWPCBTOBBDK-UHFFFAOYSA-N
norman_susdat_id: NS00028101
pubchem_cid: 3015267
smiles: CCCCOC(=O)c1ccc(cc1)C(=O)OCc1ccccc1
inchi:
InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3


name: N-oleoylsarcosine, compound with 2,2'-(butylimino)diethanol (1:1)
cas: 26388-45-4
formula: C21H39NO3.C8H19NO2
inchikey: NFMSIGMHKZTQNC-GMFCBQQYSA-N
norman_susdat_id: NS00084695
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.CCCCN(CCO)CCO
inchi:
InChI=1/C21H39NO3.C8H19NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;1-2-3-4-9(5-7-10)6-8-11/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);10-11H,2-8H2,1H3


name: 1,5,9-trimethyl-1-vinyldeca-4,8-dienyl isobutyrate
cas: 2639-68-1
dtxsid: DTXSID60883876
formula: C19H32O2
inchikey: TXLYSYOKEBFFAC-UHFFFAOYSA-N
norman_susdat_id: NS00049399
pubchem_cid: 98044
smiles: O=C(OC(C=C)(C)CCC=C(C)CCC=C(C)C)C(C)C
inchi:
InChI=1/C19H32O2/c1-8-19(7,21-18(20)16(4)5)14-10-13-17(6)12-9-11-15(2)3/h8,11,13,16H,1,9-10,12,14H2,2-7H3


name: Nonanamide, N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-
cas: 26392-63-2
chemspiderid: 95171
dtxsid: DTXSID1067205
formula: C17H39N5O1
inchikey: VKWZDXGYNMWHQU-UHFFFAOYSA-N
norman_susdat_id: NS00021959
pubchem_cid: 105542
smiles: CCCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)


name: 2-Ethylhexanol oleic acid ester
cas: 26399-02-0
chemspiderid: 4942537
dtxsid: DTXSID90893468
formula: C26H50O2
inchikey: FOKDITTZHHDEHD-PFONDFGASA-N
norman_susdat_id: NS00004020
pubchem_cid: 6438028
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C26H50O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h14-15,25H,4-13,16-24H2,1-3H3/b15-14-


name: Profluralin
cas: 26399-36-0
chebiid: CHEBI:82191
chemspiderid: 30913
dtxsid: DTXSID2044559
formula: C14H16F3N3O4
inchikey: ITVQAKZNYJEWKS-UHFFFAOYSA-N
norman_susdat_id: NS00021960
pubchem_cid: 33500
smiles: CCCN(CC1CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
inchi:
InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3


name: Isooctyl diphenyl phosphite
cas: 26401-27-4
dtxsid: DTXSID6027898
formula: C20H27O3P
inchikey: YEQHNTCMAVPEKP-UHFFFAOYSA-N
norman_susdat_id: NS00051292
pubchem_cid: 14440923
smiles: O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OCCCCCC(C)C
inchi:
InChI=1/C20H27O3P/c1-18(2)12-6-5-11-17-21-24(22-19-13-7-3-8-14-19)23-20-15-9-4-10-16-20/h3-4,7-10,13-16,18H,5-6,11-12,17H2,1-2H3


name: Diisotridecyl adipate
cas: 26401-35-4
chemspiderid: 85165
dtxsid: DTXSID6067206
formula: C32H62O4
inchikey: WPUKZOKYKHYASK-UHFFFAOYSA-N
norman_susdat_id: NS00001943
pubchem_cid: 94369
smiles: CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C32H62O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-35-31(33)25-19-20-26-32(34)36-28-22-16-12-8-6-10-14-18-24-30(3)4/h29-30H,5-28H2,1-4H3


name: Diisooctyl 2,2'-tetrathiodiacetate
cas: 26401-38-7
dtxsid: DTXSID10949294
formula: C20H38O4S4
inchikey: MDZAMXBGPDAEIF-UHFFFAOYSA-N
norman_susdat_id: NS00051264
pubchem_cid: 117789
smiles: O=C(OCC(C)(C)CC(C)C)CSSSSCC(=O)OCC(C)(C)CC(C)C
inchi:
InChI=1/C20H38O4S4/c1-15(2)9-19(5,6)13-23-17(21)11-25-27-28-26-12-18(22)24-14-20(7,8)10-16(3)4/h15-16H,9-14H2,1-8H3


name: Triisooctyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate
cas: 26401-86-5
dtxsid: DTXSID7029748
formula: C38H74O6S3Sn
inchikey: GNJDFZSTSXEBCH-UHFFFAOYSA-K
norman_susdat_id: NS00051293
pubchem_cid: NA
smiles: O=C(OCCCCCC(C)C)CS[Sn](SCC(=O)OCCCCCC(C)C)(SCC(=O)OCCCCCC(C)C)CCCCCCCC
inchi:
InChI=1/3C10H20O2S.C8H17.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC38H74O6S3Sn/c1-8-9-10-11-12-22-29-48(45-30-36(39)42-26-19-13-16-23-33(2)3,46-31-37(40)43-27-20-14-17-24-34(4)5)47-32-38(41)44-28-21-15-18-25-35(6)7/h33-35H,8-32H2,1-7H3


name: Diisooctyl 2,2'-[(dioctylstannylene)bis(thio)]diacetate
cas: 26401-97-8
dtxsid: DTXSID3025172
formula: C36H72O4S2Sn
inchikey: HLRRSFOQAFMOTJ-UHFFFAOYSA-L
norman_susdat_id: NS00051265
pubchem_cid: NA
smiles: O=C(OCCCCCC(C)C)CS[Sn](SCC(=O)OCCCCCC(C)C)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C10H20O2S.2C8H17.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-7-9-11-13-15-23-29-43(30-24-16-14-12-10-8-2,41-31-35(37)39-27-21-17-19-25-33(3)4)42-32-36(38)40-28-22-18-20-26-34(5)6/h33-34H,7-32H2,1-6H3


name: PROPYLENE GLYCOL RICI- NOLEATE
cas: 26402-31-3
chemspiderid: 4938121
formula: C21H40O4
inchikey: JZSMZIOJUHECHW-RAXLEYEMSA-N
norman_susdat_id: NS00014022
pubchem_cid: 6432915
smiles: CCCCCCC(O)CC=C/CCCCCCCC(=O)OCC(C)O
inchi:
InChI=1S/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10-


name: N'-(3,4-dihydro-1-isoquinolyl)-N,N-diethylethylenediamine dihydrochloride
cas: 26406-62-2
dtxsid: DTXSID40181004
formula: C15H23N3
inchikey: JUQFJBBPPOFHIP-UHFFFAOYSA-N
norman_susdat_id: NS00052082
pubchem_cid: 3015272
smiles: Cl.Cl.N1=C(NCCN(CC)CC)C=2C=CC=CC2CC1
inchi:
InChI=1/C15H23N3.2ClH/c1-3-18(4-2)12-11-17-15-14-8-6-5-7-13(14)9-10-16-15;;/h5-8H,3-4,9-12H2,1-2H3,(H,16,17);2*1H


name: 3,5-dihydroxyphenyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 2641-00-1
dtxsid: DTXSID40949303
formula: C16H11N2O6S
inchikey: LKOOWRZLGFGMEY-UHFFFAOYSA-N
norman_susdat_id: NS00048059
pubchem_cid: 135602129
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C=C(O)C=C(O)C3)C1=O
inchi:
InChI=1/C16H10N2O6S/c17-18-14-5-4-12-13(16(14)21)2-1-3-15(12)25(22,23)24-11-7-9(19)6-10(20)8-11/h1-8,19-20H


name: Benzoic acid, 2-[[4-(dipropylamino)phenyl]azo]-
cas: 2641-01-2
chemspiderid: 68348
dtxsid: DTXSID3062570
formula: C19H23N3O2
inchikey: LIIDWKDFORMMDQ-UHFFFAOYSA-N
norman_susdat_id: NS00028107
pubchem_cid: 75839
smiles: CCCN(CCC)c1ccc(cc1)N=Nc1ccccc1C(=O)O
inchi:
InChI=1S/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)/b21-20+


name: Butylmercaptooxostannane
cas: 26410-42-4
dtxsid: DTXSID90885348
formula: C4H10OSSn
inchikey: PXOXRZMEQDUGIL-UHFFFAOYSA-M
norman_susdat_id: NS00050848
pubchem_cid: NA
smiles: O=[Sn](S)CCCC
inchi:
InChI=1/C4H9.O.H2S.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;;1H2;/q;;;+1/p-1/rC4H10OSSn/c1-2-3-4-7(5)6/h6H,2-4H2,1H3


name: 2,2'-thiobis[4,6-di-tert-butyl-m-cresol]
cas: 26411-30-3
dtxsid: DTXSID30894818
formula: C30H46O2S
inchikey: CIYZCKSPWRANFK-UHFFFAOYSA-N
norman_susdat_id: NS00050849
pubchem_cid: 23500933
smiles: OC=1C(SC=2C(O)=C(C=C(C2C)C(C)(C)C)C(C)(C)C)=C(C(=CC1C(C)(C)C)C(C)(C)C)C
inchi:
InChI=1/C30H46O2S/c1-17-19(27(3,4)5)15-21(29(9,10)11)23(31)25(17)33-26-18(2)20(28(6,7)8)16-22(24(26)32)30(12,13)14/h15-16,31-32H,1-14H3


name: 1-[[methyl(1-oxooctadecyl)amino]methyl]pyridinium chloride
cas: 26411-40-5
dtxsid: DTXSID00949309
formula: C25H45N2O
inchikey: GGFXCFPLICJYBT-UHFFFAOYSA-M
norman_susdat_id: NS00052084
pubchem_cid: 16205030
smiles: [Cl-].O=C(N(C)C[N+]=1C=CC=CC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H45N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25(28)26(2)24-27-22-19-17-20-23-27;/h17,19-20,22-23H,3-16,18,21,24H2,1-2H3;1H/q+1;/p-1


name: 1-ethyl-4-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 2642-25-3
dtxsid: DTXSID10949310
formula: C23H23N2S
inchikey: ZWIKBMUTEGLNPC-UHFFFAOYSA-M
norman_susdat_id: NS00049400
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=CC3=CC=[N+](C=4C=CC=CC34)CC)CC
inchi:
InChI=1/C23H23N2S.HI/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: Azinphos-ethyl
cas: 2642-71-9
chebiid: CHEBI:38587
chemspiderid: 16576
dtxsid: DTXSID5037498
formula: C12H16N3O3P1S2
inchikey: RQVGAIADHNPSME-UHFFFAOYSA-N
norman_susdat_id: NS00009161
pubchem_cid: 17531
smiles: CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O
eea_notation: CAS_2642-71-9
inchi:
InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohentriacontane
cas: 264229-79-0
dtxsid: DTXSID60895459
formula: C31H39F25
inchikey: UWHCDIVGZGOVSH-UHFFFAOYSA-N
norman_susdat_id: NS00111045
inchi:
InChI=1S/C31H39F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(32,33)21(34,35)22(36,37)23(38,39)24(40,41)25(42,43)26(44,45)27(46,47)28(48,49)29(50,51)30(52,53)31(54,55)56/h2-19H2,1H3

smiles:
CCCCCCCCCCCCCCCCCCCC(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: Dppc
cas: 2644-64-6
chebiid: CHEBI:40265
dtxsid: DTXSID00859055
formula: C40H81NO8P
inchikey: KILNVBDSWZSGLL-KXQOOQHDSA-O
norman_susdat_id: NS00070388
pubchem_cid: 160339
smiles: CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/p+1/t38-/m1/s1


name: Estradiol-17-phenylpropionate
cas: 26443-03-8
chebiid: CHEBI:34746
chemspiderid: 61847
dtxsid: DTXSID00181040
formula: C27H32O3
inchikey: LQWSQQKTZLDGME-RYIFMDQWSA-N
norman_susdat_id: NS00028115
pubchem_cid: 68577
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1
inchi:
InChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1


name: Cresyl diphenyl phosphate
cas: 26444-49-5
chemspiderid: 136815
formula: C19H17O4P1
inchikey: XMNDMAQKWSQVOV-UHFFFAOYSA-N
norman_susdat_id: NS00019488
pubchem_cid: 520263
smiles: Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
inchi:
InChI=1S/C19H17O4P/c1-16-12-14-19(15-13-16)23-24(20,21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18/h2-15H,1H3


name: 1,4-Anhydro-D-glucitol distearate
cas: 26446-39-9
chemspiderid: 21173104
dtxsid: DTXSID40181044
formula: C42H80O7
inchikey: RISFDIQRSIKVAS-FOGKZQIUSA-N
norman_susdat_id: NS00028116
pubchem_cid: 56842006
smiles: CCCCCCCCCCCCCCCCCC(=O)OC1COC(C(O)CO)C1OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H80O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(45)48-38-36-47-41(37(44)35-43)42(38)49-40(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,41-44H,3-36H2,1-2H3/t37-,38-,41-,42-/m0/s1


name: Bis(methylphenyl) phenyl phosphate
cas: 26446-73-1
chemspiderid: 15017254
formula: C20H19O4P1
inchikey: DAZHWGHCARQALS-UHFFFAOYSA-N
norman_susdat_id: NS00019518
pubchem_cid: 117798
smiles: Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2C)cc1
inchi:
InChI=1S/C20H19O4P/c1-16-12-14-19(15-13-16)23-25(21,22-18-9-4-3-5-10-18)24-20-11-7-6-8-17(20)2/h3-15H,1-2H3/t25-/m0/s1


name: Methyl (2a,5ß,6a)-3,4-didehydroibogamine-18ß-carboxylate monohydrochloride
cas: 2645-61-6
formula: C21H24N2O2.ClH
inchikey: AVBOKMGDTOZFMW-GYMDHWDQSA-N
norman_susdat_id: NS00083281
smiles: Cl.CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC
inchi:
InChI=1/C21H24N2O2.ClH/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18;/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3;1H


name: 9,10-Anthracenedione, 1,4-bis(pentylamino)-
cas: 2646-15-3
chemspiderid: 68356
dtxsid: DTXSID8062573
formula: C24H30N2O2
inchikey: RHGBRYSELHPAFL-UHFFFAOYSA-N
norman_susdat_id: NS00021088
pubchem_cid: NA
smiles: CCCCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(NCCCCC)cc1
inchi:
InChI=1S/C24H30N2O2/c1-3-5-9-15-25-19-13-14-20(26-16-10-6-4-2)22-21(19)23(27)17-11-7-8-12-18(17)24(22)28/h7-8,11-14,25-26H,3-6,9-10,15-16H2,1-2H3


name: D-Sedoheptulose 7-phosphate
cas: 2646-35-7
chemspiderid: 17216052
formula: C7H15O10P1
inchikey: CBIDVWSRUUODHL-QTSLKERKSA-N
norman_susdat_id: NS00015243
pubchem_cid: 22833559
smiles: C(C1C(C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O
inchi:
InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7?/m1/s1


name: 4-{3-[3-(Trifluoromethyl)phenyl]isoxazol-5-yl}pyrimidin-2-amine
cas: 264616-57-1
dtxsid: DTXSID30372580
formula: C14H9F3N4O
inchikey: BFSRVFMHEKYHRC-UHFFFAOYSA-N
norman_susdat_id: NS00096845
smiles: C1=CC(=CC(=C1)C(F)(F)F)C2=NOC(=C2)C3=NC(=NC=C3)N
inchi:
InChI=1S/C14H9F3N4O/c15-14(16,17)9-3-1-2-8(6-9)11-7-12(22-21-11)10-4-5-19-13(18)20-10/h1-7H,(H2,18,19,20)


name: SSR146977
cas: 264618-44-2
chemspiderid: 26232133
dtxsid: DTXSID8047341
formula: C35H42Cl2N4O2
inchikey: XWPBINGFFFZAOZ-UUWRZZSWSA-N
norman_susdat_id: NS00015647
pubchem_cid: 53316379
smiles: CN(C)C(=O)NC1(CCN(CC1)CCCC2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
inchi:
InChI=1S/C35H42Cl2N4O2/c1-39(2)33(43)38-35(28-13-7-4-8-14-28)19-23-40(24-20-35)21-9-17-34(29-15-16-30(36)31(37)25-29)18-10-22-41(26-34)32(42)27-11-5-3-6-12-27/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3,(H,38,43)/t34-/m1/s1


cas: 26468-80-4
formula: C16H30O7S
norman_susdat_id: NS00101629
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxo-2-sulfopropyl)-.omega.-(dodecyloxy)-, disodium salt


name: 7-Bromo-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
cas: 2647-50-9
chemspiderid: 10441497
dtxsid: DTXSID40513609
formula: C15H10Br1F1N2O1
inchikey: ZRKDDZBVSZLOFS-UHFFFAOYSA-N
norman_susdat_id: NS00017571
pubchem_cid: 12947024
smiles: C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F
inchi:
InChI=1S/C15H10BrFN2O/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: (6R)-3,5,6-trihydroxy-2-isovaleryl-4,6-bis(3-methylbut-2-enyl)cyclohexa-2,4-dienone
cas: 26472-41-3
chebiid: CHEBI:5769
formula: C21H30O5
inchikey: VMSLCPKYRPDHLN-OAQYLSRUSA-N
norman_susdat_id: NS00051310
pubchem_cid: 442911
smiles: O=C(C1=C(O)C(=C(O)C(O)(C1=O)CC=C(C)C)CC=C(C)C)CC(C)C
inchi:
InChI=1/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3


name: Hexanedioic acid, bis[2-[ethyl(3-methylphenyl)amino]ethyl] ester
cas: 26479-97-0
chemspiderid: 105270
dtxsid: DTXSID0067212
formula: C28H40N2O4
inchikey: GSGOXDRESSXNBM-UHFFFAOYSA-N
norman_susdat_id: NS00028120
pubchem_cid: 117800
smiles: CCN(CCOC(=O)CCCCC(=O)OCCN(CC)c1cccc(C)c1)c1cc(C)ccc1
inchi:
InChI=1S/C28H40N2O4/c1-5-29(25-13-9-11-23(3)21-25)17-19-33-27(31)15-7-8-16-28(32)34-20-18-30(6-2)26-14-10-12-24(4)22-26/h9-14,21-22H,5-8,15-20H2,1-4H3


name: N,N-dimethyldocosylamine N-oxide
cas: 26483-35-2
dtxsid: DTXSID10181076
formula: C24H52NO
inchikey: GORUZQZCUPHPAX-UHFFFAOYSA-N
norman_susdat_id: NS00050899
pubchem_cid: 22481610
smiles: [O-][N+](C)(C)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h4-24H2,1-3H3


name: 2-ethylhexyl (6-isocyanatohexyl)-carbamate
cas: 26488-60-8
dtxsid: DTXSID90949358
formula: C16H30N2O3
inchikey: BKSYWSWWJYBIRP-UHFFFAOYSA-N
norman_susdat_id: NS00050901
pubchem_cid: 16205032
smiles: O=C=NCCCCCCNC(=O)OCC(CC)CCCC
inchi:
InChI=1/C16H30N2O3/c1-3-5-10-15(4-2)13-21-16(20)18-12-9-7-6-8-11-17-14-19/h15H,3-13H2,1-2H3,(H,18,20)


name: 3-ethoxypregna-3,5-diene-21,17a-carbolactone
cas: 2649-76-5
chemspiderid: 92417
formula: C24H34O3
inchikey: PFOMZLRVGKNKCE-PXFMPXEPSA-N
norman_susdat_id: NS00007540
pubchem_cid: 102303
smiles: CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
inchi:
InChI=1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18-,19+,20+,22+,23+,24-/m1/s1


name: Nandrolone laurate
cas: 26490-31-3
dtxsid: DTXSID80949362
formula: C30H48O3
inchikey: OXXNTXVXBWLYQE-PVHICTMWSA-N
norman_susdat_id: NS00050902
pubchem_cid: 94371
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCCC
inchi:
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3


cas: 2650-17-1
dtxsid: DTXSID20883877
formula: C25H28N2O6S2
inchikey: VVLFAAMTGMGYBS-UHFFFAOYSA-M
norman_susdat_id: NS00048800
pubchem_cid: 3859618
smiles: [H+].[Na+].O=S(=O)([O-])C1=CC=C(C(=C1)S(=O)(=O)[O-])C(=C2C=CC(=NCC)C(=C2)C)C3=CC=C(NCC)C(=C3)C
name:
Sodium hydrogen 4-[[4-(ethylamino)-m-tolyl][4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulphonate

inchi:
InChI=1/C25H28N2O6S2.Na.H2/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);;1H/q;2*+1/p-2


cas: 2650-18-2
dtxsid: DTXSID4034310
formula: C37H41N4O9S3
inchikey: BHZFDPPNOXKWBF-UHFFFAOYSA-K
norman_susdat_id: NS00049419
pubchem_cid: NA
name:
Diammonio(ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C37H43N4O9S3/c1-3-40(25-27-9-7-11-33(23-27)51(42,43)44)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)53(48,49)50)30-17-21-32(22-18-30)41(38,39,4-2)26-28-10-8-12-34(24-28)52(45,46)47/h5-24H,3-4,25-26H2,1-2,38-39H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)/q+3/p-3

smiles:
O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+]([NH3+])([NH3+])(CC4=CC=CC(=C4)S(=O)(=O)[O-])CC)C=5C=CC=CC5S(=O)(=O)[O-])CC


name: N2-[(phenylmethoxy)carbonyl]-L-glutamine
cas: 2650-64-8
dtxsid: DTXSID50883880
formula: C13H16N2O5
inchikey: JIMLDJNLXLMGLX-JTQLQIEISA-N
norman_susdat_id: NS00048060
pubchem_cid: 75855
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCC(=O)N
inchi:
InChI=1/C13H16N2O5/c14-11(16)7-6-10(12(17)18)15-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,19)(H,17,18)


name: Tetrabutylammonium nitrite
cas: 26501-54-2
formula: C16H36N.NO2
inchikey: SHRKDVQQQPFSIY-UHFFFAOYSA-M
norman_susdat_id: NS00084463
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]N=O
inchi:
InChI=1/C16H36N.HNO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;(H,2,3)/q+1;/p-1


name: Cimicoxib
cas: 265114-23-6
chebiid: CHEBI:76127
dtxsid: DTXSID30181093
formula: C16H13ClFN3O3S
inchikey: KYXDNECMRLFQMZ-UHFFFAOYSA-N
norman_susdat_id: NS00068504
pubchem_cid: 213053
smiles: COc1ccc(-c2c(Cl)ncn2-c2ccc(S(N)(=O)=O)cc2)cc1F
inchi:
InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23)


name: Ethyl 3-amino-4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethoxy]but-2-enoate
cas: 265136-65-0
chemspiderid: 9349668
dtxsid: DTXSID30725198
formula: C16H18N2O5
inchikey: OEBFVKDPQVFAPH-UHFFFAOYSA-N
norman_susdat_id: NS00005512
pubchem_cid: 57376450
smiles: CCOC(=O)C=C(N)COCCN1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C16H18N2O5/c1-2-23-14(19)9-11(17)10-22-8-7-18-15(20)12-5-3-4-6-13(12)16(18)21/h3-6,9H,2,7-8,10,17H2,1H3


name: Icosamethylnonasiloxane
cas: 2652-13-3
dtxsid: DTXSID8062575
formula: C20H60O8Si9
inchikey: XVNZQBSRKFXKSM-UHFFFAOYSA-N
norman_susdat_id: NS00048081
pubchem_cid: 75858
inchi:
InChI=1/C20H60O8Si9/c1-29(2,3)21-31(7,8)23-33(11,12)25-35(15,16)27-37(19,20)28-36(17,18)26-34(13,14)24-32(9,10)22-30(4,5)6/h1-20H3

smiles:
O([Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C


name: Tris(nonylphenyl) phosphite
cas: 26523-78-4
dtxsid: DTXSID8027903
formula: C45H69O3P
inchikey: WGKLOLBTFWFKOD-UHFFFAOYSA-N
norman_susdat_id: NS00051738
pubchem_cid: 85595
smiles: O(C=1C=CC=CC1CCCCCCCCC)P(OC=2C=CC=CC2CCCCCCCCC)OC=3C=CC=CC3CCCCCCCCC
inchi:
InChI=1/C45H69O3P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)46-49(47-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)48-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3


name: 1-(1-naphthylazo)-2-naphthol
cas: 2653-64-7
dtxsid: DTXSID3062576
formula: C20H14N2O
inchikey: CYZWPZHRSZNWLS-UHFFFAOYSA-N
norman_susdat_id: NS00048868
pubchem_cid: 75859
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=CC=4C=CC=CC34
inchi:
InChI=1/C20H14N2O/c23-19-13-12-15-7-2-4-10-17(15)20(19)22-21-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,23H


name: 1-Naphthalenol, 4-(1-naphthalenylazo)-
cas: 2653-72-7
dtxsid: DTXSID7075216
formula: C20H14N2O
inchikey: NSWKKBKROCMOHA-UHFFFAOYSA-N
norman_susdat_id: NS00048110
pubchem_cid: 75860
smiles: OC1=CC=C(N=NC2=CC=CC=3C=CC=CC23)C=4C=CC=CC14
inchi:
InChI=1/C20H14N2O/c23-20-13-12-19(16-9-3-4-10-17(16)20)22-21-18-11-5-7-14-6-1-2-8-15(14)18/h1-13,23H


name: Tritridecanoin
cas: 26536-12-9
chemspiderid: 62521
dtxsid: DTXSID60181107
formula: C42H80O6
inchikey: UDXANBFMQUOKTQ-UHFFFAOYSA-N
norman_susdat_id: NS00028128
pubchem_cid: 117811
smiles: CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC
inchi:
InChI=1S/C42H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-39(48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3


name: Glycerides, C18 tri
cas: 26536-13-0
chemspiderid: 3859312
formula: C60H116O6
inchikey: IZTDYXKTXNJHMQ-UHFFFAOYSA-N
norman_susdat_id: NS00095790
pubchem_cid: 4670742
smiles: CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C60H116O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58(61)64-55-57(66-60(63)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3


name: 9,12-octadecadienal
cas: 26537-70-2
chebiid: CHEBI:165522
dtxsid: DTXSID20880841
formula: C18H32O
inchikey: HXLZULGRVFOIDK-AVQMFFATSA-N
norman_susdat_id: NS00095972
smiles: CCCCCC=CCC=CCCCCCCCC=O
inchi:
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,18H,2-5,8,11-17H2,1H3/b7-6+,10-9+


name: 9,12,15-octadecatrienal
cas: 26537-71-3
dtxsid: DTXSID00880768
formula: C18H30O
inchikey: TUCMDDWTBVMRTP-IUQGRGSQSA-N
norman_susdat_id: NS00095971
smiles: CCC=CCC=CCC=CCCCCCCCC=O
inchi:
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3/b4-3+,7-6+,10-9+


name: Zearalanol
cas: 26538-44-3
chemspiderid: 20916
dtxsid: DTXSID4022315
formula: C18H26O5
inchikey: DWTTZBARDOXEAM-UHFFFAOYSA-N
norman_susdat_id: NS00000193
pubchem_cid: 22283
smiles: O=C1OC(CCCC(O)CCCCCc2cc(O)cc(O)c12)C
inchi:
InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3


name: 2,3-dimethylbenzothiazolium p-toluenesulphonate
cas: 2654-52-6
dtxsid: DTXSID8062577
formula: C7H8O3S
inchikey: GYHJFWZSCIYJKD-UHFFFAOYSA-M
norman_susdat_id: NS00049490
pubchem_cid: 102307
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C=2C=CC=CC2[N+](=C1C)C
inchi:
InChI=1/C9H10NS.C7H8O3S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Nonanedioic acid, diisooctyl ester
cas: 26544-17-2
chemspiderid: 60295
dtxsid: DTXSID9067221
formula: C25H48O4
inchikey: CYNJQGPDCDNZBL-UHFFFAOYSA-N
norman_susdat_id: NS00019796
pubchem_cid: 66934
smiles: CC(C)CCCCCOC(=O)CCCCCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C25H48O4/c1-22(2)16-10-8-14-20-28-24(26)18-12-6-5-7-13-19-25(27)29-21-15-9-11-17-23(3)4/h22-23H,5-21H2,1-4H3


name: MCPA-isooctyl
cas: 26544-20-7
chemspiderid: 30942
formula: C17H25Cl1O3
inchikey: PDIYKJRLQHHRAG-UHFFFAOYSA-N
norman_susdat_id: NS00019519
pubchem_cid: 33540
smiles: Cc1cc(ccc1OCC(=O)OCCCCCC(C)C)Cl
inchi:
InChI=1S/C17H25ClO3/c1-13(2)7-5-4-6-10-20-17(19)12-21-16-9-8-15(18)11-14(16)3/h8-9,11,13H,4-7,10,12H2,1-3H3


name: Diisooctyl phenyl phosphite
cas: 26544-22-9
dtxsid: DTXSID4067222
formula: C22H39O3P
inchikey: GPKQLHLOONCFDY-UHFFFAOYSA-N
norman_susdat_id: NS00050511
pubchem_cid: 117813
smiles: O(C=1C=CC=CC1)P(OCCCCCC(C)C)OCCCCCC(C)C
inchi:
InChI=1/C22H39O3P/c1-20(2)14-8-6-12-18-23-26(25-22-16-10-5-11-17-22)24-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3


name: isodecyl diphenyl phosphite
cas: 26544-23-0
chemspiderid: 8127099
formula: C22H31O3P1
inchikey: ADRNSOYXKABLGT-UHFFFAOYSA-N
norman_susdat_id: NS00010046
pubchem_cid: 9951488
smiles: CC(C)CCCCCCCOP(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C22H31O3P/c1-20(2)14-8-4-3-5-13-19-23-26(24-21-15-9-6-10-16-21)25-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3


name: 3,9-bis(isodecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
cas: 26544-27-4
dtxsid: DTXSID30949392
formula: C25H50O6P2
inchikey: DZINNFAPCUPFRA-UHFFFAOYSA-N
norman_susdat_id: NS00051739
pubchem_cid: 117317
smiles: O1P(OCC2(OCP(OC2)OC(C)CCCCCCCC)C1)OC(C)CCCCCCCC
inchi:
InChI=1/C25H50O6P2/c1-5-7-9-11-13-15-17-23(3)30-32-22-26-25(19-27-32)20-28-33(29-21-25)31-24(4)18-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3


cas: 26544-34-3
dtxsid: DTXSID90949393
formula: C26H28O14
inchikey: FDRBRRBUPLHXEM-PUVROTEMSA-N
norman_susdat_id: NS00050512
pubchem_cid: 20054831
smiles: O=C1C=C(OC2=CC(OC3OC(CO)C(OC4OCC(O)(CO)C4O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=CC5
name:
7-[(2-O-D-apio-ß-D-furanosyl-ß-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

inchi:
InChI=1/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2


name: (Tetrapropenyl)succinic anhydride
cas: 26544-38-7
chemspiderid: 17215442
dtxsid: DTXSID8027905
formula: C16H26O3
inchikey: WBRBLKRDTHYRRV-MDWZMJQESA-N
norman_susdat_id: NS00002813
pubchem_cid: 22833321
smiles: CC(C)CC(C)CC(C)C=C(/C)C1CC(=O)OC1=O
inchi:
InChI=1S/C16H26O3/c1-10(2)6-11(3)7-12(4)8-13(5)14-9-15(17)19-16(14)18/h8,10-12,14H,6-7,9H2,1-5H3/b13-8+


name: (neodecanoato-O)phenylmercury
cas: 26545-49-3
dtxsid: DTXSID9067223
formula: C16H24HgO2
inchikey: VAQXYTXEFDFLIS-UHFFFAOYSA-M
norman_susdat_id: NS00113279
smiles: CC(C)(C)CCCCCC(=O)O[Hg]C1=CC=CC=C1
inchi:
InChI=1S/C10H20O2.C6H5.Hg/c1-10(2,3)8-6-4-5-7-9(11)12;1-2-4-6-5-3-1;/h4-8H2,1-3H3,(H,11,12);1-5H;/q;;+1/p-1


name: Disodium dinaphthylmethanedisulfonate
cas: 26545-58-4
chemspiderid: 11655536
dtxsid: DTXSID3041900
formula: C21H16O6S2
inchikey: DWHOIYXAMUMQTI-UHFFFAOYSA-L
norman_susdat_id: NS00019463
pubchem_cid: 13710374
smiles: c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])Cc3ccc4ccccc4c3S(=O)(=O)[O-].[Na+].[Na+]
inchi:
InChI=1S/C21H16O6S2/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)


name: GLYCERYL LINOLEATE
cas: 26545-74-4
chebiid: CHEBI:75568
chemspiderid: 4446589
formula: C21H38O4
inchikey: WECGLUPZRHILCT-HZJYTTRNSA-N
norman_susdat_id: NS00013703
pubchem_cid: 5283469
smiles: CCCCC/C=CCC=C/CCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-


name: 1,4:3,6-Dianhydro-D-glucitol monostearate
cas: 26545-77-7
chemspiderid: 21173106
dtxsid: DTXSID70181118
formula: C24H44O5
inchikey: MNABXJPXVCQXEO-XWVZOOPGSA-N
norman_susdat_id: NS00028129
pubchem_cid: 56841958
smiles: CCCCCCCCCCCCCCCCCC(=O)OC1COC2C(O)COC12
inchi:
InChI=1S/C24H44O5/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/h20-21,23-25H,2-19H2,1H3/t20-,21+,23-,24+/m1/s1


name: Estra-1,3,5(10)-triene-3,17ß-diol mono(3-oxohexanoate)
cas: 26545-90-4
formula: C24H32O4
inchikey: VWKPKVRVHJSMKW-NTYLBUJVSA-N
norman_susdat_id: NS00051741
pubchem_cid: 73759963
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34)CC(=O)CCC
inchi:
InChI=1/C24H32O4/c1-3-4-16(25)14-23(27)28-17-6-8-18-15(13-17)5-7-20-19(18)11-12-24(2)21(20)9-10-22(24)26/h6,8,13,19-22,26H,3-5,7,9-12,14H2,1-2H3


name: (R)-phenyl[[(2,2,2-trichloroethoxy)carbonyl]amino]acetic acid
cas: 26553-34-4
formula: C11H10Cl3NO4
inchikey: LROKCBKQEZCUKI-MRVPVSSYSA-N
norman_susdat_id: NS00084500
smiles: OC(=O)[C@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1
inchi:
InChI=1/C11H10Cl3NO4/c12-11(13,14)6-19-10(18)15-8(9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)


cas: 26562-79-8
formula: C23H22N4O7
inchikey: XRPODAJBSZLQLY-UHFFFAOYSA-N
norman_susdat_id: NS00050546
pubchem_cid: 3015286
smiles: O=C(OCCOC(=O)C)C1=CC=C(N=NC2C(=O)N(N=C2C(=O)OCC)C=3C=CC=CC3)C=C1
name:
Ethyl 4-[[4-[[2-(acetoxy)ethoxy]carbonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C23H22N4O7/c1-3-32-23(31)20-19(21(29)27(26-20)18-7-5-4-6-8-18)25-24-17-11-9-16(10-12-17)22(30)34-14-13-33-15(2)28/h4-12,19H,3,13-14H2,1-2H3


name: (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)propanedioic acid
cas: 26564-96-5
dtxsid: DTXSID60895676
formula: C11H7F13O4
inchikey: AYPSLICMPFXLQI-UHFFFAOYSA-N
norman_susdat_id: NS00111067
smiles: OC(=O)C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C11H7F13O4/c12-6(13,2-1-3(4(25)26)5(27)28)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3H,1-2H2,(H,25,26)(H,27,28)


name: NS3728
cas: 265646-85-3
dtxsid: DTXSID00181141
formula: C16H9BrF6N6O
inchikey: OQRAKHDEGGGWQO-UHFFFAOYSA-N
norman_susdat_id: NS00073607
pubchem_cid: 71587684
smiles: O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(Br)ccc1-c1nn[nH]n1
inchi:
InChI=1S/C16H9BrF6N6O/c17-9-1-2-11(13-26-28-29-27-13)12(6-9)25-14(30)24-10-4-7(15(18,19)20)3-8(5-10)16(21,22)23/h1-6H,(H2,24,25,30)(H,26,27,28,29)


name: Bis(nonylphenyl) phosphonate
cas: 26569-08-4
formula: C30H47O3P
inchikey: OZCYNULLIUZMAR-UHFFFAOYSA-N
norman_susdat_id: NS00051018
pubchem_cid: NA
smiles: O=P(OC=1C=CC=CC1CCCCCCCCC)OC=2C=CC=CC2CCCCCCCCC
inchi:
InChI=1/C30H47O3P/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)32-34(31)33-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2/h17-20,23-26,34H,3-16,21-22H2,1-2H3


name: Tris(nonylphenyl) phosphate
cas: 26569-53-9
dtxsid: DTXSID90949414
formula: C45H69O4P
inchikey: OOZBTDPWFHJVEK-UHFFFAOYSA-N
norman_susdat_id: NS00051784
pubchem_cid: 3034370
smiles: O=P(OC=1C=CC=CC1CCCCCCCCC)(OC=2C=CC=CC2CCCCCCCCC)OC=3C=CC=CC3CCCCCCCCC
inchi:
InChI=1/C45H69O4P/c1-4-7-10-13-16-19-22-31-40-34-25-28-37-43(40)47-50(46,48-44-38-29-26-35-41(44)32-23-20-17-14-11-8-5-2)49-45-39-30-27-36-42(45)33-24-21-18-15-12-9-6-3/h25-30,34-39H,4-24,31-33H2,1-3H3


name: Sodium p-decylbenzenesulphonate
cas: 265-69-0
formula: C16H26O3S.Na
inchikey: RLJSXMVTLMHXJS-UHFFFAOYSA-M
norman_susdat_id: NS00082948
smiles: [Na+].CCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C16H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19;/h11-14H,2-10H2,1H3,(H,17,18,19);/q;+1/p-1


cas: 26570-69-4
dtxsid: DTXSID90882776
norman_susdat_id: NS00112012
name:
2-Propenoic acid, esters, 2-methyl-, 2-ethylhexyl ester, polymer with 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl 2-propenoate


name: Nonoxynol-9
cas: 26571-11-9
chebiid: CHEBI:53775
chemspiderid: 65319
dtxsid: DTXSID00858720
formula: C33H60O10
inchikey: FBWNMEQMRUMQSO-UHFFFAOYSA-N
norman_susdat_id: NS00005778
pubchem_cid: 72385
smiles: CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3


name: PPG-17 DIOLEATE
cas: 26571-49-3
chemspiderid: 4940777
formula: C39H72O4
inchikey: DAGUWHQPUZIHIC-XPWSMXQVSA-N
norman_susdat_id: NS00014006
pubchem_cid: 6441479
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3/b19-17+,20-18+


name: 3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide
cas: 26576-46-5
chemspiderid: 105286
dtxsid: DTXSID7044631
formula: C11H11N3O3
inchikey: VEMDQCGHZNXORX-UHFFFAOYSA-N
norman_susdat_id: NS00004231
pubchem_cid: 117822
smiles: CC(=O)CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
inchi:
InChI=1S/C11H11N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)(H2,13,14,17)


cas: 26576-47-6
formula: C19H16ClN5O5
inchikey: DASUKABWGNNUEB-UHFFFAOYSA-N
norman_susdat_id: NS00051785
pubchem_cid: 3015287
smiles: O=C(OC)C1=CC=C(Cl)C=C1N=NC(C(=O)NC2=CC=C3NC(=O)NC3=C2)C(=O)C
name:
Methyl 4-chloro-2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]benzoate

inchi:
InChI=1/C19H16ClN5O5/c1-9(26)16(25-24-14-7-10(20)3-5-12(14)18(28)30-2)17(27)21-11-4-6-13-15(8-11)23-19(29)22-13/h3-8,16H,1-2H3,(H,21,27)(H2,22,23,29)


name: 2-amino-4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzenesulphonic acid
cas: 26592-28-9
dtxsid: DTXSID90181155
formula: C10H7ClF2N4O3S
inchikey: QALUXLMZFUOZTH-UHFFFAOYSA-N
norman_susdat_id: NS00051004
pubchem_cid: 3015288
smiles: O=S(=O)(O)C1=CC=C(C=C1N)NC=2N=C(F)N=C(F)C2Cl
inchi:
InChI=1/C10H7ClF2N4O3S/c11-7-8(12)16-10(13)17-9(7)15-4-1-2-6(5(14)3-4)21(18,19)20/h1-3H,14H2,(H,15,16,17)(H,18,19,20)


cas: 26595-57-3
chemspiderid: 23976803
dtxsid: DTXSID40676001
formula: C18H12Cl12
inchikey: RFCMCABFBMLNQF-UHFFFAOYSA-N
norman_susdat_id: NS00008716
pubchem_cid: 46782104
smiles: ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)C1CCC2C(C1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
name:
1,2,3,4,9,9-Hexachloro-6-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalene

inchi:
InChI=1S/C18H12Cl12/c19-9-10(20)16(26)8(4-13(9,23)17(16,27)28)5-1-2-6-7(3-5)15(25)12(22)11(21)14(6,24)18(15,29)30/h5-8H,1-4H2


name: p-hydroxy atorvastatin
cas: 265989-44-4
chebiid: CHEBI:168285
chemspiderid: NA
formula: C33H35F1N2O6
inchikey: SOZOATLLFFVAPM-UHFFFAOYSA-N
norman_susdat_id: NS00040769
pubchem_cid: 131876933
smiles: CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(O)=O)-c1ccccc1
inchi:
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)


name: Azaspiracid 2
cas: 265996-92-7
formula: C48H73NO12
inchikey: FWMJPUBOGPIFOU-PKNBQFBNSA-N
norman_susdat_id: NS00097713
inchi:
InChI=1S/C48H73NO12/c1-26-16-34(11-9-10-12-40(50)51)55-44(21-26)13-14-47(61-44)32(7)19-35-36(58-47)20-38(54-35)43(52)48(53)33(8)18-29(4)41(60-48)30(5)23-45-22-27(2)17-37(56-45)42-39(57-45)24-46(59-42)31(6)15-28(3)25-49-46/h9,11,16,27-29,31-39,41-43,49,52-53H,5,10,12-15,17-25H2,1-4,6-8H3,(H,50,51)/b11-9+

smiles:
CC1CC2C3C(CC4(O3)C(CC(CN4)C)C)OC(C1)(O2)CC(=C)C5C(CC(C(O5)(C(C6CC7C(O6)CC(C8(O7)CCC9(O8)CC(=CC(O9)/C=C/CCC(=O)O)C)C)O)O)C)C


cas: 265996-93-8
formula: C46H69NO12
inchikey: XGHMSEQYABFWLF-JXMROGBWSA-N
norman_susdat_id: NS00097714
name:
(4E)-5-[2-(Hydroxy{2-hydroxy-5-methyl-6-[3-(3,5,10'-trimethyl-8'H-spiro[piperidine-2,4'-[3,7,12]trioxatricyclo[6.3.1.0~2,6~]dodecan]-8'-yl)-1-propen-2-yl]tetrahydro-2H-pyran-2-yl}methyl)-6-methyl-2,3,u000du000a3',3'',3a,4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl]-4-pentenoic acid

inchi:
InChI=1S/C46H69NO12/c1-26-19-35-40-37(24-44(57-40)30(5)18-27(2)25-47-44)55-43(22-26,54-35)23-29(4)39-28(3)13-15-45(51,58-39)41(50)36-21-34-33(52-36)20-31(6)46(56-34)17-16-42(59-46)14-9-11-32(53-42)10-7-8-12-38(48)49/h7,9-11,26-28,30-37,39-41,47,50-51H,4,8,12-25H2,1-3,5-6H3,(H,48,49)/b10-7+

smiles:
CC1CCC(OC1C(=C)CC23CC(CC(O2)C4C(O3)CC5(O4)C(CC(CN5)C)C)C)(C(C6CC7C(O6)CC(C8(O7)CCC9(O8)CC=CC(O9)/C=C/CCC(=O)O)C)O)O


name: Bis(octylphenyl)amine
cas: 26603-23-6
dtxsid: DTXSID70873102
formula: C28H43N
inchikey: FOUNRKRNEDRUPL-UHFFFAOYSA-N
norman_susdat_id: NS00051021
pubchem_cid: 13685878
smiles: C=1C=CC(=C(C1)NC=2C=CC=CC2CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C28H43N/c1-3-5-7-9-11-13-19-25-21-15-17-23-27(25)29-28-24-18-16-22-26(28)20-14-12-10-8-6-4-2/h15-18,21-24,29H,3-14,19-20H2,1-2H3


name: (2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(methyl-m-phenylene) isocyanate
cas: 26603-40-7
dtxsid: DTXSID90885363
formula: C27H18N6O6
inchikey: NEQZCEZVSYQHDT-UHFFFAOYSA-N
norman_susdat_id: NS00050548
pubchem_cid: 117827
smiles: O=C=NC1=CC(=CC=C1C)N2C(=O)N(C(=O)N(C2=O)C3=CC=C(C(N=C=O)=C3)C)C4=CC=C(C(N=C=O)=C4)C
inchi:
InChI=1/C27H18N6O6/c1-16-4-7-19(10-22(16)28-13-34)31-25(37)32(20-8-5-17(2)23(11-20)29-14-35)27(39)33(26(31)38)21-9-6-18(3)24(12-21)30-15-36/h4-12H,1-3H3


name: Barium magnesium orthosilicate(1:2:1)
cas: 26603-62-3
formula: Ba.H6O7Si2.2Mg
inchikey: LPUDORWICDQPRD-UHFFFAOYSA-N
norman_susdat_id: NS00085113
smiles: [MgH2].[MgH2].[Ba].[O-][Si]([O-])([O-])[O-]
inchi:
InChI=1/Ba.2Mg.O4Si.4H/c;;;1-5(2,3)4;;;;/q3*+2;-4;;;;/rBa.2H2Mg.O4Si/c;;;1-5(2,3)4/h;2*1H2;/q3*+2;-4


name: N,N''-(methyl-m-phenylene)bis[N',N'-dimethylurea]
cas: 26604-41-1
formula: C13H20N4O2
inchikey: NEVYNAFJLYYHPR-UHFFFAOYSA-N
norman_susdat_id: NS00051022
pubchem_cid: 15751827
smiles: O=C(NC1=CC=CC(NC(=O)N(C)C)=C1C)N(C)C
inchi:
InChI=1/C13H20N4O2/c1-9-10(14-12(18)16(2)3)7-6-8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)


name: Carindacillin sodium
cas: 26605-69-6
chebiid: CHEBI:31358
formula: C26H26N2O6S.Na
inchikey: QFWPXOXWAUAYAB-XZVIDJSISA-M
norman_susdat_id: NS00084517
smiles: [Na+].CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4CCCc4c3)c5ccccc5)C(=O)N2[C@H]1C(=O)[O-]
inchi:
InChI=1/C26H26N2O6S.Na/c1-26(2)20(24(31)32)28-22(30)19(23(28)35-26)27-21(29)18(15-7-4-3-5-8-15)25(33)34-17-12-11-14-9-6-10-16(14)13-17;/h3-5,7-8,11-13,18-20,23H,6,9-10H2,1-2H3,(H,27,29)(H,31,32);/q;+1/p-1


name: 1-benzyl hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)
cas: 26607-48-7
formula: C13H15NO4.C12H23N
inchikey: PWMKQBQSSFVIFC-MERQFXBCSA-N
norman_susdat_id: NS00084518
smiles: OC(=O)[C@@H]1CCCN1C(=O)OCc2ccccc2.C3CCC(CC3)NC4CCCCC4
inchi:
InChI=1/C13H15NO4.C12H23N/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-3,5-6,11H,4,7-9H2,(H,15,16);11-13H,1-10H2


name: Zotepine
cas: 26615-21-4
chebiid: CHEBI:32316
chemspiderid: 5534
dtxsid: DTXSID9023756
formula: C18H18Cl1N1O1S1
inchikey: HDOZVRUNCMBHFH-UHFFFAOYSA-N
norman_susdat_id: NS00002476
pubchem_cid: 5736
smiles: CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
inchi:
InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3


name: Dihydroisomorphine
cas: 26626-12-0
formula: C17H21NO3
inchikey: IJVCSMSMFSCRME-NOSXKOESSA-N
norman_susdat_id: NS00097752
smiles: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@@H](CC4)O
inchi:
InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13+,16-,17-/m0/s1


name: 4-(isopropyl)-2-[3-(trifluoromethyl)phenyl]morpholine hydrochloride
cas: 26629-86-7
formula: C14H18F3NO
inchikey: XYYSVSLSSDHEGA-UHFFFAOYSA-N
norman_susdat_id: NS00050590
pubchem_cid: 432824
smiles: Cl.FC(F)(F)C=1C=CC=C(C1)C2OCCN(C2)C(C)C
inchi:
InChI=1/C14H18F3NO.ClH/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17;/h3-5,8,10,13H,6-7,9H2,1-2H3;1H


name: Oxaflozane
cas: 26629-87-8
chebiid: CHEBI:135128
formula: C14H18F3NO
inchikey: FVYUQFQCEOZYHZ-UHFFFAOYSA-N
norman_susdat_id: NS00084268
smiles: CC(C)N1CCOC(C1)c2cccc(c2)C(F)(F)F
inchi:
InChI=1/C14H18F3NO/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,13H,6-7,9H2,1-2H3


cas: 26635-93-8
dtxsid: DTXSID3027908
norman_susdat_id: NS00075831
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(9Z)-9-octadecen-1-ylimino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: Reparixin
cas: 266359-83-5
dtxsid: DTXSID6046509
formula: C14H21NO3S
inchikey: KQDRVXQXKZXMHP-LLVKDONJSA-N
norman_susdat_id: NS00068145
pubchem_cid: 9838712
smiles: CC(C)Cc1ccc([C@@H](C)/C(O)=N/S(C)(=O)=O)cc1
inchi:
InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1


name: Diisooctyl 2,2'-[(dimethylstannylene)bis(thio)]diacetate
cas: 26636-01-1
dtxsid: DTXSID8027909
formula: C22H44O4S2Sn
inchikey: IRFPIPNMASANJY-UHFFFAOYSA-L
norman_susdat_id: NS00051079
pubchem_cid: NA
smiles: O=C(OCCCCCC(C)C)CS[Sn](SCC(=O)OCCCCCC(C)C)(C)C
inchi:
InChI=1/2C10H20O2S.2CH3.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC22H44O4S2Sn/c1-19(2)13-9-7-11-15-25-21(23)17-27-29(5,6)28-18-22(24)26-16-12-8-10-14-20(3)4/h19-20H,7-18H2,1-6H3


name: Methyl pentachlorostearate
cas: 26638-28-8
chemspiderid: 17215821
dtxsid: DTXSID1025647
formula: C19H33Cl5O2
inchikey: KUTUTRAPYFSPRB-UHFFFAOYSA-N
norman_susdat_id: NS00020406
pubchem_cid: 22833496
smiles: COC(=O)C(Cl)CCC(Cl)CCCCCC(Cl)CCC(Cl)CCCCCl
inchi:
InChI=1S/C19H33Cl5O2/c1-26-19(25)18(24)13-12-17(23)8-4-2-3-7-15(21)10-11-16(22)9-5-6-14-20/h15-18H,2-14H2,1H3/t15-,16+,17-,18+/m0/s1


name: 5-[[(1-hydroxy-2-naphthyl)carbonyl]octadecylamino]phthalic acid
cas: 26639-29-2
dtxsid: DTXSID70885366
formula: C37H49NO6
inchikey: SBMCDVLTCBRZHN-UHFFFAOYSA-N
norman_susdat_id: NS00050037
pubchem_cid: NA
smiles: O=C(O)C1=CC=C(C=C1C(=O)O)N(C(=O)C=2C=CC=3C=CC=CC3C2O)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-38(29-23-25-31(36(41)42)33(27-29)37(43)44)35(40)32-24-22-28-20-17-18-21-30(28)34(32)39/h17-18,20-25,27,39H,2-16,19,26H2,1H3,(H,41,42)(H,43,44)


name: (Z)-N,N-dimethyl-9-octadecenamide
cas: 2664-42-8
dtxsid: DTXSID2040288
formula: C20H39NO
inchikey: GAXDEROCNMZYCS-QXMHVHEDSA-N
norman_susdat_id: NS00048127
pubchem_cid: 5356959
smiles: O=C(N(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(2)3/h11-12H,4-10,13-19H2,1-3H3


name: Dodecylparaben
cas: 2664-60-0
chemspiderid: 16611
dtxsid: DTXSID9047883
formula: C19H30O3
inchikey: BAYSQTBAJQRACX-UHFFFAOYSA-N
norman_susdat_id: NS00028143
pubchem_cid: 17569
smiles: CCCCCCCCCCCCOC(=O)c1ccc(O)cc1
inchi:
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3


name: 18-carboxy-8,12-diethyl-3,7,13,17-tetramethyl-21H,23H-porphine-2-propionic acid
cas: 26640-04-0
formula: C32H40N4O4
inchikey: DCTQJJYAOXUUTR-UHFFFAOYSA-N
norman_susdat_id: NS00050038
pubchem_cid: NA
smiles: O=C(O)C=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)O)C(=C4CC)C)C(=C3C)CC)C1C
inchi:
InChI=1/C32H32N4O4/c1-7-19-15(3)22-11-24-17(5)21(9-10-30(37)38)28(35-24)14-29-31(32(39)40)18(6)25(36-29)12-23-16(4)20(8-2)27(34-23)13-26(19)33-22/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)


name: Triforine
cas: 26644-46-2
chebiid: CHEBI:9715
chemspiderid: 30966
dtxsid: DTXSID5032654
formula: C10H14Cl6N4O2
inchikey: RROQIUMZODEXOR-UHFFFAOYSA-N
norman_susdat_id: NS00009786
pubchem_cid: 33565
smiles: ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl
inchi:
InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanenitrile
cas: 26649-26-3
dtxsid: DTXSID80895431
formula: C11H4F17N
inchikey: XDVOHXVWJNEFGQ-UHFFFAOYSA-N
norman_susdat_id: NS00111735
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)CCC#N
inchi:
InChI=1S/C11H4F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2


name: Butanedioic acid, 2-sulfo-, 4-[2-[(1-oxo-10-undecen-1-yl)amino]ethyl] ester, sodium salt (1:2)
cas: 26650-05-5
chemspiderid: 105296
dtxsid: DTXSID40889694
formula: C17H29N1O8S1
inchikey: LQBCFBVZKXBOIE-UHFFFAOYSA-N
norman_susdat_id: NS00013634
pubchem_cid: 117834
smiles: [Na+].[Na+].[O-]C(=O)C(CC(=O)OCCNC(=O)CCCCCCCCC=C)[S]([O-])(=O)=O
inchi:
InChI=1S/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-16(20)13-14(17(21)22)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,21,22)(H,23,24,25);;/q;2*+1/p-2


name: Thiocyanic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester
cas: 26650-10-2
chemspiderid: 9937582
dtxsid: DTXSID80880241
formula: C11H4F17N1S1
inchikey: QLKXZNKNUBWTFP-UHFFFAOYSA-N
norman_susdat_id: NS00018885
pubchem_cid: 11762886
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)CCSC#N
inchi:
InChI=1S/C11H4F17NS/c12-4(13,1-2-30-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2


name: Ritodrine
cas: 26652-09-5
chemspiderid: 30971
dtxsid: DTXSID7048534
formula: C17H21N1O3
inchikey: IOVGROKTTNBUGK-SJCJKPOMSA-N
norman_susdat_id: NS00002290
pubchem_cid: 33572
smiles: C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
inchi:
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1


name: Propanoic acid, 3,3'-thiobis-, diisooctyl ester
cas: 26655-40-3
chemspiderid: 105298
dtxsid: DTXSID3067231
formula: C22H42O4S1
inchikey: VDZNRBPIVGKYDI-UHFFFAOYSA-N
norman_susdat_id: NS00028148
pubchem_cid: 117836
smiles: CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C22H42O4S/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3


name: Dipalmitin
cas: 26657-95-4
chebiid: CHEBI:77619
chemspiderid: 61457
dtxsid: DTXSID7047431
formula: C35H68O5
inchikey: GFAZGHREJPXDMH-UHFFFAOYSA-N
norman_susdat_id: NS00013697
pubchem_cid: 68149
smiles: CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3


name: D-glucitol monolaurate
cas: 26657-97-6
formula: C18H36O7
inchikey: HYZDYRHKPFPODK-CYGHRXIMSA-N
norman_susdat_id: NS00050057
pubchem_cid: 13797506
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCC
inchi:
InChI=1/C18H36O7/c1-2-3-4-5-6-7-8-9-10-11-16(22)25-13-15(21)18(24)17(23)14(20)12-19/h14-15,17-21,23-24H,2-13H2,1H3


name: Dioctyl dihydrogen diphosphate
cas: 26658-09-3
dtxsid: DTXSID30885367
formula: C16H36O7P2
inchikey: UMHKOAYRTRADAT-UHFFFAOYSA-N
norman_susdat_id: NS00050058
pubchem_cid: 117837
smiles: O=P(O)(OCCCCCCCC)OP(=O)(O)OCCCCCCCC
inchi:
InChI=1/C16H36O7P2/c1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)(H,19,20)


name: Sorbitan tristearate
cas: 26658-19-5
dtxsid: DTXSID8047054
formula: C60H116O9
inchikey: OIPULUQKRXSPPS-UHFFFAOYSA-N
norman_susdat_id: NS00050059
pubchem_cid: NA
smiles: O=C(OCC(O)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C(O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C60H116O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-52-54(61)59(66)60(69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(62)53-68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-62,66H,4-53H2,1-3H3


cas: 26658-70-8
dtxsid: DTXSID00880384
norman_susdat_id: NS00108853
name:
Benzene, pentafluoro[1,2,2-trifluoro-2-[(trifluoroethenyl)oxy]-1-(trifluoromethyl)ethoxy]-, polymer with tetrafluoroethene and trifluoro(trifluoromethoxy)ethene


name: Sodium 4-(4-(N-methylacetamido)phenyl-1-amino)-1-amino-9,10-dioxoanthracene-2-sulphonate
cas: 2666-17-3
formula: C23H19N3O6S.Na
inchikey: LFBAIADAFAFCIK-UHFFFAOYSA-M
norman_susdat_id: NS00083697
smiles: CC(=O)CNc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1
inchi:
InChI=1/C23H19N3O6S.Na/c1-12(27)11-25-13-6-8-14(9-7-13)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)15-4-2-3-5-16(15)23(20)29;/h2-10,25-26H,11,24H2,1H3,(H,30,31,32);/q;+1/p-1/rC23H18N3NaO6S/c1-12(28)11-25-13-6-8-14(9-7-13)26-17-10-18(34(31,32)33-27)21(24)20-19(17)22(29)15-4-2-3-5-16(15)23(20)30/h2-10,25-26H,11,24H2,1H3


name: (R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl oleate
cas: 26662-94-2
chebiid: CHEBI:34083
formula: C39H76NO8P
inchikey: FHQVHHIBKUMWTI-OTMQOFQLSA-N
norman_susdat_id: NS00050060
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
inchi:
InChI=1/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)


name: Bisbentiamine
cas: 2667-89-2
chebiid: CHEBI:31288
chemspiderid: 2298575
dtxsid: DTXSID7048586
formula: C38H42N8O6S2
inchikey: IWXAZSAGYJHXPX-BCEWYCLDSA-N
norman_susdat_id: NS00007828
pubchem_cid: 3034022
smiles: CC(N(Cc1cnc(C)nc1N)C=O)=C(CCOC(=O)c1ccccc1)SSC(CCOC(=O)c1ccccc1)=C(/C)N(Cc1cnc(C)nc1N)C=O
inchi:
InChI=1S/C38H42N8O6S2/c1-25(45(23-47)21-31-19-41-27(3)43-35(31)39)33(15-17-51-37(49)29-11-7-5-8-12-29)53-54-34(16-18-52-38(50)30-13-9-6-10-14-30)26(2)46(24-48)22-32-20-42-28(4)44-36(32)40/h5-14,19-20,23-24H,15-18,21-22H2,1-4H3,(H2,39,41,43)(H2,40,42,44)/b33-25+,34-26+


name: 2-[(4-amino-3-methoxyphenyl)sulphonyl]ethyl hydrogen sulphate
cas: 26672-22-0
dtxsid: DTXSID50949495
formula: C9H13NO7S2
inchikey: LXPCKCQPLWEYSW-UHFFFAOYSA-N
norman_susdat_id: NS00050572
pubchem_cid: NA
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N)C(OC)=C1
inchi:
InChI=1/C9H13NO7S2/c1-16-9-6-7(2-3-8(9)10)18(11,12)5-4-17-19(13,14)15/h2-3,6H,4-5,10H2,1H3,(H,13,14,15)


name: Ethanol, 2-[(4-amino-2,5-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester)
cas: 26672-24-2
chemspiderid: 105300
dtxsid: DTXSID8067232
formula: C10H15N1O8S2
inchikey: YTIYUMNTOZTPCC-UHFFFAOYSA-N
norman_susdat_id: NS00028150
pubchem_cid: 88332421
smiles: COc1cc(c(OC)cc1N)S(=O)(=O)CCOS(=O)(=O)O
inchi:
InChI=1S/C10H15NO8S2/c1-17-8-6-10(9(18-2)5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)


cas: 26677-12-3
chemspiderid: 21173116
dtxsid: DTXSID3067233
formula: C34H34N4O7
inchikey: VMMFVPSMUQFRIC-JXFKEZNVSA-N
norman_susdat_id: NS00028151
pubchem_cid: NA
name:
21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, (7S,8S)-

inchi:
InChI=1S/C34H34N4O7/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23/h6,11-14,16,20,35-36H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45)/b23-11-,24-11-,25-12-,26-13-,27-12?,28-13?,32-21-,33-21-/t16-,20-/m0/s1

smiles:
CCc1c2[nH]c(C=c3[nH]c(=CC4=NC(=C(CC(=O)O)C5=NC(=C2)C(=C5C(=O)O)C)[C@@H](CCC(=O)O)[C@@H]4C)c(C)c3C=C)c1C=O


name: Medrysone
cas: 2668-66-8
chebiid: CHEBI:34829
chemspiderid: 216968
dtxsid: DTXSID6045371
formula: C22H32O3
inchikey: GZENKSODFLBBHQ-ILSZZQPISA-N
norman_susdat_id: NS00003836
pubchem_cid: 247839
smiles: C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
inchi:
InChI=1S/C22H32O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h10,12,15-17,19-20,25H,5-9,11H2,1-4H3/t12-,15-,16+,17-,19-,20+,21-,22+/m0/s1


name: 17-Acetoxy-1,4,6-pregnatriene-3,20-dione
cas: 2668-75-9
chemspiderid: 10050718
formula: C23H28O4
inchikey: QXTWZEGENLVVRE-KOORYGTMSA-N
norman_susdat_id: NS00006749
pubchem_cid: 11876390
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
inchi:
InChI=1S/C23H28O4/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/h5-7,10,13,18-20H,8-9,11-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1


name: 2H-Azepin-2-one, 1,1'-(1,4-phenylenedicarbonyl)bis[hexahydro-
cas: 2669-15-0
chemspiderid: 68385
dtxsid: DTXSID2062583
formula: C20H24N2O4
inchikey: IOGGBUVFUGPCLQ-UHFFFAOYSA-N
norman_susdat_id: NS00028153
pubchem_cid: 75879
smiles: O=C(N1CCCCCC1=O)c1ccc(cc1)C(=O)N1CCCCCC1=O
inchi:
InChI=1S/C20H24N2O4/c23-17-7-3-1-5-13-21(17)19(25)15-9-11-16(12-10-15)20(26)22-14-6-2-4-8-18(22)24/h9-12H,1-8,13-14H2


name: Diethyl (4-decyloxy-3-ethoxyanilino)methylenemalonate
cas: 26692-07-9
chemspiderid: 2283456
dtxsid: DTXSID00181202
formula: C26H41N1O6
inchikey: IYBVBQKQALCQIP-UHFFFAOYSA-N
norman_susdat_id: NS00028154
pubchem_cid: 3015291
smiles: CCCCCCCCCCOc1c(OCC)cc(NC=C(C(=O)OCC)C(=O)OCC)cc1
inchi:
InChI=1S/C26H41NO6/c1-5-9-10-11-12-13-14-15-18-33-23-17-16-21(19-24(23)30-6-2)27-20-22(25(28)31-7-3)26(29)32-8-4/h16-17,19-20,27H,5-15,18H2,1-4H3


name: C.I. Disperse Red 193
cas: 26692-47-7
chemspiderid: 105305
dtxsid: DTXSID8067236
formula: C21H23Cl1N4O8S1
inchikey: ZWZLLAMBXRZLQM-UHFFFAOYSA-N
norman_susdat_id: NS00021092
pubchem_cid: NA
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(Cl)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)C
inchi:
InChI=1S/C21H23ClN4O8S/c1-14(27)33-10-8-25(9-11-34-15(2)28)16-4-6-19(18(22)12-16)23-24-20-7-5-17(26(29)30)13-21(20)35(3,31)32/h4-7,12-13H,8-11H2,1-3H3


name: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate
cas: 26694-69-9
formula: C28H31N2O3.C2H5O4S
inchikey: JQMYOJYEBJFAHA-UHFFFAOYSA-M
norman_susdat_id: NS00084287
smiles: CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCOS(=O)(=O)[O-]
inchi:
InChI=1/C28H31N2O3.C2H6O4S/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;1-2-6-7(3,4)5/h9-16,29-30H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 3,6-bis(ethylamino)-9-[o-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium hydrogen carbonate
cas: 26694-70-2
formula: C27H29N2O3.CHO3
inchikey: RJMBBFAGHQHEFM-UHFFFAOYSA-L
norman_susdat_id: NS00084780
smiles: CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OC)c2cc1C.[O-]C(=O)[O-]
inchi:
InChI=1/C27H29N2O3.CH2O3/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;2-1(3)4/h8-15,28-29H,6-7H2,1-5H3;(H2,2,3,4)/q+1;/p-2


name: N-[(2-naphthyloxy)carbonyl]-3-phenyl-DL-alanine
cas: 26694-87-1
dtxsid: DTXSID90949515
formula: C20H17NO4
inchikey: FQTOTRMQZPBLBJ-SFHVURJKSA-N
norman_susdat_id: NS00050128
pubchem_cid: 92174299
smiles: O=C(OC=1C=CC=2C=CC=CC2C1)NC(C(=O)O)CC=3C=CC=CC3
inchi:
InChI=1/C20H17NO4/c22-19(23)18(12-14-6-2-1-3-7-14)21-20(24)25-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12H2,(H,21,24)(H,22,23)


name: N-[(benzyloxy)carbonyl]-L-isoleucine, compound with dicyclohexylamine (1:1)
cas: 26699-00-3
formula: C14H19NO4.C12H23N
inchikey: QWMHUFMEYKIYPC-RLVDVTLISA-N
norman_susdat_id: NS00084781
smiles: CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3
inchi:
InChI=1/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2


name: Clofibride
cas: 26717-47-5
chebiid: CHEBI:135401
chemspiderid: 140758
dtxsid: DTXSID1022841
formula: C16H22Cl1N1O4
inchikey: CXQGFLBVUNUQIA-UHFFFAOYSA-N
norman_susdat_id: NS00028159
pubchem_cid: 160134
smiles: CN(C)C(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
inchi:
InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)21-11-5-6-14(19)18(3)4/h7-10H,5-6,11H2,1-4H3


name: Isobutyl icosanoate
cas: 26718-88-7
chemspiderid: 2283462
dtxsid: DTXSID50181217
formula: C24H48O2
inchikey: WKVHKJPNBFWXHD-UHFFFAOYSA-N
norman_susdat_id: NS00028163
pubchem_cid: 3015297
smiles: CCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C
inchi:
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)26-22-23(2)3/h23H,4-22H2,1-3H3


name: Eicosanoic acid, isopropyl eyster
cas: 26718-90-1
chemspiderid: 2283463
dtxsid: DTXSID10181218
formula: C23H46O2
inchikey: WLMTYYBAGSMBPQ-UHFFFAOYSA-N
norman_susdat_id: NS00013784
pubchem_cid: 3015298
smiles: CCCCCCCCCCCCCCCCCCCC(=O)OC(C)C
inchi:
InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22(2)3/h22H,4-21H2,1-3H3


name: Eicosanoic acid, butyl ester
cas: 26718-91-2
chemspiderid: 105307
dtxsid: DTXSID3067239
formula: C24H48O2
inchikey: WZRBMKGXBAVSQL-UHFFFAOYSA-N
norman_susdat_id: NS00028164
pubchem_cid: 117846
smiles: CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
inchi:
InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3


name: Propyl docosanoate
cas: 26718-94-5
chemspiderid: 2283464
dtxsid: DTXSID70181219
formula: C25H50O2
inchikey: OKYLPPWXDVPDBZ-UHFFFAOYSA-N
norman_susdat_id: NS00020407
pubchem_cid: 3015299
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC
inchi:
InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24-4-2/h3-24H2,1-2H3


name: Docosanoic acid, isopropyl ester
cas: 26718-95-6
chemspiderid: 2283465
dtxsid: DTXSID80181220
formula: C25H50O2
inchikey: IZQHTCYPZWOMFQ-UHFFFAOYSA-N
norman_susdat_id: NS00013785
pubchem_cid: 3015300
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C
inchi:
InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26)27-24(2)3/h24H,4-23H2,1-3H3


name: Docosanoic acid, butyl ester
cas: 26718-96-7
chemspiderid: 105308
dtxsid: DTXSID2067240
formula: C26H52O2
inchikey: SLUTZBDOCDXRSH-UHFFFAOYSA-N
norman_susdat_id: NS00028165
pubchem_cid: 117847
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC
inchi:
InChI=1S/C26H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h3-25H2,1-2H3


name: Isobutyl docosanoate
cas: 26719-01-7
chemspiderid: 2283466
dtxsid: DTXSID40181221
formula: C26H52O2
inchikey: MLOOWFAQLIBHEP-UHFFFAOYSA-N
norman_susdat_id: NS00028166
pubchem_cid: 3015301
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C
inchi:
InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h25H,4-24H2,1-3H3


name: Diheptadecyl adipate
cas: 26719-27-7
chemspiderid: 2283467
dtxsid: DTXSID00181222
formula: C40H78O4
inchikey: YKRHAKBRUIVEOW-UHFFFAOYSA-N
norman_susdat_id: NS00028167
pubchem_cid: 3015302
smiles: CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-43-39(41)35-31-32-36-40(42)44-38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3


name: Nonanedioic acid, ditridecyl ester
cas: 26719-40-4
chemspiderid: 105309
dtxsid: DTXSID7067241
formula: C35H68O4
inchikey: ZOCXJFXOLXCHIM-UHFFFAOYSA-N
norman_susdat_id: NS00028168
pubchem_cid: 117848
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-24-28-32-38-34(36)30-26-22-21-23-27-31-35(37)39-33-29-25-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3


name: Ditetradecyl azelate
cas: 26719-41-5
dtxsid: DTXSID70949533
formula: C37H72O4
inchikey: NUOFABKIKBXCRE-UHFFFAOYSA-N
norman_susdat_id: NS00050633
pubchem_cid: 17854975
smiles: O=C(OCCCCCCCCCCCCCC)CCCCCCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C37H72O4/c1-3-5-7-9-11-13-15-17-19-21-26-30-34-40-36(38)32-28-24-23-25-29-33-37(39)41-35-31-27-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3


name: Ditetradecyl sebacate
cas: 26719-47-1
chemspiderid: 110017
dtxsid: DTXSID60181223
formula: C38H74O4
inchikey: DVXXGJIEZNWCNE-UHFFFAOYSA-N
norman_susdat_id: NS00028169
pubchem_cid: 123420
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-23-27-31-35-41-37(39)33-29-25-21-22-26-30-34-38(40)42-36-32-28-24-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: 3-dodecanoyloxypropyl dodecanoate
cas: 26719-54-0
dtxsid: DTXSID80336930
formula: C27H52O4
inchikey: RREUCPUHQJKHDY-UHFFFAOYSA-N
norman_susdat_id: NS00095997
smiles: CCCCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C27H52O4/c1-3-5-7-9-11-13-15-17-19-22-26(28)30-24-21-25-31-27(29)23-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3


name: Didodecyl glutarate
cas: 26719-91-5
chemspiderid: 2283468
dtxsid: DTXSID00181227
formula: C29H56O4
inchikey: CSWBDZQGMLFXJL-UHFFFAOYSA-N
norman_susdat_id: NS00028170
pubchem_cid: 3015303
smiles: CCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C29H56O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3


name: Nonanedioic acid, didodecyl ester
cas: 26719-99-3
chemspiderid: 105311
dtxsid: DTXSID7067243
formula: C33H64O4
inchikey: JTJNOHFRNUDPDF-UHFFFAOYSA-N
norman_susdat_id: NS00028171
pubchem_cid: 117850
smiles: CCCCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-22-26-30-36-32(34)28-24-20-19-21-25-29-33(35)37-31-27-23-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3


name: 2-Naphthalenecarboxamide, N-(2,4-dimethoxyphenyl)-3-hydroxy-
cas: 2672-77-7
chemspiderid: 68387
dtxsid: DTXSID7062586
formula: C19H17N1O4
inchikey: BAROIKGEGXXQJO-UHFFFAOYSA-N
norman_susdat_id: NS00028181
pubchem_cid: 75882
smiles: COc1ccc(NC(=O)c2c(O)cc3ccccc3c2)c(OC)c1
inchi:
InChI=1S/C19H17NO4/c1-23-14-7-8-16(18(11-14)24-2)20-19(22)15-9-12-5-3-4-6-13(12)10-17(15)21/h3-11,21H,1-2H3,(H,20,22)


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxy-3-dibenzofuranyl)-
cas: 2672-81-3
chemspiderid: 68388
dtxsid: DTXSID2062587
formula: C24H17N1O4
inchikey: CZPWGRUUELIMPA-UHFFFAOYSA-N
norman_susdat_id: NS00021093
pubchem_cid: NA
smiles: COc1c(NC(=O)c2c(O)cc3ccccc3c2)cc2oc3ccccc3c2c1
inchi:
InChI=1S/C24H17NO4/c1-28-23-12-17-16-8-4-5-9-21(16)29-22(17)13-19(23)25-24(27)18-10-14-6-2-3-7-15(14)11-20(18)26/h2-13,26H,1H3,(H,25,27)


name: Ditetradecyl succinate
cas: 26720-09-2
chemspiderid: 2283469
dtxsid: DTXSID90181231
formula: C32H62O4
inchikey: QZTCMCYWQLXVRK-UHFFFAOYSA-N
norman_susdat_id: NS00028172
pubchem_cid: 3015304
smiles: CCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-31(33)27-28-32(34)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3


name: Dipentadecyl succinate
cas: 26720-10-5
chemspiderid: 2283470
dtxsid: DTXSID50181232
formula: C34H66O4
inchikey: WVKGLXRJHMDLAM-UHFFFAOYSA-N
norman_susdat_id: NS00028173
pubchem_cid: 3015305
smiles: CCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-37-33(35)29-30-34(36)38-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Ditridecyl glutarate
cas: 26720-13-8
chemspiderid: 2283471
dtxsid: DTXSID10181233
formula: C31H60O4
inchikey: FVBSDVQDRFRKRF-UHFFFAOYSA-N
norman_susdat_id: NS00028174
pubchem_cid: 3015306
smiles: CCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C31H60O4/c1-3-5-7-9-11-13-15-17-19-21-23-28-34-30(32)26-25-27-31(33)35-29-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3


name: Ditetradecyl glutarate
cas: 26720-14-9
chemspiderid: 2283472
dtxsid: DTXSID70181234
formula: C33H64O4
inchikey: IJAKILMUHVCHPT-UHFFFAOYSA-N
norman_susdat_id: NS00028175
pubchem_cid: 3015307
smiles: CCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C33H64O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-36-32(34)28-27-29-33(35)37-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3


name: Dipentadecyl glutarate
cas: 26720-15-0
chemspiderid: 2283473
dtxsid: DTXSID30181235
formula: C35H68O4
inchikey: NPEZJEDWVLVWIP-UHFFFAOYSA-N
norman_susdat_id: NS00028176
pubchem_cid: 3015308
smiles: CCCCCCCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-38-34(36)30-29-31-35(37)39-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3


name: Ditetradecyl adipate
cas: 26720-19-4
chemspiderid: 105312
dtxsid: DTXSID2067244
formula: C34H66O4
inchikey: QZQPCVVMCYMSFX-UHFFFAOYSA-N
norman_susdat_id: NS00028177
pubchem_cid: 117851
smiles: CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-37-33(35)29-25-26-30-34(36)38-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Dipentadecyl adipate
cas: 26720-20-7
chemspiderid: 105313
dtxsid: DTXSID7067245
formula: C36H70O4
inchikey: OHRKDLWUOVWNLM-UHFFFAOYSA-N
norman_susdat_id: NS00028178
pubchem_cid: 117852
smiles: CCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-39-35(37)31-27-28-32-36(38)40-34-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: Dicetyl adipate
cas: 26720-21-8
chemspiderid: 30985
dtxsid: DTXSID2067246
formula: C38H74O4
inchikey: RQIKFACUZHNEDV-UHFFFAOYSA-N
norman_susdat_id: NS00013574
pubchem_cid: 33586
smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-41-37(39)33-29-30-34-38(40)42-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Hexyl docosanoate
cas: 26720-37-6
chemspiderid: 2283474
dtxsid: DTXSID90181236
formula: C28H56O2
inchikey: SZHHTCPIUIMTIX-UHFFFAOYSA-N
norman_susdat_id: NS00028179
pubchem_cid: 3015309
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC
inchi:
InChI=1S/C28H56O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h3-27H2,1-2H3


cas: 26724-10-7
dtxsid: DTXSID10949537
formula: C19H14O8
inchikey: QCXJLIINTHHTBS-UHFFFAOYSA-N
norman_susdat_id: NS00050634
pubchem_cid: 56842005
smiles: O=CC1=C(OC)C=C(C=2C(=O)OC3=C(OC12)C4=C(C=C3C)C(=O)OC4O)C
name:
1,3-dihydro-1-hydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

inchi:
InChI=1/C19H14O8/c1-7-5-11(24-3)10(6-20)15-12(7)18(22)26-14-8(2)4-9-13(16(14)25-15)19(23)27-17(9)21/h4-6,19,23H,1-3H3


name: Sodium bis(tridecyl) sulfobutanedioate
cas: 2673-22-5
chemspiderid: 56238
dtxsid: DTXSID7050408
formula: C30H58O7S1
inchikey: ICAXUQIEOXHXKK-UHFFFAOYSA-N
norman_susdat_id: NS00013648
pubchem_cid: 62457
smiles: [Na+].CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)[S]([O-])(=O)=O
inchi:
InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1


name: HEXANEDIOL DISTEA- RATE
cas: 26730-92-7
chemspiderid: 105314
formula: C42H82O4
inchikey: TWXPKKOLCJDQBY-UHFFFAOYSA-N
norman_susdat_id: NS00013740
pubchem_cid: 117853
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(43)45-39-35-31-32-36-40-46-42(44)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3


name: Fluoroether E4
cas: 26738-51-2
chemspiderid: 104848
dtxsid: DTXSID00880243
formula: C14H1F29O4
inchikey: NOCLWIPRQIWFMR-UHFFFAOYSA-N
norman_susdat_id: NS00018886
pubchem_cid: 117327
inchi:
InChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H

smiles:
FC(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


name: Octyloxostannane
cas: 26738-80-7
dtxsid: DTXSID40181246
formula: C8H17OSn
inchikey: KGHLYBKDIPRXHA-UHFFFAOYSA-N
norman_susdat_id: NS00050147
pubchem_cid: 6335876
smiles: O=[Sn]CCCCCCCC
inchi:
InChI=1/C8H17.O.Sn/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;;/q;;+1/rC8H17OSn/c1-2-3-4-5-6-7-8-10-9/h2-8H2,1H3/q+1


name: Chlorodihexylaluminium
cas: 2674-15-9
formula: C12H26AlCl
inchikey: DFGSACBYSGUJDZ-UHFFFAOYSA-M
norman_susdat_id: NS00083618
smiles: CCCCCC[Al](Cl)CCCCCC
inchi:
InChI=1/2C6H13.Al.ClH/c2*1-3-5-6-4-2;;/h2*1,3-6H2,2H3;;1H/q;;+1;/p-1/rC12H26AlCl/c1-3-5-7-9-11-13(14)12-10-8-6-4-2/h3-12H2,1-2H3


name: Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite
cas: 26741-53-7
chemspiderid: 30988541
dtxsid: DTXSID2027911
formula: C33H50O6P2
inchikey: AIBRSVLEQRWAEG-DAUDOBNLSA-N
norman_susdat_id: NS00005211
pubchem_cid: NA
smiles: CC(C)(C)c1ccc(O[P@]2OC[C@]3(CO[P@](Oc4ccc(cc4C(C)(C)C)C(C)(C)C)OC3)CO2)c(c1)C(C)(C)C
inchi:
InChI=1S/C33H50O6P2/c1-29(2,3)23-13-15-27(25(17-23)31(7,8)9)38-40-34-19-33(20-35-40)21-36-41(37-22-33)39-28-16-14-24(30(4,5)6)18-26(28)32(10,11)12/h13-18H,19-22H2,1-12H3/t33-,40-,41-/m1/s1


name: 2,4-dioxo-1,3-diazetidine-1,3-bis(methyl-m-phenylene) diisocyanate
cas: 26747-90-0
dtxsid: DTXSID50885369
formula: C18H12N4O4
inchikey: LOCPTSFJZDIICR-UHFFFAOYSA-N
norman_susdat_id: NS00050148
pubchem_cid: 93102
smiles: O=C=NC1=CC(=CC=C1C)N2C(=O)N(C2=O)C3=CC=C(C(N=C=O)=C3)C
inchi:
InChI=1/C18H12N4O4/c1-11-3-5-13(7-15(11)19-9-23)21-17(25)22(18(21)26)14-6-4-12(2)16(8-14)20-10-24/h3-8H,1-2H3


name: 1-methyl-1-phenylethyl peroxyneodecanoate
cas: 26748-47-0
dtxsid: DTXSID6029337
formula: C19H30O3
inchikey: UTFZIZRBHWOWMD-UHFFFAOYSA-N
norman_susdat_id: NS00050675
pubchem_cid: 22833391
smiles: O=C(OOC(C=1C=CC=CC1)(C)C)C(C)(CC)CCC(C)C
inchi:
InChI=1/C19H30O3/c1-7-19(6,14-13-15(2)3)17(20)21-22-18(4,5)16-11-9-8-10-12-16/h8-12,15H,7,13-14H2,1-6H3


name: Sivifene
cas: 2675-35-6
formula: C19H14N4O6
inchikey: YOQPCWIXYUNEET-UHFFFAOYSA-N
norman_susdat_id: NS00069561
smiles: O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2)c2ccc(O)cc2)c([N+](=O)[O-])c1
inchi:
InChI=1S/C19H14N4O6/c24-15-6-1-12(2-7-15)19(13-3-8-16(25)9-4-13)21-20-17-10-5-14(22(26)27)11-18(17)23(28)29/h1-11,20,24-25H


name: Alibendol
cas: 26750-81-2
chebiid: CHEBI:135023
chemspiderid: 64927
dtxsid: DTXSID4046490
formula: C13H17N1O4
inchikey: UMJHTFHIQDEGKB-UHFFFAOYSA-N
norman_susdat_id: NS00028185
pubchem_cid: 71916
smiles: COc1c(O)c(cc(CC=C)c1)C(=O)NCCO
inchi:
InChI=1S/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)


name: Tris[[(1-ethylpyrrolidin-2-yl)methyl][(3-methoxybenzo[b]thien-2-yl)carbonyl]ammonium] phosphate
cas: 26759-40-0
dtxsid: DTXSID20949568
formula: C17H22N2O2S
inchikey: MMQUUBQGBKPDKU-UHFFFAOYSA-N
norman_susdat_id: NS00051492
pubchem_cid: 19008809
inchi:
InChI=1/3C17H22N2O2S.H3O4P/c3*1-3-19-10-6-7-12(19)11-18-17(20)16-15(21-2)13-8-4-5-9-14(13)22-16;1-5(2,3)4/h3*4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20);(H3,1,2,3,4)

smiles:
O=C(C=1SC=2C=CC=CC2C1OC)[NH2+]CC3N(CC)CCC3.O=C(C=1SC=2C=CC=CC2C1OC)[NH2+]CC3N(CC)CCC3.O=C(C=1SC=2C=CC=CC2C1OC)[NH2+]CC3N(CC)CCC3.O=P([O-])([O-])[O-]


name: Diisodecyl phthalate (DIDP)
cas: 26761-40-0
chebiid: CHEBI:34709
chemspiderid: 30996
formula: C28H46O4
inchikey: ZVFDTKUVRCTHQE-UHFFFAOYSA-N
norman_susdat_id: NS00006613
pubchem_cid: 33599
smiles: CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3


name: 9-Octadecenoic acid (9Z)-, isooctyl ester
cas: 26761-50-2
chemspiderid: 21173128
dtxsid: DTXSID6067250
formula: C26H50O2
inchikey: SAUIGQBKPDQYHL-UHFFFAOYSA-N
norman_susdat_id: NS00020620
pubchem_cid: 117863
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3/b12-11-


name: Butylnaphthalenesulphonic acid
cas: 26761-78-4
dtxsid: DTXSID2048034
formula: C14H16O3S
inchikey: BMRVLXHIZWDOOK-UHFFFAOYSA-N
norman_susdat_id: NS00084313
smiles: CCCCc1ccc2ccccc2c1S(=O)(=O)O
inchi:
InChI=1/C14H16O3S/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17)


name: Propylnaphthalenesulphonic acid
cas: 26761-79-5
chemspiderid: 2283482
dtxsid: DTXSID10181273
formula: C13H14O3S1
inchikey: FWMKPJYJDJSEHR-UHFFFAOYSA-N
norman_susdat_id: NS00028191
pubchem_cid: 3015318
smiles: CCCc1c(c2ccccc2cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H14O3S/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)17(14,15)16/h3-4,6-9H,2,5H2,1H3,(H,14,15,16)


name: Phenol, octyl-, dihydrogen phosphate
cas: 26762-90-3
chemspiderid: 105322
dtxsid: DTXSID1067251
formula: C14H23O4P1
inchikey: LCQIKBDZONOEOA-UHFFFAOYSA-N
norman_susdat_id: NS00028192
pubchem_cid: 117864
smiles: CCCCCCCCc1ccc(OP(=O)(O)O)cc1
inchi:
InChI=1S/C14H23O4P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18-19(15,16)17/h9-12H,2-8H2,1H3,(H2,15,16,17)


name: Aminoviolanthrone
cas: 26763-69-9
dtxsid: DTXSID40894687
formula: C34H17NO2
inchikey: VZMULMSIWMLZLC-UHFFFAOYSA-N
norman_susdat_id: NS00050678
pubchem_cid: 117865
smiles: O=C1C=2C=CC=CC2C=3C=CC=4C5=CC=C6C=7C=C(N)C=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86
inchi:
InChI=1/C34H17NO2/c35-16-5-6-25-28(15-16)23-10-9-20-19-8-7-18-17-3-1-2-4-24(17)33(36)26-13-11-21(29(19)31(18)26)22-12-14-27(34(25)37)32(23)30(20)22/h1-15H,35H2


name: 10:2 fluorotelomer unsaturated acid
cas: 26764-41-0
chemspiderid: 35523321
formula: C12H2F20O2
inchikey: OGNPKTMXAFCAFU-OWOJBTEDSA-N
norman_susdat_id: NS00011387
pubchem_cid: NA
smiles: 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)C(=O)O
inchi:
InChI=1S/C12H2F20O2/c13-2(1-3(33)34)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h1H,(H,33,34)/b2-1+


name: 11-(Nonafluorobutyl)-9,10-dihydro-9,10-(epithiomethano)anthracene
cas: 267648-90-8
dtxsid: DTXSID00896723
formula: C19H11F9S
inchikey: QJNFXQRNAOKHEU-UHFFFAOYSA-N
norman_susdat_id: NS00109083
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1SC2c3ccccc3C1c1ccccc21
inchi:
InChI=1/C19H11F9S/c20-16(21,17(22,23)18(24,25)19(26,27)28)15-13-9-5-1-3-7-11(9)14(29-15)12-8-4-2-6-10(12)13/h1-8,13-15H


name: 5,6-dihydrofluoranthene-6a(4H)-methanol
cas: 26765-68-4
dtxsid: DTXSID40949580
formula: C17H16O
inchikey: REEDTDAAIXYAOV-UHFFFAOYSA-N
norman_susdat_id: NS00050704
pubchem_cid: 56843270
smiles: OCC12C=3C=CC=CC3C4=CC=CC(=C41)CCC2
inchi:
InChI=1/C17H16O/c18-11-17-10-4-6-12-5-3-8-14(16(12)17)13-7-1-2-9-15(13)17/h1-3,5,7-9,18H,4,6,10-11H2


name: 1-(naphthylsulphonyl)-5-oxo-L-proline
cas: 26774-80-1
dtxsid: DTXSID40949585
formula: C15H13NO5S
inchikey: CJHLTELXCRYESZ-LBPRGKRZSA-N
norman_susdat_id: NS00050679
pubchem_cid: 57376482
smiles: O=C(O)C1N(C(=O)CC1)S(=O)(=O)C2=CC=CC=3C=CC=CC32
inchi:
InChI=1/C15H13NO5S/c17-14-9-8-12(15(18)19)16(14)22(20,21)13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9H2,(H,18,19)


name: Sodium (R)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
cas: 26774-89-0
dtxsid: DTXSID00949586
formula: C13H17NO4
inchikey: XWVDGMIXJIIFTO-UTONKHPSSA-M
norman_susdat_id: NS00050680
pubchem_cid: 2733739
smiles: [Na+].O=C(OC)C=C(NC(C(=O)[O-])C1=CCC=CC1)C
inchi:
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1


name: Epicillin
cas: 26774-90-3
chebiid: CHEBI:58974
chemspiderid: 64486
dtxsid: DTXSID60181288
formula: C16H21N3O4S1
inchikey: RPBAFSBGYDKNRG-NJBDSQKTSA-N
norman_susdat_id: NS00011618
pubchem_cid: 71392
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C
inchi:
InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1


name: 16,17-Dimethoxyanthra(9,1,2-cde)benzo(rst)pentaphene-5,10-diyl bis(hydrogen sulphate)
cas: 2678-71-9
chemspiderid: 68393
dtxsid: DTXSID10181293
formula: C36H22O10S2
inchikey: KCMFSDZVTDTUCH-UHFFFAOYSA-N
norman_susdat_id: NS00028196
pubchem_cid: 75888
smiles: COc1c2c3c(OC)cc4c5ccccc5c(OS(=O)(=O)O)c5ccc(c6ccc7c(OS(=O)(=O)O)c8ccccc8c(c1)c7c26)c3c45
inchi:
InChI=1S/C36H22O10S2/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42)


cas: 26786-32-3
chebiid: CHEBI:31780
formula: C26H27ClN2O.ClH
inchikey: ZWZIQPOLMDPIQM-UHFFFAOYSA-N
norman_susdat_id: NS00084021
smiles: Cl.CN(CCCN1c2ccccc2CCc3ccccc13)CC(=O)c4ccc(Cl)cc4
name:
1-(4-chlorophenyl)-2-[[3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylamino]ethan-1-one monohydrochloride

inchi:
InChI=1/C26H27ClN2O.ClH/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29;/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3;1H


name: Methyl 6-formyl-4,7,9-trihydroxy-1-phenazinecarboxylate
cas: 26786-84-5
chemspiderid: 16736799
formula: C15H10N2O6
inchikey: CRANETCJDDEINO-UHFFFAOYSA-N
norman_susdat_id: NS00011758
pubchem_cid: NA
smiles: COC(=O)c1ccc(c2c1nc3c(cc(c(c3n2)C=O)O)O)O
inchi:
InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3


name: Amoxicillin
cas: 26787-78-0
chemspiderid: 2086
dtxsid: DTXSID3037044
formula: C16H19N3O5S1
inchikey: LSQZJLSUYDQPKJ-UHFFFAOYSA-N
norman_susdat_id: NS00008883
pubchem_cid: 4663997
smiles: CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O
eea_notation: CAS_26787-78-0
inchi:
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)


name: Sodium (R)-(4-hydroxyphenyl)[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]acetate
cas: 26787-84-8
formula: C13H15NO5.Na
inchikey: GOKJACUSSDJUBD-UTONKHPSSA-M
norman_susdat_id: NS00084380
smiles: [Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OC)C([O-])=O
inchi:
InChI=1/C13H15NO5.Na/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1


cas: 26789-26-4
dtxsid: DTXSID6067252
formula: C34H20Cl4N4O3
inchikey: JMKYXIXWWSRPBF-UHFFFAOYSA-N
norman_susdat_id: NS00051234
pubchem_cid: NA
smiles: O=C(NC1=CC(Cl)=C(Cl)C=C1Cl)C2=CC=C(Cl)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC=CC=6C=CC=CC65)=C2
name:
2-Naphthalenecarboxamide, 4-[[2-chloro-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]-3-hydroxy-N-1-naphthalenyl-

inchi:
InChI=1/C34H20Cl4N4O3/c35-24-13-12-20(33(44)40-29-17-26(37)25(36)16-27(29)38)15-30(24)41-42-31-22-10-4-2-7-19(22)14-23(32(31)43)34(45)39-28-11-5-8-18-6-1-3-9-21(18)28/h1-17,43H,(H,39,45)(H,40,44)


name: 3,7-bis(dimethylamino)-4-nitrophenothiazin-5-ium chloride
cas: 2679-01-8
chebiid: CHEBI:87675
dtxsid: DTXSID70949598
formula: C16H18N4O2S
inchikey: YYGBVRCTHASBKD-UHFFFAOYSA-M
norman_susdat_id: NS00049330
pubchem_cid: 75889
smiles: [Cl-].O=[N+]([O-])C=1C2=[S+]C3=CC(=CC=C3N=C2C=CC1N(C)C)N(C)C
inchi:
InChI=1/C16H17N4O2S.ClH/c1-18(2)10-5-6-11-14(9-10)23-16-12(17-11)7-8-13(19(3)4)15(16)20(21)22;/h5-9H,1-4H3;1H/q+1;/p-1


name: 1-((3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolinium iodide
cas: 2679-26-7
dtxsid: DTXSID80949600
formula: C21H24NO4
inchikey: NEDMOWXPUGKQAV-UHFFFAOYSA-M
norman_susdat_id: NS00048723
pubchem_cid: 165012
smiles: [I-].O(C1=CC=C(C=C1OC)CC2=C3C=C(OC)C(OC)=CC3=CC=[N+]2C)C
inchi:
InChI=1/C21H24NO4.HI/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3;/h6-9,11-13H,10H2,1-5H3;1H/q+1;/p-1


name: Xanthumin
cas: 26791-72-0
chebiid: CHEBI:10071
chemspiderid: 390789
dtxsid: DTXSID40331800
formula: C17H22O5
inchikey: DPSCQKGSAHTWSP-LDYRWJSCSA-N
norman_susdat_id: NS00094711
pubchem_cid: 442335
smiles: C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC=C1[C@@H](CC(C)=O)OC(C)=O
inchi:
InChI=1S/C17H22O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,14-16H,3,6-8H2,1-2,4H3/t9-,14+,15+,16+/m0/s1


name: 2-((Carboxymethyl)thio)-4,5-dimethoxybenzoic acid
cas: 26791-94-6
chemspiderid: 2283484
dtxsid: DTXSID40181302
formula: C11H12O6S1
inchikey: PYMSTJLTQHAJIG-UHFFFAOYSA-N
norman_susdat_id: NS00028199
pubchem_cid: 3015322
smiles: COc1cc(SCC(=O)O)c(cc1OC)C(=O)O
inchi:
InChI=1S/C11H12O6S/c1-16-7-3-6(11(14)15)9(4-8(7)17-2)18-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)


name: Indapamide
cas: 26807-65-8
chebiid: CHEBI:5893
chemspiderid: 3574
dtxsid: DTXSID7044633
formula: C16H16Cl1N3O3S1
inchikey: NDDAHWYSQHTHNT-UHFFFAOYSA-N
norman_susdat_id: NS00000696
pubchem_cid: 3702
smiles: CC1CC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N
inchi:
InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)


name: Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, monosodium salt, (11ß)-
cas: 2681-16-5
formula: C21H29O8P.Na
inchikey: WDKXLAIROMOVNT-WDCKKOMHSA-N
norman_susdat_id: NS00083277
smiles: [Na+].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)COP(=O)(O)O
inchi:
InChI=1/C21H29O8P.Na/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);/q;+1


name: Cycloheptatrienylium hexachloroantimonate(1-)
cas: 26810-97-9
formula: C7H7.Cl6Sb
inchikey: OKEPGJWIIBYKLG-UHFFFAOYSA-H
norman_susdat_id: NS00084666
smiles: Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl.C1C=CC=CC=[C+]1
inchi:
InChI=1/C7H8.6ClH.Sb/c1-2-4-6-7-5-3-1;;;;;;;/h1-6H,7H2;6*1H;/q+1;;;;;;;+5/p-6/rC7H8.Cl6Sb/c1-2-4-6-7-5-3-1;1-7(2,3,4,5)6/h1-6H,7H2;/q+1;-1


name: Udenafil
cas: 268203-93-6
chebiid: CHEBI:135926
chemspiderid: 5293720
formula: C25H36N6O4S1
inchikey: IYFNEFQTYQPVOC-UHFFFAOYSA-N
norman_susdat_id: NS00010122
pubchem_cid: 6918523
smiles: CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)NCCC1CCCN1C
inchi:
InChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)


name: 2-ethylhexyl [(butylthioxostannyl)thio]acetate
cas: 26821-65-8
dtxsid: DTXSID80885372
formula: C14H28O2S2Sn
inchikey: QXSAGDVASKPEQM-UHFFFAOYSA-M
norman_susdat_id: NS00052004
pubchem_cid: 16684283
smiles: O=C(OCC(CC)CCCC)CS[Sn](=S)CCCC
inchi:
InChI=1/C10H20O2S.C4H9.S.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;;/h9,13H,3-8H2,1-2H3;1,3-4H2,2H3;;/q;;;+1/p-1/rC14H28O2S2Sn/c1-4-7-9-13(6-3)11-16-14(15)12-18-19(17)10-8-5-2/h13H,4-12H2,1-3H3


name: 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-
cas: 2683-82-1
chemspiderid: 10445887
dtxsid: DTXSID2062589
formula: C36H46N4
inchikey: HCIIFBHDBOCSAF-UHFFFAOYSA-N
norman_susdat_id: NS00028205
pubchem_cid: NA
smiles: CCc1c(CC)c2=CC3=NC(=CC4=NC(=Cc5c(CC)c(CC)c([nH]5)C=c1[nH]2)C(=C4CC)CC)C(=C3CC)CC
inchi:
InChI=1S/C36H46N4/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30/h17-20,37-38H,9-16H2,1-8H3/b29-17-,30-18-,31-17?,32-18-,33-19?,34-20-,35-19-,36-20-


name: Sodium dinonylnaphthalenesulphonate
cas: 26834-28-6
formula: C28H44O3S.Na
inchikey: DHQIJSYTNIUZRY-UHFFFAOYSA-M
norman_susdat_id: NS00084667
smiles: [Na+].CCCCCCCCCc1cc2ccccc2c(c1CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C28H44O3S.Na/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: 2-methoxy(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 26834-32-2
formula: C17H24O2
inchikey: HCLWUTYGHSRLCR-UHFFFAOYSA-N
norman_susdat_id: NS00050771
pubchem_cid: 21119655
smiles: OC1=CC=CC(=C1OC)C2CC3CCC2(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(18)15(12)19-4/h5-7,11,13,18H,8-10H2,1-4H3


name: Bis(2-ethylhexyl) dihydrogen diphosphate
cas: 26836-28-2
dtxsid: DTXSID40885373
formula: C16H36O7P2
inchikey: LMPDTDULXWWGSC-UHFFFAOYSA-N
norman_susdat_id: NS00050772
pubchem_cid: 14178488
smiles: O=P(O)(OCC(CC)CCCC)OP(=O)(O)OCC(CC)CCCC
inchi:
InChI=1/C16H36O7P2/c1-5-9-11-15(7-3)13-21-24(17,18)23-25(19,20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)(H,19,20)


name: Sucrose tripalmitate
cas: 26836-42-0
dtxsid: DTXSID80181326
formula: C60H112O14
inchikey: QCRVNFXOVCADOQ-UWVXNQQFSA-N
norman_susdat_id: NS00051235
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCCCC)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCC
inchi:
InChI=1/C60H112O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(64)70-56-54(67)49(46-61)69-59(57(56)71-52(65)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)74-60(48-63)58(55(68)50(47-62)73-60)72-53(66)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h49-50,54-59,61-63,67-68H,4-48H2,1-3H3


name: D-glucitol monostearate
cas: 26836-47-5
formula: C24H48O7
inchikey: KEFRSFBGIAUBNZ-CBJLPSGESA-N
norman_susdat_id: NS00050773
pubchem_cid: 168612
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h20-21,23-27,29-30H,2-19H2,1H3


name: Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium hydroxide
cas: 26837-33-2
formula: C18H35N2O3
inchikey: GOJYXPWOUJYXJC-UHFFFAOYSA-N
norman_susdat_id: NS00051213
pubchem_cid: 105213
smiles: [Na+].[OH-].O=C(O)C[N+]1(C(=NCC1)CCCCCCCCCCC)CCO
inchi:
InChI=1/C18H34N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;/h21H,2-16H2,1H3;;1H2/q;+1;


name: (S)-Timolol
cas: 26839-75-8
chebiid: CHEBI:39465
chemspiderid: 5278
dtxsid: DTXSID4023674
formula: C13H24N4O3S1
inchikey: BLJRIMJGRPQVNF-UHFFFAOYSA-N
norman_susdat_id: NS00000575
pubchem_cid: 5478
smiles: CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1
inchi:
InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3


name: (+)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole maleate
cas: 26839-77-0
formula: C13H24N4O3S.C4H4O4
inchikey: WLRMANUAADYWEA-BTJKTKAUSA-N
norman_susdat_id: NS00084643
smiles: CC(C)(C)NCC(O)COc1nsnc1N2CCOCC2.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C13H24N4O3S.C4H4O4/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: 3-Chloro-N-(3-(diethylamino)phenyl)propionamide
cas: 26841-42-9
chemspiderid: 2283487
dtxsid: DTXSID70181330
formula: C13H19Cl1N2O1
inchikey: HSROMTVYEHQKJT-UHFFFAOYSA-N
norman_susdat_id: NS00028207
pubchem_cid: 3015325
smiles: CCN(CC)c1cccc(NC(=O)CCCl)c1
inchi:
InChI=1S/C13H19ClN2O/c1-3-16(4-2)12-7-5-6-11(10-12)15-13(17)8-9-14/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)


cas: 26841-50-9
dtxsid: DTXSID00949627
formula: C33H26Cl2N8O2
inchikey: LNVYIWCCZZMTNX-UHFFFAOYSA-N
norman_susdat_id: NS00050775
pubchem_cid: 56843319
smiles: O=C1N(N=C(C)C1N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)C)C(Cl)=C3)C=6C=CC=CC6
name:
4-[[3,3'-dichloro-4'-[[4,5-dihydro-3-methyl-5-oxo-1-(p-tolyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-4-yl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one

inchi:
InChI=1/C33H26Cl2N8O2/c1-19-9-13-25(14-10-19)43-33(45)31(21(3)41-43)39-37-29-16-12-23(18-27(29)35)22-11-15-28(26(34)17-22)36-38-30-20(2)40-42(32(30)44)24-7-5-4-6-8-24/h4-18,30-31H,1-3H3


name: Indoramin
cas: 26844-12-2
chebiid: CHEBI:135470
chemspiderid: 31014
dtxsid: DTXSID7048370
formula: C22H25N3O1
inchikey: JXZZEXZZKAWDSP-UHFFFAOYSA-N
norman_susdat_id: NS00003913
pubchem_cid: 33625
smiles: O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
inchi:
InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)


name: Sodium 3-[[4-[(4-hydroxyphenyl)azo]-5-methoxy-o-tolyl]azo]-4-methoxybenzenesulphonate
cas: 26845-91-0
dtxsid: DTXSID1067255
formula: C21H20N4O6S
inchikey: FAFWAUHJVYRPSU-UHFFFAOYSA-M
norman_susdat_id: NS00052005
pubchem_cid: 117874
smiles: [Na+].O=S(=O)([O-])C1=CC=C(OC)C(N=NC=2C=C(OC)C(N=NC3=CC=C(O)C=C3)=CC2C)=C1
inchi:
InChI=1/C21H20N4O6S.Na/c1-13-10-18(24-22-14-4-6-15(26)7-5-14)21(31-3)12-17(13)23-25-19-11-16(32(27,28)29)8-9-20(19)30-2;/h4-12,26H,1-3H3,(H,27,28,29);/q;+1/p-1


name: Dibenzo[a,h]phenazine-1,8-diol
cas: 26846-41-3
chemspiderid: 105330
dtxsid: DTXSID6067256
formula: C20H12N2O2
inchikey: MHKAOXNMFIOVAW-UHFFFAOYSA-N
norman_susdat_id: NS00028209
pubchem_cid: NA
smiles: Oc1cccc2c1c1c([nH]c3c4c(=O)cccc4ccc3n1)cc2
inchi:
InChI=1S/C20H12N2O2/c23-15-5-1-3-11-7-9-13-19(17(11)15)21-14-10-8-12-4-2-6-16(24)18(12)20(14)22-13/h1-10,21,24H


name: 2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-
cas: 26848-40-8
chemspiderid: 105332
dtxsid: DTXSID6067258
formula: C18H13N3O3
inchikey: QSDHDEWDUFYUCO-UHFFFAOYSA-N
norman_susdat_id: NS00006196
pubchem_cid: 117877
smiles: Oc1cc2ccccc2cc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
inchi:
InChI=1S/C18H13N3O3/c22-16-8-11-4-2-1-3-10(11)7-13(16)17(23)19-12-5-6-14-15(9-12)21-18(24)20-14/h1-9,22H,(H,19,23)(H2,20,21,24)


name: 2-[N-(2-acetoxyethyl)-4-chloro-2-nitro-5-[2-(propionamido)anilino]anilino]ethyl acetate
cas: 26850-12-4
formula: C23H26ClN5O7
inchikey: ZDORFLXCSSFUIE-UHFFFAOYSA-N
norman_susdat_id: NS00084405
smiles: CCC(=O)Nc1cc(ccc1N=Nc2ccc(cc2Cl)N(=O)=O)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1/C23H26ClN5O7/c1-4-23(32)25-22-14-17(28(9-11-35-15(2)30)10-12-36-16(3)31)5-8-21(22)27-26-20-7-6-18(29(33)34)13-19(20)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,32)


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 26850-47-5
formula: C19H23N4O2S.Cl
inchikey: XZLJSWJFZGBAQT-UHFFFAOYSA-M
norman_susdat_id: NS00084674
smiles: [Cl-].CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C19H23N4O2S.ClH/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;/h5-10,13,24H,4,11-12H2,1-3H3;1H/q+1;/p-1


cas: 26854-07-9
formula: C31H38O18
inchikey: CDJORBCNKJGRTC-ZAAWVBGYSA-N
norman_susdat_id: NS00084417
name:
3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, bis(2-hydroxyethyl) ether

inchi:
InChI=1/C27H30O16.C4H10O3/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;5-1-3-7-4-2-6/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;5-6H,1-4H2

smiles:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.OCCOCCO


name: Phenyloctadecanoic acid
cas: 26854-48-8
formula: C24H40O2
inchikey: MKJHXLKVZNDNDB-UHFFFAOYSA-N
norman_susdat_id: NS00051243
pubchem_cid: 22015237
smiles: O=C(O)C(C=1C=CC=CC1)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(24(25)26)22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3,(H,25,26)


name: Trisodium naphthalenetrisulphonate
cas: 26856-59-7
dtxsid: DTXSID20949644
formula: C10H8O9S3
inchikey: RHZZVWTVJHZKAH-UHFFFAOYSA-K
norman_susdat_id: NS00051271
pubchem_cid: 11970434
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=CC=CC2C(=C1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O9S3.3Na/c11-20(12,13)8-5-6-3-1-2-4-7(6)9(21(14,15)16)10(8)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3


name: Decyl octyl trimethyladipate
cas: 26856-72-4
dtxsid: DTXSID80949645
formula: C27H52O4
inchikey: WXBVNDKOGLYVOB-UHFFFAOYSA-N
norman_susdat_id: NS00051272
pubchem_cid: 21806712
smiles: O=C(OCCCCCCCC)CCC(C)C(C(=O)OCCCCCCCCCC)(C)C
inchi:
InChI=1/C27H52O4/c1-6-8-10-12-14-15-17-19-23-31-26(29)27(4,5)24(3)20-21-25(28)30-22-18-16-13-11-9-7-2/h24H,6-23H2,1-5H3


name: Propanoic acid, 3-[[bis(2-methylpropoxy)phosphinothioyl]thio]-2-methyl-
cas: 268567-32-4
chemspiderid: 23350630
dtxsid: DTXSID60870302
formula: C12H25O4P1S2
inchikey: NPRQLWMILWHEDI-UHFFFAOYSA-N
norman_susdat_id: NS00019661
pubchem_cid: 57357853
smiles: CC(C)COP(=S)(OCC(C)C)SCC(C)C(=O)O
inchi:
InChI=1S/C12H25O4PS2/c1-9(2)6-15-17(18,16-7-10(3)4)19-8-11(5)12(13)14/h9-11H,6-8H2,1-5H3,(H,13,14)/t11-/m1/s1


name: Disodium 4,4'-bis[(4,6-diamino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 26858-65-1
dtxsid: DTXSID10889601
formula: C20H20N12O6S2
inchikey: YQJJAPXXIRNMRI-SEPHDYHBSA-L
norman_susdat_id: NS00052061
pubchem_cid: 6441482
inchi:
InChI=1/C20H20N12O6S2.2Na/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20;;/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)N)N)NC=4N=C(N=C(N4)N)N


name: 1-(2,4-dinitrophenyl)-4-phenylpyridinium chloride
cas: 26863-15-0
dtxsid: DTXSID50884559
formula: C17H14N3O4
inchikey: RSXRFUAHTDVCQT-UHFFFAOYSA-M
norman_susdat_id: NS00051273
pubchem_cid: 117882
smiles: [Cl-].O=[N+]([O-])C=1C=CC(=C(C1)[N+](=O)[O-])[N+]=2C=CC(=CC2)C=3C=CC=CC3
inchi:
InChI=1/C17H12N3O4.ClH/c21-19(22)15-6-7-16(17(12-15)20(23)24)18-10-8-14(9-11-18)13-4-2-1-3-5-13;/h1-12H;1H/q+1;/p-1


cas: 26864-36-8
formula: C30H57O6S3Sb
inchikey: DDMNAZJLNYNMMN-UHFFFAOYSA-K
norman_susdat_id: NS00084675
smiles: CCCCC(CC)COC(=O)CS[Sb](SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stibatetradecanoate

inchi:
InChI=1/3C10H20O2S.Sb/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;/h3*9,13H,3-8H2,1-2H3;/q;;;+3/p-3/rC30H57O6S3Sb/c1-7-13-16-25(10-4)19-34-28(31)22-37-40(38-23-29(32)35-20-26(11-5)17-14-8-2)39-24-30(33)36-21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3


cas: 26864-37-9
dtxsid: DTXSID1029750
formula: C34H66O6S3Sn
inchikey: HHDNFMPQAVDNGA-UHFFFAOYSA-K
norman_susdat_id: NS00050827
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)CCCC
name:
2-ethylhexyl 4-butyl-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

inchi:
InChI=1/3C10H20O2S.C4H9.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC34H66O6S3Sn/c1-8-15-19-29(12-5)23-38-32(35)26-41-44(22-18-11-4,42-27-33(36)39-24-30(13-6)20-16-9-2)43-28-34(37)40-25-31(14-7)21-17-10-3/h29-31H,8-28H2,1-7H3


name: 2-ethylhexyl [(tributylstannyl)thio]acetate
cas: 26864-39-1
formula: C22H46O2SSn
inchikey: IUUATANFBYYKTE-UHFFFAOYSA-M
norman_susdat_id: NS00052062
pubchem_cid: 3015329
smiles: O=C(OCC(CC)CCCC)CS[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C10H20O2S.3C4H9.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;3*1-3-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC22H46O2SSn/c1-6-11-15-21(10-5)19-24-22(23)20-25-26(16-12-7-2,17-13-8-3)18-14-9-4/h21H,6-20H2,1-5H3


name: Penfluridol
cas: 26864-56-2
chebiid: CHEBI:92278
chemspiderid: 31017
dtxsid: DTXSID5049021
formula: C28H27Cl1F5N1O1
inchikey: MDLAAYDRRZXJIF-UHFFFAOYSA-N
norman_susdat_id: NS00002358
pubchem_cid: 33630
smiles: OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
inchi:
InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2


name: N,N',N''-tris(dodecyl)-1,3,5-triazine-2,4,6-triamine
cas: 26867-92-5
dtxsid: DTXSID50949672
formula: C39H78N6
inchikey: JVJAEQNZSBELCT-UHFFFAOYSA-N
norman_susdat_id: NS00052063
pubchem_cid: 11970436
smiles: N=1C(=NC(=NC1NCCCCCCCCCCCC)NCCCCCCCCCCCC)NCCCCCCCCCCCC
inchi:
InChI=1/C39H78N6/c1-4-7-10-13-16-19-22-25-28-31-34-40-37-43-38(41-35-32-29-26-23-20-17-14-11-8-5-2)45-39(44-37)42-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3,(H3,40,41,42,43,44,45)


name: N,N-bis[(triethoxysilyl)methyl]allylamine
cas: 26868-19-9
dtxsid: DTXSID5067263
formula: C17H39NO6Si2
inchikey: JKIXQFFUDBSKMM-UHFFFAOYSA-N
norman_susdat_id: NS00051274
pubchem_cid: 117885
smiles: O(CC)[Si](OCC)(OCC)CN(CC=C)C[Si](OCC)(OCC)OCC
inchi:
InChI=1/C17H39NO6Si2/c1-8-15-18(16-25(19-9-2,20-10-3)21-11-4)17-26(22-12-5,23-13-6)24-14-7/h8H,1,9-17H2,2-7H3


name: Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-
cas: 26868-32-6
chemspiderid: 105340
dtxsid: DTXSID0067264
formula: C21H15Br1N2O4S1
inchikey: BDJMCMGZOMQUMJ-UHFFFAOYSA-N
norman_susdat_id: NS00028214
pubchem_cid: 117886
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1cc(Br)c(N)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H15BrN2O4S/c1-11-6-8-12(9-7-11)29(27,28)24-16-10-15(22)19(23)18-17(16)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,24H,23H2,1H3


name: 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-7-(4-hydroxyphenyl)-9,10-dioxo-
cas: 26869-99-8
chemspiderid: 105341
dtxsid: DTXSID5067265
formula: C20H14N2O8S1
inchikey: YFKFBKUGGPWWFB-UHFFFAOYSA-N
norman_susdat_id: NS00028215
pubchem_cid: 117887
smiles: Nc1cc(c(O)c2c1C(=O)c1c(c(N)c(cc1O)c1ccc(O)cc1)C2=O)S(=O)(=O)O
inchi:
InChI=1S/C20H14N2O8S/c21-10-6-12(31(28,29)30)18(25)16-13(10)19(26)14-11(24)5-9(17(22)15(14)20(16)27)7-1-3-8(23)4-2-7/h1-6,23-25H,21-22H2,(H,28,29,30)


name: Ap22408
cas: 268741-43-1
formula: C30H41N3O10P2
inchikey: SPSGYTWOIGAABK-DQEYMECFSA-N
norman_susdat_id: NS00069700
pubchem_cid: 445561
smiles: CC(=O)N[C@@H](Cc1ccc(P(=O)(O)O)c(P(=O)(O)O)c1)C(=O)N[C@H]1CCCCc2cc(OCC3CCCCC3)c(C(N)=O)cc21
inchi:
InChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1


name: Laudanosine
cas: 2688-77-9
chebiid: CHEBI:91599
chemspiderid: 14792
dtxsid: DTXSID30878577
formula: C21H27N1O4
inchikey: KGPAYJZAMGEDIQ-UHFFFAOYSA-N
norman_susdat_id: NS00002032
pubchem_cid: 15548
smiles: COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3


name: 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine sulphate
cas: 26887-03-6
formula: C21H24F3N3S.xH2O4S
inchikey: TWSQOCXOYJMUOT-UHFFFAOYSA-N
norman_susdat_id: NS00085342
smiles: CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1.OS(=O)(=O)O
inchi:
InChI=1/C21H24F3N3S.H2O4S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24;1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;(H2,1,2,3,4)


name: Amoxicillin, L-
cas: 26889-93-0
chebiid: CHEBI:95232
dtxsid: DTXSID30181396
formula: C16H19N3O5S
inchikey: LSQZJLSUYDQPKJ-BBGACYKPSA-N
norman_susdat_id: NS00076249
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10+,11-,14+/m0/s1


name: (1-methyl-2-oxo-2-phenylethyl)triphenylphosphonium bromide
cas: 2689-63-6
dtxsid: DTXSID20949684
formula: C27H24OP
inchikey: PSYONAVRWJIHHC-UHFFFAOYSA-M
norman_susdat_id: NS00050044
pubchem_cid: 3083776
smiles: [Br-].O=C(C=1C=CC=CC1)C(C)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C27H24OP.BrH/c1-22(27(28)23-14-6-2-7-15-23)29(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26;/h2-22H,1H3;1H/q+1;/p-1


cas: 26901-59-7
formula: C26H25N3O14S4
inchikey: BDBQDSFOTKBSMB-UHFFFAOYSA-N
norman_susdat_id: NS00084459
smiles: COc4cc(c(C)cc4N=Nc3c(cc2ccc(Nc1cccc(c1)S(O)(=O)=O)cc2c3O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O
name:
4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-6-[(3-sulphophenyl)amino]naphthalene-2-sulphonic acid

inchi:
InChI=1/C26H25N3O14S4/c1-15-10-21(22(42-2)14-23(15)44(31,32)9-8-43-47(39,40)41)28-29-25-24(46(36,37)38)11-16-6-7-18(13-20(16)26(25)30)27-17-4-3-5-19(12-17)45(33,34)35/h3-7,10-14,27,30H,8-9H2,1-2H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)


name: Etravirine
cas: 269055-15-4
chebiid: CHEBI:63589
chemspiderid: 168313
dtxsid: DTXSID30181412
formula: C20H15Br1N6O1
inchikey: PYGWGZALEOIKDF-UHFFFAOYSA-N
norman_susdat_id: NS00008301
pubchem_cid: 193962
smiles: Cc1cc(cc(C)c1Oc1nc(Nc2ccc(cc2)C#N)nc(N)c1Br)C#N
inchi:
InChI=1S/C20H15BrN6O/c1-11-7-14(10-23)8-12(2)17(11)28-19-16(21)18(24)26-20(27-19)25-15-5-3-13(9-22)4-6-15/h3-8H,1-2H3,(H3,24,25,26,27)


name: 3-(diethylamino)propyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride
cas: 26908-91-8
formula: C21H31NO2.ClH
inchikey: ODVPRPWQGNOPAY-UHFFFAOYSA-N
norman_susdat_id: NS00084460
smiles: Cl.CCN(CC)CCCOC(=O)C1(CC2CCC1C2)c3ccccc3
inchi:
InChI=1/C21H31NO2.ClH/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17;/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3;1H


name: 2,2'-[(1,2-diethylethylene)bis(p-phenyleneoxy)]bis(triethyl)amine
cas: 2691-45-4
chebiid: CHEBI:135759
formula: C30H48N2O2
inchikey: UBDWKOZBPSKHMO-UHFFFAOYSA-N
norman_susdat_id: NS00048791
pubchem_cid: 66143
smiles: O(C1=CC=C(C=C1)C(CC)C(C2=CC=C(OCCN(CC)CC)C=C2)CC)CCN(CC)CC
inchi:
InChI=1/C30H48N2O2/c1-7-29(25-13-17-27(18-14-25)33-23-21-31(9-3)10-4)30(8-2)26-15-19-28(20-16-26)34-24-22-32(11-5)12-6/h13-20,29-30H,7-12,21-24H2,1-6H3


name: 2-(diethylamino)ethyl a-phenylpiperidine-1-acetate dihydrochloride
cas: 2691-46-5
formula: C19H30N2O2.2ClH
inchikey: AENXFXORLQIJDC-UHFFFAOYSA-N
norman_susdat_id: NS00083629
smiles: Cl.Cl.CCN(CC)CCOC(=O)C(N1CCCCC1)c2ccccc2
inchi:
InChI=1/C19H30N2O2.2ClH/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21;;/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3;2*1H


name: Methyl-N-acetyl-N-L-alanyl-N-L-alanyl alaninate
cas: 26910-17-8
dtxsid: DTXSID20949705
formula: C12H21N3O5
inchikey: FKSWBCPVKXRWMC-UHFFFAOYSA-N
norman_susdat_id: NS00051340
pubchem_cid: 100120
smiles: O=C(NC(C(=O)NC(C(=O)NC(C(=O)OC)C)C)C)C
inchi:
InChI=1/C12H21N3O5/c1-6(13-9(4)16)10(17)14-7(2)11(18)15-8(3)12(19)20-5/h6-8H,1-5H3,(H,13,16)(H,14,17)(H,15,18)


cas: 26918-40-1
formula: C21H25NO.BrH
inchikey: IBYAEHGQHLPWIA-HZJSZROSSA-N
norman_susdat_id: NS00084702
smiles: Br.CC1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2Cc4ccccc4
name:
(2a,6a,11R*)-3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol hydrobromide

inchi:
InChI=1/C21H25NO.BrH/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16;/h3-9,13,15,20,23H,10-12,14H2,1-2H3;1H


name: Behenyl betaine
cas: 26920-62-7
dtxsid: DTXSID20181421
formula: C26H54NO2
inchikey: SQXSZTQNKBBYPM-UHFFFAOYSA-N
norman_susdat_id: NS00051303
pubchem_cid: 21149403
smiles: O=C([O-])C[N+](C)(C)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(2,3)25-26(28)29/h4-25H2,1-3H3


name: Deacetoxycephalosporin C
cas: 26924-74-3
chebiid: CHEBI:18229
dtxsid: DTXSID00181424
formula: C14H19N3O6S
inchikey: NNQIJOYQWYKBOW-JWKOBGCHSA-N
norman_susdat_id: NS00069806
pubchem_cid: 160139
smiles: CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@H]2SC1
inchi:
InChI=1S/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t7-,9-,12-/m1/s1


name: 2'-azido-2'-deoxyuridine
cas: 26929-65-7
dtxsid: DTXSID30949711
formula: C9H12N5O5
inchikey: MRUKYOQQKHNMFI-RNMRRNDGSA-N
norman_susdat_id: NS00051304
pubchem_cid: 21124711
smiles: [N-]=[N+]=NC1C(O)C(OC1N2C=CC(=O)NC2=O)CO
inchi:
InChI=1/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)


name: 1,4-bis[4-(4-chlorophenoxy)anilino]anthraquinone
cas: 26931-39-5
dtxsid: DTXSID90949712
formula: C38H24Cl2N2O4
inchikey: VBYVRBWNRUQDMH-UHFFFAOYSA-N
norman_susdat_id: NS00050894
pubchem_cid: 16205035
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(OC5=CC=C(Cl)C=C5)C=C4)C13)NC6=CC=C(OC7=CC=C(Cl)C=C7)C=C6
inchi:
InChI=1/C38H24Cl2N2O4/c39-23-5-13-27(14-6-23)45-29-17-9-25(10-18-29)41-33-21-22-34(36-35(33)37(43)31-3-1-2-4-32(31)38(36)44)42-26-11-19-30(20-12-26)46-28-15-7-24(40)8-16-28/h1-22,41-42H


cas: 26931-40-8
dtxsid: DTXSID60885375
formula: C24H25BrN6O8
inchikey: QBLLNOJDLUTSGF-UHFFFAOYSA-N
norman_susdat_id: NS00051341
pubchem_cid: 117337
smiles: O=C(NC=1C=C(NCC(O)COC=2C=CC=CC2)C(OC)=CC1N=NC3=C(Br)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C
name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-phenoxypropyl)amino]-4-methoxyphenyl]acetamide

inchi:
InChI=1/C24H23BrN6O8/c1-14(32)27-19-10-21(26-12-16(33)13-39-17-6-4-3-5-7-17)23(38-2)11-20(19)28-29-24-18(25)8-15(30(34)35)9-22(24)31(36)37/h3-11,16,26,33H,12-13H2,1-2H3,(H,27,32)


name: Norcorydine
cas: 26931-78-2
chebiid: CHEBI:175183
chemspiderid: 156237
dtxsid: DTXSID40181428
formula: C19H21NO4
inchikey: HVMMFGYMZZVURQ-LBPRGKRZSA-N
norman_susdat_id: NS00094699
pubchem_cid: 179491
smiles: COC1=C(OC)C2=C(C[C@@H]3NCCC4=CC(OC)=C(O)C2=C34)C=C1
inchi:
InChI=1S/C19H21NO4/c1-22-13-5-4-10-8-12-15-11(6-7-20-12)9-14(23-2)18(21)17(15)16(10)19(13)24-3/h4-5,9,12,20-21H,6-8H2,1-3H3/t12-/m0/s1


name: HT-2 Toxin
cas: 26934-87-2
chemspiderid: 285297
dtxsid: DTXSID60891810
formula: C22H32O8
inchikey: PNKLMTPXERFKEN-ZIOSACBISA-N
norman_susdat_id: NS00000153
pubchem_cid: 322238
smiles: CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)COC(=O)C
inchi:
InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22+/m0/s1


name: N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide
cas: 269390-69-4
dtxsid: DTXSID60430900
formula: C19H16ClN3O
inchikey: GGPZCOONYBPZEW-UHFFFAOYSA-N
norman_susdat_id: NS00068146
pubchem_cid: 9797919
smiles: O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1ccncc1
inchi:
InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)


name: Triallyl trimellitate
cas: 2694-54-4
chemspiderid: 68408
dtxsid: DTXSID4044901
formula: C18H18O6
inchikey: GRPURDFRFHUDSP-UHFFFAOYSA-N
norman_susdat_id: NS00021968
pubchem_cid: 75903
smiles: C=CCOC(=O)c1cc(C(=O)OCC=C)c(cc1)C(=O)OCC=C
inchi:
InChI=1S/C18H18O6/c1-4-9-22-16(19)13-7-8-14(17(20)23-10-5-2)15(12-13)18(21)24-11-6-3/h4-8,12H,1-3,9-11H2


name: 17-a-methylandrosta-1,5-diene-3-ß,17-ß-diol
cas: 2694-98-6
dtxsid: DTXSID00949723
formula: C20H30O2
inchikey: MQKCILYFKAJWDB-DTMQFJJTSA-N
norman_susdat_id: NS00049428
pubchem_cid: 23617850
smiles: OC1C=CC2(C(=CCC3C2CCC4(C)C3CCC4(O)C)C1)C
inchi:
InChI=1/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,6,9,14-17,21-22H,5,7-8,10-12H2,1-3H3


name: 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-7-(4-methoxyphenyl)-9,10-dioxo-
cas: 26941-42-4
chemspiderid: 105349
dtxsid: DTXSID5067269
formula: C21H16N2O8S1
inchikey: BOGQWONBGYJLTF-UHFFFAOYSA-N
norman_susdat_id: NS00028224
pubchem_cid: 117895
smiles: COc1ccc(cc1)c1c(N)c2c(c(O)c1)C(=O)c1c(c(O)c(cc1N)S(=O)(=O)O)C2=O
inchi:
InChI=1S/C21H16N2O8S/c1-31-9-4-2-8(3-5-9)10-6-12(24)15-16(18(10)23)21(27)17-14(20(15)26)11(22)7-13(19(17)25)32(28,29)30/h2-7,24-25H,22-23H2,1H3,(H,28,29,30)


name: 1,2,3-propanetriyl triisooctadecanoate
cas: 26942-95-0
chemspiderid: 147511
formula: C57H110O6
inchikey: JNAYPSWVMNJOPQ-UHFFFAOYSA-N
norman_susdat_id: NS00002634
pubchem_cid: 168634
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C57H110O6/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)50-62-56(59)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3


name: glibornuride
cas: 26944-48-9
chemspiderid: 31034
formula: C18H26N2O4S1
inchikey: RMTYNAPTNBJHQI-UHFFFAOYSA-N
norman_susdat_id: NS00002823
pubchem_cid: 33649
smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1C(O)C2(C)CCC1C2(C)C
inchi:
InChI=1S/C18H26N2O4S/c1-11-5-7-12(8-6-11)25(23,24)20-16(22)19-14-13-9-10-18(4,15(14)21)17(13,2)3/h5-8,13-15,21H,9-10H2,1-4H3,(H2,19,20,22)


name: 2-Ethylhexyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
cas: 26952-20-5
chemspiderid: 11677358
formula: C14H19Cl3N2O2
inchikey: RPDJBUSVCYFTRU-UHFFFAOYSA-N
norman_susdat_id: NS00021969
pubchem_cid: 169770
smiles: CCCCC(CC)COC(=O)C1=C(Cl)C(N)=C(Cl)C(Cl)=N1
inchi:
InChI=1S/C14H19Cl3N2O2/c1-3-5-6-8(4-2)7-21-14(20)12-9(15)11(18)10(16)13(17)19-12/h8H,3-7H2,1-2H3,(H2,18,19)/t8-/m0/s1


name: Tetrakis(methylphenyl) orthosilicate
cas: 26952-29-4
dtxsid: DTXSID9067271
formula: C28H28O4Si
inchikey: TWMWZRUDJDOLDG-UHFFFAOYSA-N
norman_susdat_id: NS00050895
pubchem_cid: 85559
smiles: O(C=1C=CC=CC1C)[Si](OC=2C=CC=CC2C)(OC=3C=CC=CC3C)OC=4C=CC=CC4C
inchi:
InChI=1/C28H28O4Si/c1-21-13-5-9-17-25(21)29-33(30-26-18-10-6-14-22(26)2,31-27-19-11-7-15-23(27)3)32-28-20-12-8-16-24(28)4/h5-20H,1-4H3


name: 2,2-dibutyl-1,3,2-dioxastannolane-4,5-dione
cas: 26962-68-5
formula: C10H18O4Sn
inchikey: JJTKDKRNJKLRSS-UHFFFAOYSA-L
norman_susdat_id: NS00049954
pubchem_cid: NA
smiles: O=C1O[Sn](OC1=O)(CCCC)CCCC
inchi:
InChI=1/2C4H9.C2H2O4.Sn/c2*1-3-4-2;3-1(4)2(5)6;/h2*1,3-4H2,2H3;(H,3,4)(H,5,6);/q;;;+2/p-2/rC10H18O4Sn/c1-3-5-7-15(8-6-4-2)13-9(11)10(12)14-15/h3-8H2,1-2H3


name: Tris(isopropylphenyl) phosphate
cas: 26967-76-0
dtxsid: DTXSID50858795
formula: C27H33O4P
inchikey: LIPMRGQQBZJCTM-UHFFFAOYSA-N
norman_susdat_id: NS00049413
pubchem_cid: 33661
smiles: O=P(OC=1C=CC=CC1C(C)C)(OC=2C=CC=CC2C(C)C)OC=3C=CC=CC3C(C)C
inchi:
InChI=1/C27H33O4P/c1-19(2)22-13-7-10-16-25(22)29-32(28,30-26-17-11-8-14-23(26)20(3)4)31-27-18-12-9-15-24(27)21(5)6/h7-21H,1-6H3


name: (17ß)-17-[[(cyclohexylmethoxy)carbonyl]oxy]androst-4-en-3-one
cas: 2697-92-9
dtxsid: DTXSID20949745
formula: C27H40O4
inchikey: INQMBXZKQQQESC-ZLQWOROUSA-N
norman_susdat_id: NS00050100
pubchem_cid: 102314
smiles: O=C(OCC1CCCCC1)OC2CCC3C4CCC5=CC(=O)CCC5(C)C4CCC23C
inchi:
InChI=1/C27H40O4/c1-26-14-12-20(28)16-19(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)31-25(29)30-17-18-6-4-3-5-7-18/h16,18,21-24H,3-15,17H2,1-2H3


name: Ceftezole
cas: 26973-24-0
chebiid: CHEBI:135716
chemspiderid: 59178
dtxsid: DTXSID0022771
formula: C13H12N8O4S3
inchikey: DZMVCVMFETWNIU-LDYMZIIASA-N
norman_susdat_id: NS00011571
pubchem_cid: 65755
smiles: c1nnnn1CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nncs4)C(=O)O
inchi:
InChI=1S/C13H12N8O4S3/c22-7(1-20-4-14-18-19-20)16-8-10(23)21-9(12(24)25)6(2-26-11(8)21)3-27-13-17-15-5-28-13/h4-5,8,11H,1-3H2,(H,16,22)(H,24,25)/t8-,11-/m1/s1


name: Sphingosine 1-phosphate
cas: 26993-39-5
chebiid: CHEBI:37550
chemspiderid: 4446673
dtxsid: DTXSID4037166
formula: C18H38N1O5P1
inchikey: DUYSYHSSBDVJSM-KRWOKUGFSA-N
norman_susdat_id: NS00015096
pubchem_cid: NA
smiles: CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)N)O
inchi:
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1


name: Calcium thiobis[dodecylphenolate]
cas: 26998-97-0
dtxsid: DTXSID7027918
formula: C36H58O2S
inchikey: CKBXIYXJPWPKFD-UHFFFAOYSA-L
norman_susdat_id: NS00050015
pubchem_cid: 22833327
smiles: [Ca+2].[O-]C1=CC=CC(SC=2C=CC=C([O-])C2CCCCCCCCCCCC)=C1CCCCCCCCCCCC
inchi:
InChI=1/C36H58O2S.Ca/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(37)27-23-29-35(31)39-36-30-24-28-34(38)32(36)26-22-20-18-16-14-12-10-8-6-4-2;/h23-24,27-30,37-38H,3-22,25-26H2,1-2H3;/q;+2/p-2


name: (maleoyldioxy)bis[phenylmercury]
cas: 2701-61-3
formula: C16H12Hg2O4
inchikey: QECSDABEOGXZNH-RFUWXRFNSA-L
norman_susdat_id: NS00083662
smiles: O=C(O[Hg]c1ccccc1)\C=C/C(=O)O[Hg]c2ccccc2
inchi:
InChI=1/2C6H5.C4H4O4.2Hg/c2*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h2*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;2*+1/p-2/rC16H12Hg2O4/c19-15(21-17-13-7-3-1-4-8-13)11-12-16(20)22-18-14-9-5-2-6-10-14/h1-12H


cas: 27013-91-8
chebiid: CHEBI:69370
dtxsid: DTXSID20949785
formula: C41H66O12
inchikey: KEOITPILCOILGM-LLJOFIFVSA-N
norman_susdat_id: NS00050007
pubchem_cid: 73296
smiles: O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(C)C(O)C(O)C7O)C(C)(CO)C5CCC4(C)C3(C)CC1
name:
(4a)-3ß-[[2-O-(6-deoxy-a-L-mannopyranosyl)-a-L-arabinopyranosyl]oxy]-23-hydroxyolean-12-en-28-oic acid

inchi:
InChI=1/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)


cas: 27014-41-1
formula: C24H49NO4
norman_susdat_id: NS00101841
name:
Poly(oxy-1,2-ethanediyl), .omega.,.omega.'-dihydroxy-.omega.''-[(1-oxooctadecyl)oxy]-.alpha.,.alpha.',.alpha.''-(nitrilotri-2,1-ethanediyl)tris-


cas: 27014-42-2
formula: C10H24N2O4
norman_susdat_id: NS00101353
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.'',.alpha.'''-[1,2-ethanediylbis(nitrilodi-2,1-ethanediyl)]tetrakis[.omega.-hydroxy-


name: Disodium 5,5',7,7'-tetrabromo[2,2'-bi-1H-indole]-3,3'-diyl disulphate
cas: 2702-33-2
dtxsid: DTXSID6062597
formula: C16H6Br4N2O8S2
inchikey: SGYKZPZRNCWCME-UHFFFAOYSA-L
norman_susdat_id: NS00048804
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])OC=1C(N=C2C(Br)=CC(Br)=CC21)=C3N=C4C(Br)=CC(Br)=CC4=C3OS(=O)(=O)[O-]
inchi:
InChI=1/C16H6Br4N2O8S2.2Na/c17-5-1-7-11(9(19)3-5)21-13(15(7)29-31(23,24)25)14-16(30-32(26,27)28)8-2-6(18)4-10(20)12(8)22-14;;/h1-4H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: Benzoic acid, 4-[2-(5,6-dimethyl-2-benzoxazolyl)ethenyl]-, methyl ester
cas: 2702-44-5
chemspiderid: 4527445
dtxsid: DTXSID1062598
formula: C19H17N1O3
inchikey: QLAXRNXBCBELEB-UHFFFAOYSA-N
norman_susdat_id: NS00028246
pubchem_cid: 102316
smiles: COC(=O)c1ccc(/C=C/c2nc3cc(C)c(C)cc3o2)cc1
inchi:
InChI=1S/C19H17NO3/c1-12-10-16-17(11-13(12)2)23-18(20-16)9-6-14-4-7-15(8-5-14)19(21)22-3/h4-11H,1-3H3/b9-6+


name: Carfecillin
cas: 27025-49-6
chebiid: CHEBI:3414
chemspiderid: 31054
dtxsid: DTXSID10891704
formula: C23H22N2O6S1
inchikey: NZDASSHFKWDBBU-KVMCETHSSA-N
norman_susdat_id: NS00011615
pubchem_cid: 33672
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)Oc4ccccc4)C(=O)O)C
inchi:
InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1


name: Didodecyl ether
cas: 27028-82-6
chemspiderid: 19464
dtxsid: DTXSID5051494
formula: C24H50O1
inchikey: CMCBDXRRFKYBDG-UHFFFAOYSA-N
norman_susdat_id: NS00014145
pubchem_cid: 20667
smiles: CCCCCCCCCCCCOCCCCCCCCCCCC.OCCN(CCO)CCO.[O-][S]([O-])(=O)=O
inchi:
InChI=1S/C24H50O.C6H15NO3.H2O4S/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;8-4-1-7(2-5-9)3-6-10;1-5(2,3)4/h3-24H2,1-2H3;8-10H,1-6H2;(H2,1,2,3,4)/p-2


name: 1H-Pyrrole-2,5-dione, 1-[4-(1H-benzimidazol-2-yl)phenyl]-
cas: 27030-97-3
chemspiderid: 105361
dtxsid: DTXSID4067274
formula: C17H11N3O2
inchikey: NZDOXVCRXDAVII-UHFFFAOYSA-N
norman_susdat_id: NS00028247
pubchem_cid: 117909
smiles: O=C1C=CC(=O)N1c1ccc(cc1)c1nc2c([nH]1)cccc2
inchi:
InChI=1S/C17H11N3O2/c21-15-9-10-16(22)20(15)12-7-5-11(6-8-12)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)


name: N-(4-(((((4,5-Dimethyloxazol-2-yl)amino)iminomethyl)amino)sulphonyl)phenyl)acetamide
cas: 27031-07-8
chemspiderid: 7842548
dtxsid: DTXSID30181513
formula: C14H17N5O4S1
inchikey: GVUJSMPEINYUNP-UHFFFAOYSA-N
norman_susdat_id: NS00028248
pubchem_cid: 9567836
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N=CNNc1nc(C)c(C)o1
inchi:
InChI=1S/C14H17N5O4S/c1-9-10(2)23-14(17-9)19-15-8-16-24(21,22)13-6-4-12(5-7-13)18-11(3)20/h4-8H,1-3H3,(H,15,16)(H,17,19)(H,18,20)


name: Sulfaguanole
cas: 27031-08-9
chebiid: CHEBI:135318
chemspiderid: 7845507
dtxsid: DTXSID0023610
formula: C12H15N5O3S1
inchikey: IJZUQDQOAFUFJY-UHFFFAOYSA-N
norman_susdat_id: NS00008022
pubchem_cid: 9571041
smiles: Cc1nc(NC(N)=NS(=O)(=O)c2ccc(N)cc2)oc1C
inchi:
InChI=1S/C12H15N5O3S/c1-7-8(2)20-12(15-7)16-11(14)17-21(18,19)10-5-3-9(13)4-6-10/h3-6H,13H2,1-2H3,(H3,14,15,16,17)


name: Oxametacin
cas: 27035-30-9
chebiid: CHEBI:76255
chemspiderid: 31057
dtxsid: DTXSID70181517
formula: C19H17Cl1N2O4
inchikey: AJRNYCDWNITGHF-UHFFFAOYSA-N
norman_susdat_id: NS00028249
pubchem_cid: 33675
smiles: COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)NO
inchi:
InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)


name: Dodecyltoluene-a-thiol
cas: 27043-31-8
dtxsid: DTXSID00949804
formula: C19H32S
inchikey: BHRMPAZMSYLRQO-UHFFFAOYSA-N
norman_susdat_id: NS00049431
pubchem_cid: 20833767
smiles: SCC=1C=CC=CC1CCCCCCCCCCCC
inchi:
InChI=1/C19H32S/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-16-19(18)17-20/h12-13,15-16,20H,2-11,14,17H2,1H3


name: 2,2',2'',2'''-[ethane-1,2-diylidenetetrakis(phenyleneoxymethylene)]tetraoxirane
cas: 27043-37-4
dtxsid: DTXSID60949805
formula: C38H38O8
inchikey: BJSADSPMCGIFMP-UHFFFAOYSA-N
norman_susdat_id: NS00050018
pubchem_cid: 22140565
smiles: O(C=1C=CC=CC1C(C=2C=CC=CC2OCC3OC3)C(C=4C=CC=CC4OCC5OC5)C=6C=CC=CC6OCC7OC7)CC8OC8
inchi:
InChI=1/C38H38O8/c1-5-13-33(43-21-25-17-39-25)29(9-1)37(30-10-2-6-14-34(30)44-22-26-18-40-26)38(31-11-3-7-15-35(31)45-23-27-19-41-27)32-12-4-8-16-36(32)46-24-28-20-42-28/h1-16,25-28,37-38H,17-24H2


name: 1-Benzoyl-1,4-dihydro-4-(1H-indol-3-yl)pyridine
cas: 27058-18-0
chemspiderid: 820260
dtxsid: DTXSID80181528
formula: C20H16N2O1
inchikey: WBAGVPNSMZETHA-UHFFFAOYSA-N
norman_susdat_id: NS00028250
pubchem_cid: 942836
smiles: O=C(N1C=CC(C=C1)c1c[nH]c2c1cccc2)c1ccccc1
inchi:
InChI=1S/C20H16N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-15,21H


name: [2-hydroxy-3-(2-methoxyphenoxy)propyl]isopropylammonium chloride
cas: 27058-84-0
formula: C13H21NO3.ClH
inchikey: JKEZSJIWQWVVQR-UHFFFAOYSA-N
norman_susdat_id: NS00083939
smiles: [Cl-].COc1ccccc1OCC(O)C[NH2+]C(C)C
inchi:
InChI=1/C13H21NO3.ClH/c1-10(2)14-8-11(15)9-17-13-7-5-4-6-12(13)16-3;/h4-7,10-11,14-15H,8-9H2,1-3H3;1H


name: Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-
cas: 27059-08-1
chemspiderid: 105364
dtxsid: DTXSID4067276
formula: C16H22N2O5
inchikey: QHMJTMSGRAGQMU-UHFFFAOYSA-N
norman_susdat_id: NS00028251
pubchem_cid: 117913
smiles: CC(=O)Nc1cccc(c1)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)


name: [10-[2-(dimethylammonio)propyl]-10H-phenothiazinium] maleate
cas: 27059-74-1
formula: C17H20N2S.C4H4O4
inchikey: JSYGKADGBBTFIQ-BTJKTKAUSA-N
norman_susdat_id: NS00084398
smiles: CC(C[NH+]1c2ccccc2Sc3ccccc13)[NH+](C)C.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C17H20N2S.C4H4O4/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;5-3(6)1-2-4(7)8/h4-11,13H,12H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: Disodium 2-amino-5-((4-sulphonatophenyl)azo)benzenesulphonate
cas: 2706-28-7
chemspiderid: 54957
dtxsid: DTXSID00889458
formula: C12H11N3O6S2
inchikey: DCYBHNIOTZBCFS-PFONDFGASA-N
norman_susdat_id: NS00013471
pubchem_cid: NA
smiles: [Na+].[Na+].Nc1ccc(cc1[S]([O-])(=O)=O)N=Nc2ccc(cc2)[S]([O-])(=O)=O
inchi:
InChI=1S/C12H11N3O6S2.2Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2


name: N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]glycine
cas: 2706-38-9
formula: C16H22N2O5
inchikey: YJNQRRCNDSQTQO-ZDUSSCGKSA-N
norman_susdat_id: NS00049395
pubchem_cid: 6992483
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)O)CC(C)C
inchi:
InChI=1/C16H22N2O5/c1-11(2)8-13(15(21)17-9-14(19)20)18-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)


cas: 27066-98-4
formula: C16H21NO2.C12H12N2O3
inchikey: TXMSMBUTLMUCIE-UHFFFAOYSA-N
norman_susdat_id: NS00083971
smiles: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)NCC(O)COc3cccc4ccccc34
name:
5-ethyl-5-phenylbarbituric acid, compound with 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol (1:1)

inchi:
InChI=1/C16H21NO2.C12H12N2O3/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-9,12,14,17-18H,10-11H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)


name: Fluorescein 5(6)-isothiocyanate
cas: 27072-45-3
chebiid: CHEBI:37918
chemspiderid: 17686
formula: C21H11N1O5S1
inchikey: MHMNJMPURVTYEJ-UHFFFAOYSA-N
norman_susdat_id: NS00028252
pubchem_cid: 18730
smiles: Oc1cc2c(cc1)C1(OC(=O)c3c1ccc(c3)N=C=S)c1c(O2)cc(O)cc1
inchi:
InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H


name: Diisotridecyl hydrogen phosphate
cas: 27073-01-4
dtxsid: DTXSID80865336
formula: C26H55O4P
inchikey: GMPXNGPHBIHLON-UHFFFAOYSA-N
norman_susdat_id: NS00050801
pubchem_cid: 117917
smiles: O=P(O)(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
inchi:
InChI=1/C26H55O4P/c1-25(2)21-17-13-9-5-7-11-15-19-23-29-31(27,28)30-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-26H,5-24H2,1-4H3,(H,27,28)


name: 10-methoxy-13-methyl-7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinolinium methyl sulphate
cas: 27076-17-1
dtxsid: DTXSID40949828
formula: C20H15N2O2
inchikey: XYDWZVWBHQBNTJ-UHFFFAOYSA-M
norman_susdat_id: NS00050076
pubchem_cid: 57376521
smiles: O=C1C2=CC=CC=3C=CC=C(C32)C=4N(C5=CC=C(OC)C=C5[N+]14)C.O=S(=O)([O-])OC
inchi:
InChI=1/C20H15N2O2.CH4O4S/c1-21-16-10-9-13(24-2)11-17(16)22-19(21)14-7-3-5-12-6-4-8-15(18(12)14)20(22)23;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 27083-55-2
norman_susdat_id: NS00113553
name:
Hexanedioic acid, polymer with 1,4-butanediol, 1,2-ethanediol and 1,1-methylenebis[4-isocyanatobenzene]


name: (2,3,4,5-tetrahydro)-3-thioxo-2-(ß-D-ribofuranosyl)-1,2,4-triazin-5-one
cas: 27089-56-1
dtxsid: DTXSID20949846
formula: C8H11N3O5S
inchikey: TVCBDTCUOVDLNZ-UHFFFAOYSA-N
norman_susdat_id: NS00050077
pubchem_cid: NA
smiles: O=C1C=NN(C(=S)N1)C2OC(CO)C(O)C2O
inchi:
InChI=1/C8H11N3O5S/c12-2-3-5(14)6(15)7(16-3)11-8(17)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,17)


name: Flupentixol
cas: 2709-56-0
chebiid: CHEBI:10454
chemspiderid: 4445173
formula: C23H25F3N2O1S1
inchikey: NJMYODHXAKYRHW-DVZOWYKESA-N
norman_susdat_id: NS00010409
pubchem_cid: 5281881
smiles: OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
inchi:
InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-


name: Ethyl [3-(10,11-dihydro-5H-dibenz[b,f]azepin-5-yl)propyl]methylcarbamate
cas: 27097-69-4
dtxsid: DTXSID90949858
formula: C21H26N2O2
inchikey: LHIUCHNQBHLYMH-UHFFFAOYSA-N
norman_susdat_id: NS00050091
pubchem_cid: 56843364
smiles: O=C(OCC)N(C)CCCN1C=2C=CC=CC2CCC=3C=CC=CC31
inchi:
InChI=1/C21H26N2O2/c1-3-25-21(24)22(2)15-8-16-23-19-11-6-4-9-17(19)13-14-18-10-5-7-12-20(18)23/h4-7,9-12H,3,8,13-16H2,1-2H3


cas: 27107-89-7
dtxsid: DTXSID6029751
formula: C38H74O6S3Sn
inchikey: VHKGIWUCVBAITR-UHFFFAOYSA-K
norman_susdat_id: NS00050816
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)CCCCCCCC
name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

inchi:
InChI=1/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC38H74O6S3Sn/c1-8-15-19-20-21-22-26-48(45-30-36(39)42-27-33(12-5)23-16-9-2,46-31-37(40)43-28-34(13-6)24-17-10-3)47-32-38(41)44-29-35(14-7)25-18-11-4/h33-35H,8-32H2,1-7H3


name: 6-Paradol
cas: 27113-22-0
chebiid: CHEBI:10137
chemspiderid: 85173
dtxsid: DTXSID90181574
formula: C17H26O3
inchikey: CZNLTCTYLMYLHL-UHFFFAOYSA-N
norman_susdat_id: NS00021973
pubchem_cid: 94378
smiles: CCCCCCCC(=O)CCc1cc(OC)c(O)cc1
inchi:
InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3


name: Sodium 1,4-diisopentyl sulphonatosuccinate
cas: 27115-04-4
dtxsid: DTXSID90949878
formula: C14H26O7S
inchikey: DRSITYLXPCHIMO-UHFFFAOYSA-M
norman_susdat_id: NS00050079
pubchem_cid: 3015353
smiles: [Na+].O=C(OCCC(C)C)CC(C(=O)OCCC(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C14H26O7S.Na/c1-10(2)5-7-20-13(15)9-12(22(17,18)19)14(16)21-8-6-11(3)4;/h10-12H,5-9H2,1-4H3,(H,17,18,19);/q;+1/p-1


name: Dacuronium bromide
cas: 27115-86-2
dtxsid: DTXSID60949880
formula: C33H58N2O3
inchikey: SUKULMJPMHYWKC-GMMLHHOXSA-L
norman_susdat_id: NS00049478
pubchem_cid: 14029396
smiles: [Br-].[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(O)C(CC34)[N+]5(C)CCCCC5)C2(C)CC1[N+]6(C)CCCCC6)C
inchi:
InChI=1/C33H58N2O3.2BrH/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34;;/h24-31,37H,6-22H2,1-5H3;2*1H/q+2;;/p-2


name: 7-(diethylamino)-1-phenylspiro[[1]benzopyrano[2,3-c]pyrazole-4(1H),1'(3'H)-isobenzofuran]-3'-one
cas: 27116-62-7
dtxsid: DTXSID10885380
formula: C27H23N3O3
inchikey: VQAMMCDORCXCDR-UHFFFAOYSA-N
norman_susdat_id: NS00050818
pubchem_cid: NA
smiles: O=C1OC2(C=3C=NN(C=4C=CC=CC4)C3OC5=CC(=CC=C52)N(CC)CC)C=6C=CC=CC16
inchi:
InChI=1/C27H23N3O3/c1-3-29(4-2)19-14-15-22-24(16-19)32-25-23(17-28-30(25)18-10-6-5-7-11-18)27(22)21-13-9-8-12-20(21)26(31)33-27/h5-17H,3-4H2,1-2H3


name: Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-4-nitrophenyl)-
cas: 2712-83-6
chemspiderid: 4576710
dtxsid: DTXSID3062601
formula: C10H5F7N2O4
inchikey: QKCBNLQPCASALS-UHFFFAOYSA-N
norman_susdat_id: NS00005881
pubchem_cid: 5464597
smiles: Oc1cc(ccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F)N(=O)=O
inchi:
InChI=1S/C10H5F7N2O4/c11-8(12,9(13,14)10(15,16)17)7(21)18-5-2-1-4(19(22)23)3-6(5)20/h1-3,20H,(H,18,21)


cas: 27120-63-4
dtxsid: DTXSID70885381
formula: C26HF53O8
inchikey: SIEUTGCQJFIIPL-UHFFFAOYSA-N
norman_susdat_id: NS00111361
name:
3,6,9,12,15,18,21,24-Octaoxaheptacosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,26,27,27,27-dotriacontafluoro-5,8,11,14,17,20,23-heptakis(trifluoromethyl)-

inchi:
InChI=1/C26HF53O8/c27-1(2(28,29)30)80-20(66,67)4(33,12(43,44)45)82-22(70,71)6(35,14(49,50)51)84-24(74,75)8(37,16(55,56)57)86-26(78,79)10(39,18(61,62)63)87-25(76,77)9(38,17(58,59)60)85-23(72,73)7(36,15(52,53)54)83-21(68,69)5(34,13(46,47)48)81-19(64,65)3(31,32)11(40,41)42/h1H

smiles:
FC(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)(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)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: Methyl 18-ß-acetoxy-10,17-a-dimethoxy-3-oxo-2,3-seco-20-a-yohimbane-16-ß-carboxylate
cas: 27124-12-5
dtxsid: DTXSID00949884
formula: C25H32N2O7
inchikey: BTQSFHGEXFKNQE-UHFFFAOYSA-N
norman_susdat_id: NS00049479
pubchem_cid: 117382
smiles: O=C(OC1CC2CN(C(=O)CC2C(C(=O)OC)C1OC)CCC3=CNC=4C=CC(OC)=CC43)C
inchi:
InChI=1/C25H32N2O7/c1-14(28)34-21-9-16-13-27(22(29)11-19(16)23(24(21)32-3)25(30)33-4)8-7-15-12-26-20-6-5-17(31-2)10-18(15)20/h5-6,10,12,16,19,21,23-24,26H,7-9,11,13H2,1-4H3


name: Thevetin B (Cerberoside)
cas: 27127-79-3
chebiid: CHEBI:27511
chemspiderid: 441850
formula: C42H66O18
inchikey: GZVMBXDQUQRICT-RCGIHWJFSA-N
norman_susdat_id: NS00093829
pubchem_cid: 390426
smiles:
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O


name: 2-(Heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanol
cas: 27136-73-8
chemspiderid: 4940600
dtxsid: DTXSID10892357
formula: C22H42N2O1
inchikey: BNGLZYYFFZFNDJ-WUKNDPDISA-N
norman_susdat_id: NS00019409
pubchem_cid: 6435915
smiles: CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO
inchi:
InChI=1S/C22H42N2O/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/h16-17,25H,2-15,18-21H2,1H3/b17-16+


name: [methylidynetris(oxy)]trisisodecane
cas: 27136-79-4
dtxsid: DTXSID9067279
formula: C31H64O3
inchikey: REGOXHBDMWJBSB-UHFFFAOYSA-N
norman_susdat_id: NS00050129
pubchem_cid: 117936
smiles: O(CCCCCCCC(C)C)C(OCCCCCCCC(C)C)OCCCCCCCC(C)C
inchi:
InChI=1/C31H64O3/c1-28(2)22-16-10-7-13-19-25-32-31(33-26-20-14-8-11-17-23-29(3)4)34-27-21-15-9-12-18-24-30(5)6/h28-31H,7-27H2,1-6H3


name: Oxydipropyl dibenzoate
cas: 27138-31-4
dtxsid: DTXSID6027921
formula: C20H22O5
inchikey: IZYMYJNSFZHDAX-UHFFFAOYSA-N
norman_susdat_id: NS00050141
pubchem_cid: 22251290
smiles: O=C(OC(OC(OC(=O)C=1C=CC=CC1)CC)CC)C=2C=CC=CC2
inchi:
InChI=1/C20H22O5/c1-3-17(24-19(21)15-11-7-5-8-12-15)23-18(4-2)25-20(22)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3


name: Sodium [4-[(4-nitrophenyl)azo]anilino]methanesulphonate
cas: 27152-80-3
dtxsid: DTXSID3067281
formula: C13H13N4O5S
inchikey: YYPBPJHNSVTSLD-UHFFFAOYSA-M
norman_susdat_id: NS00050861
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)NCS(=O)(=O)[O-])C=C1
inchi:
InChI=1/C13H12N4O5S.Na/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-23(20,21)22;/h1-8,14H,9H2,(H,20,21,22);/q;+1/p-1


name: 1-{4-[5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1h-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethan-1-one
cas: 271576-80-8
chebiid: CHEBI:82712
dtxsid: DTXSID60432080
formula: C20H20ClN5O2
inchikey: CATQHDWESBRRQA-UHFFFAOYSA-N
norman_susdat_id: NS00070344
pubchem_cid: 9865587
smiles: O=C(CO)N1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
inchi:
InChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)


name: Sodium N-[2-(N-ethyl-m-toluidino)ethyl]methanesulphonamidate
cas: 27159-90-6
formula: C12H20N2O2S.Na
inchikey: KNTVCAJLJXABRC-UHFFFAOYSA-N
norman_susdat_id: NS00083715
smiles: CCN(CCN([Na])S(=O)(=O)C)c1cccc(C)c1
inchi:
InChI=1/C12H19N2O2S.Na/c1-4-14(9-8-13-17(3,15)16)12-7-5-6-11(2)10-12;/h5-7,10H,4,8-9H2,1-3H3;/q-1;+1/rC12H19N2NaO2S/c1-4-13(8-9-14(15)18(3,16)17)12-7-5-6-11(2)10-12/h5-7,10H,4,8-9H2,1-3H3


name: Bisaniline P
cas: 2716-10-1
chemspiderid: 68434
dtxsid: DTXSID5051947
formula: C24H28N2
inchikey: HESXPOICBNWMPI-UHFFFAOYSA-N
norman_susdat_id: NS00001381
pubchem_cid: 75930
smiles: CC(C)(c1ccc(N)cc1)c1ccc(cc1)C(C)(C)c1ccc(N)cc1
inchi:
InChI=1S/C24H28N2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16H,25-26H2,1-4H3


cas: 27164-45-0
dtxsid: DTXSID10949911
formula: C13H14N6O6S
inchikey: AEUAWKRFSWQUSM-CSDGMEMJSA-M
norman_susdat_id: NS00050865
pubchem_cid: 122893
smiles: [Na+].O=C([O-])C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CN3N=NN=C3
name:
Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C13H14N6O6S.Na/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18;/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24);/q;+1/p-1


cas: 27164-46-1
formula: C14H14N8O4S3.Na
inchikey: FLKYBGKDCCEQQM-CSDGMEMJSA-M
norman_susdat_id: NS00083753
smiles: [Na+].O=C3[C@H](NC(=O)Cn1cnnn1)[C@@H]4SC\C(CSc2nnc(C)s2)=C(/N34)C([O-])=O
name:
Sodium (6R-trans)-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1


name: Oleic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 2717-15-9
formula: C18H34O2.C6H15NO3
inchikey: ICLYJLBTOGPLMC-KVVVOXFISA-N
norman_susdat_id: NS00083305
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C18H34O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2


name: Stearic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 2717-16-0
formula: C18H36O2.C4H11NO2
inchikey: RZEWIYUUNKCGKA-UHFFFAOYSA-N
norman_susdat_id: NS00083665
smiles: CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/C18H36O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h2-17H2,1H3,(H,19,20);5-7H,1-4H2


name: Sodium tetradecane-1-sulphonate
cas: 27175-91-3
formula: C14H30O3S.Na
inchikey: GOCZFPJIFWYFHL-UHFFFAOYSA-J
norman_susdat_id: NS00084121
inchi:
InChI=1/4C10H22O3S.4Na/c4*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;/h4*2-10H2,1H3,(H,11,12,13);;;;/q;;;;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-]


name: Dodecylbenzenesulfonic acid
cas: 27176-87-0
chebiid: CHEBI:149774
chemspiderid: 23761
dtxsid: DTXSID6027923
formula: C18H30O3S1
inchikey: WBIQQQGBSDOWNP-UHFFFAOYSA-N
norman_susdat_id: NS00002838
pubchem_cid: 25457
smiles: CCCCCCCCCCCCc1ccccc1S(O)(=O)=O
inchi:
InChI=1S/C18H30O3S/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)


name: 2-[2-(2-Nonylphenoxy)ethoxy]ethan-1-ol
cas: 27176-93-8
chemspiderid: 2297708
dtxsid: DTXSID00872587
formula: C19H32O3
inchikey: RRLGETDMEIMLQU-UHFFFAOYSA-N
norman_susdat_id: NS00013899
pubchem_cid: 3032832
smiles: CCCCCCCCCc1ccccc1OCCOCCO
inchi:
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3


name: 20-(Nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
cas: 27177-03-3
chemspiderid: 147539
dtxsid: DTXSID20181648
formula: C29H52O8
inchikey: HPBDNFXBBNDIIU-UHFFFAOYSA-N
norman_susdat_id: NS00013903
pubchem_cid: 168666
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C29H52O8/c1-2-3-4-5-6-7-8-11-28-12-9-10-13-29(28)37-27-26-36-25-24-35-23-22-34-21-20-33-19-18-32-17-16-31-15-14-30/h9-10,12-13,30H,2-8,11,14-27H2,1H3


name: 23-(4-Nonylphenoxy)-3,6,9,12,15,18,21-heptaoxatricosan-1-ol
cas: 27177-05-5
chemspiderid: 65318
dtxsid: DTXSID40872586
formula: C31H56O9
inchikey: XXPRRHYTDCWGRP-UHFFFAOYSA-N
norman_susdat_id: NS00013904
pubchem_cid: 72384
smiles: CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3


name: NONOXYNOL-10
cas: 27177-08-8
chemspiderid: 105390
formula: C35H64O11
inchikey: BSZNKPSUDHKEJN-UHFFFAOYSA-N
norman_susdat_id: NS00013905
pubchem_cid: 117941
smiles: CCCCCCCCCc1cccc(OCCCOCCOCCOCCOCCOCCOCCOCCOCCOCO)c1
inchi:
InChI=1S/C35H64O11/c1-2-3-4-5-6-7-8-11-34-12-9-13-35(32-34)46-15-10-14-37-16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-28-29-44-30-31-45-33-36/h9,12-13,32,36H,2-8,10-11,14-31,33H2,1H3


name: Ar-nonyldiphenylamine
cas: 27177-41-9
chemspiderid: 9154546
formula: C21H29N1
inchikey: DSGJTSGIIUQSCS-UHFFFAOYSA-N
norman_susdat_id: NS00019520
pubchem_cid: 10979345
smiles: c2c(Nc1ccc(cc1)CCCCCCCCC)cccc2
inchi:
InChI=1S/C21H29N/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)22-20-13-10-8-11-14-20/h8,10-11,13-18,22H,2-7,9,12H2,1H3


name: Potassium dodecylbenzenesulphonate
cas: 27177-77-1
formula: C18H30O3S.K
inchikey: HSJXWMZKBLUOLQ-UHFFFAOYSA-M
norman_susdat_id: NS00083759
smiles: [K+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.K/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: Sodium dinonylbenzenesulphonate
cas: 27177-78-2
dtxsid: DTXSID90949919
formula: C24H42O3S
inchikey: FIPGLBXQFKCVDI-UHFFFAOYSA-M
norman_susdat_id: NS00050391
pubchem_cid: 3015362
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(C1CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C24H42O3S.Na/c1-3-5-7-9-11-13-15-18-22-19-17-21-24(28(25,26)27)23(22)20-16-14-12-10-8-6-4-2;/h17,19,21H,3-16,18,20H2,1-2H3,(H,25,26,27);/q;+1/p-1


name: diisodecyl adipate
cas: 27178-16-1
chemspiderid: 31101
formula: C26H50O4
inchikey: YKGYQYOQRGPFTO-UHFFFAOYSA-N
norman_susdat_id: NS00001906
pubchem_cid: 33733
smiles: CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3


name: Rhoeadine
cas: 2718-25-4
chebiid: CHEBI:8836
chemspiderid: 171184
dtxsid: DTXSID10181652
formula: C21H21NO6
inchikey: XRBIHOLQAKITPP-SBHAEUEKSA-N
norman_susdat_id: NS00094621
pubchem_cid: 197775
smiles: CO[C@H]1O[C@H]2[C@H](N(C)CCC3=CC4=C(OCO4)C=C23)C2=C1C1=C(OCO1)C=C2
inchi:
InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1


name: 2-(diphenylamino)-5-[(3-ethyl-3H-benzoxazol-2-ylidene)ethylidene]thiazol-4(5H)-one
cas: 2718-77-6
formula: C26H21N3O2S
inchikey: ITFOFRBMZFRAFD-UHFFFAOYSA-N
norman_susdat_id: NS00049472
pubchem_cid: 102318
smiles: O=C1N=C(SC1=CC=C2OC=3C=CC=CC3N2CC)N(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C26H21N3O2S/c1-2-28-21-15-9-10-16-22(21)31-24(28)18-17-23-25(30)27-26(32-23)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3


name: 4(5H)-Thiazolone, 2-(diphenylamino)-5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-
cas: 2718-78-7
chemspiderid: 4941522
dtxsid: DTXSID8062604
formula: C26H21N3O1S2
inchikey: BOMGUORSURCISS-UHFFFAOYSA-N
norman_susdat_id: NS00028267
pubchem_cid: 102319
smiles: CCn1/c(=CC=C2/SC(=NC2=O)N(c2ccccc2)c2ccccc2)/sc2ccccc12
inchi:
InChI=1S/C26H21N3OS2/c1-2-28-21-15-9-10-16-22(21)31-24(28)18-17-23-25(30)27-26(32-23)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3/b23-17-,24-18+


name: Disodium 4,4'-diazidostilbene-2,2'-disulphonate
cas: 2718-90-3
dtxsid: DTXSID60889459
formula: C14H12N6O6S2
inchikey: HYYYTIDWAIQGHI-SEPHDYHBSA-L
norman_susdat_id: NS00049441
pubchem_cid: NA
smiles: [Na+].[Na+].[N-]=[N+]=NC1=CC=C(C=CC2=CC=C(N=[N+]=[N-])C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H10N6O6S2.2Na/c15-19-17-11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(18-20-16)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 3-ethylhexahydro-3-(3-methoxyphenyl)-1-methyl-1H-azepinium bromide
cas: 27180-93-4
dtxsid: DTXSID80949923
formula: C16H25NO
inchikey: CJYWSCFDTNTWQR-UHFFFAOYSA-N
norman_susdat_id: NS00049711
pubchem_cid: 11970584
smiles: [Br-].O(C1=CC=CC(=C1)C2(CC)CCCC[NH+](C)C2)C
inchi:
InChI=1/C16H25NO.BrH/c1-4-16(10-5-6-11-17(2)13-16)14-8-7-9-15(12-14)18-3;/h7-9,12H,4-6,10-11,13H2,1-3H3;1H


name: Phenol, 4,4'-[1,4-phenylenebis(azo)]bis[3-methyl-
cas: 27184-69-6
dtxsid: DTXSID8067284
formula: C20H18N4O2
inchikey: ZSSHNGKTCZEMRU-UHFFFAOYSA-N
norman_susdat_id: NS00049712
pubchem_cid: 117944
smiles: OC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3C)C=C2)C(=C1)C
inchi:
InChI=1/C20H18N4O2/c1-13-11-17(25)7-9-19(13)23-21-15-3-5-16(6-4-15)22-24-20-10-8-18(26)12-14(20)2/h3-12,25-26H,1-2H3


name: N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-ethoxyphenyl]acetamide
cas: 27189-31-7
dtxsid: DTXSID90885383
formula: C20H25BrN6O8
inchikey: CZRLMQSJSAOTOP-UHFFFAOYSA-N
norman_susdat_id: NS00049109
pubchem_cid: 21119720
smiles: O=C(NC=1C=C(C(OCC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO)C
inchi:
InChI=1/C20H23BrN6O8/c1-3-35-19-11-16(15(22-12(2)30)10-17(19)25(4-6-28)5-7-29)23-24-20-14(21)8-13(26(31)32)9-18(20)27(33)34/h8-11,28-29H,3-7H2,1-2H3,(H,22,30)


name: Tributyl(nicotinoyloxy)stannane
cas: 27189-59-9
dtxsid: DTXSID30181654
formula: C18H31NO2Sn
inchikey: RXWDMDWQNOJWJY-UHFFFAOYSA-M
norman_susdat_id: NS00049703
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C=NC=CC1
inchi:
InChI=1/C6H5NO2.3C4H9.Sn/c8-6(9)5-2-1-3-7-4-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H31NO2Sn/c1-4-7-13-22(14-8-5-2,15-9-6-3)21-18(20)17-11-10-12-19-16-17/h10-12,16H,4-9,13-15H2,1-3H3


name: BENZENE, (1-PENTYLHEPTYL)-
cas: 2719-62-2
chebiid: CHEBI:77516
chemspiderid: 16663
dtxsid: DTXSID70875106
formula: C18H30
inchikey: ZYHJQFMTTFCBKH-UHFFFAOYSA-N
norman_susdat_id: NS00008712
pubchem_cid: 17629
smiles: CCCCCCC(CCCCC)c1ccccc1
inchi:
InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3


name: 5-phenyldodecane
cas: 2719-63-3
chebiid: CHEBI:77515
dtxsid: DTXSID30875107
formula: C18H30
inchikey: NPAWGLOPXKCTCV-UHFFFAOYSA-N
norman_susdat_id: NS00049473
pubchem_cid: 17630
smiles: C=1C=CC(=CC1)C(CCCC)CCCCCCC
inchi:
InChI=1/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3


name: 4-phenyldodecane
cas: 2719-64-4
dtxsid: DTXSID10875105
formula: C18H30
inchikey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
norman_susdat_id: NS00048876
pubchem_cid: 17631
smiles: C=1C=CC(=CC1)C(CCC)CCCCCCCC
inchi:
InChI=1/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3


name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl, dioctadecanoate
cas: 27195-16-0
chemspiderid: 4514602
dtxsid: DTXSID00181661
formula: C48H90O13
inchikey: MZNXRHOLDWQYRX-UHFFFAOYSA-N
norman_susdat_id: NS00014137
pubchem_cid: NA
inchi:
InChI=1S/C48H90O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(52)58-46-44(56)42(54)38(35-49)60-48(46,47(37-51)45(57)43(55)39(36-50)59-47)61-41(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51,54-57H,3-37H2,1-2H3/t38-,39-,42-,43-,44+,45+,46-,47+,48+/m1/s1

smiles:
CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1(OC(=O)CCCCCCCCCCCCCCCCC)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O


name: 5-Androstan-3-17-diol-3-glucosiduronate (3-diol-3G)
cas: 27195-25-1
chebiid: CHEBI:172699
chemspiderid: 2299165
dtxsid: DTXSID40949929
formula: C25H40O8
inchikey: TWDCYBTXSUNASK-WGGIPMEBSA-N
norman_susdat_id: NS00100922
pubchem_cid: 3034755
inchi:
InChI=1S/C25H40O8/c1-24-9-7-13(32-23(31)21-19(28)18(27)20(29)22(30)33-21)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-22,26-30H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,24-,25-/m0/s1

smiles:
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)OC(=O)[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)O)O)O)O


name: Tramadol
cas: 27203-92-5
chebiid: CHEBI:75725
chemspiderid: 31105
dtxsid: DTXSID90858931
formula: C16H25N1O2
inchikey: TVYLLZQTGLZFBW-ZBFHGGJFSA-N
norman_susdat_id: NS00000338
pubchem_cid: 33741
smiles: COC1=CC=CC(=C1)[C@@]2(O)CCCC[C@@H]2CN(C)C
inchi:
InChI=1S/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/t14-,16+/m1/s1


name: 2,2'-[sulphonylbis(4,1-phenyleneoxy)]bisethanol
cas: 27205-03-4
dtxsid: DTXSID70181678
formula: C16H18O6S
inchikey: UTNSTOOXQPHXJQ-UHFFFAOYSA-N
norman_susdat_id: NS00049110
pubchem_cid: 95071
smiles: O=S(=O)(C1=CC=C(OCCO)C=C1)C2=CC=C(OCCO)C=C2
inchi:
InChI=1/C16H18O6S/c17-9-11-21-13-1-5-15(6-2-13)23(19,20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2


name: Disodium 3,3'-dithiobis[propanesulphonate]
cas: 27206-35-5
formula: C6H14O6S4.2Na
inchikey: WIYCQLLGDNXIBA-UHFFFAOYSA-L
norman_susdat_id: NS00084161
smiles: [Na+].[Na+].[O-]S(=O)(=O)CCCSSCCCS(=O)(=O)[O-]
inchi:
InChI=1/C6H14O6S4.2Na/c7-15(8,9)5-1-3-13-14-4-2-6-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2


name: Piceid
cas: 27208-80-6
chebiid: CHEBI:8198
dtxsid: DTXSID20897454
formula: C20H22O8
inchikey: HSTZMXCBWJGKHG-CUYWLFDKSA-N
norman_susdat_id: NS00069817
pubchem_cid: 5281718
smiles: OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1


name: Decanedioic acid, diisooctyl ester
cas: 27214-90-0
chemspiderid: 68042
dtxsid: DTXSID3067287
formula: C26H50O4
inchikey: ZWYAVGUHWPLBGT-UHFFFAOYSA-N
norman_susdat_id: NS00021975
pubchem_cid: 117949
smiles: CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3


name: Diisooctyl hydrogen phosphate
cas: 27215-10-7
formula: C16H35O4P
inchikey: SNAMIIGIIUQQSP-UHFFFAOYSA-N
norman_susdat_id: NS00083791
smiles: CC(C)CCCCCOP(=O)(O)OCCCCCC(C)C
inchi:
InChI=1/C16H35O4P/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4/h15-16H,5-14H2,1-4H3,(H,17,18)


name: Neoandrographolide
cas: 27215-14-1
chemspiderid: 140766
formula: C26H40O8
inchikey: YGCYRQKJYWQXHG-RDNQFMDVSA-N
norman_susdat_id: NS00018053
pubchem_cid: 9848024
smiles: CC1(CCCC2(C1CCC(=C)C2CCC3=CCOC3=O)C)COC4C(C(C(C(O4)CO)O)O)O
inchi:
InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1


name: Benzyl isooctyl phthalate
cas: 27215-22-1
formula: C23H28O4
inchikey: OJTKBTGQAKWTED-UHFFFAOYSA-N
norman_susdat_id: NS00049716
pubchem_cid: 117950
smiles: O=C(OC1=CC=C(C=C1)C)C=2C=CC=CC2C(=O)OCCCCCC(C)C
inchi:
InChI=1/C23H28O4/c1-17(2)9-5-4-8-16-26-22(24)20-10-6-7-11-21(20)23(25)27-19-14-12-18(3)13-15-19/h6-7,10-15,17H,4-5,8-9,16H2,1-3H3


name: Sucrose acetate isobutyrate
cas: 27216-37-1
chemspiderid: 29072
dtxsid: DTXSID5029340
formula: C40H62O19
inchikey: ZNEBZIJCDDCNRC-SWTLDUCYSA-N
norman_susdat_id: NS00020780
pubchem_cid: 2735139
inchi:
InChI=1S/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1

smiles:
CC(C)C(=O)OC[C@@]1(O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C)O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C


name: SUCROSE MYRISTATE
cas: 27216-47-3
chemspiderid: NA
formula: C26H48O12
inchikey: ZDHFXSHOJAMQQP-UHFFFAOYSA-N
norman_susdat_id: NS00014138
pubchem_cid: NA
smiles: CCCCCCCCCCCCCC(=O)O[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O
inchi:
InChI=1S/C26H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(30)38-26(24(35)22(33)20(31)17(14-27)37-26)25(16-29)23(34)21(32)18(15-28)36-25/h17-18,20-24,27-29,31-35H,2-16H2,1H3/t17-,18-,20-,21-,22+,23+,24-,25+,26+/m1/s1


name: 17α-Methyl-androstan-3-hydroxyimine-17β-ol
cas: 2722-75-0
chemspiderid: 35519202
formula: C20H33N1O2
inchikey: OZDYENBGCZIXOP-ZYWZIWGGSA-N
norman_susdat_id: NS00018405
pubchem_cid: NA
smiles: C[C@@]12[C@](CC[C@@]2(O)C)([H])[C@]3([H])CC[C@@]4([H])C/C(CC[C@]4(C)[C@@]3([H])CC1)=N/O
inchi:
InChI=1S/C20H33NO2/c1-18-9-6-14(21-23)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22-23H,4-12H2,1-3H3/b21-14+/t13-,15+,16-,17-,18-,19-,20-/m0/s1


name: Econazole
cas: 27220-47-9
chebiid: CHEBI:82873
chemspiderid: 3086
dtxsid: DTXSID2029872
formula: C18H15Cl3N2O1
inchikey: LEZWWPYKPKIXLL-UHFFFAOYSA-N
norman_susdat_id: NS00005601
pubchem_cid: 3198
smiles: Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
inchi:
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2


name: 8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate
cas: 27220-59-3
formula: C25H34N2O9
inchikey: GYANSQKXOLFAFP-UHFFFAOYSA-N
norman_susdat_id: NS00049125
pubchem_cid: 3084472
smiles: O=CNC1=CC=CC(C(=O)NC2C(=O)OC(C)C(OC(=O)CCC)C(C(=O)OC2C)CCCC)=C1O
inchi:
InChI=1/C25H34N2O9/c1-5-7-10-17-22(36-19(29)9-6-2)15(4)35-25(33)20(14(3)34-24(17)32)27-23(31)16-11-8-12-18(21(16)30)26-13-28/h8,11-15,17,20,22,30H,5-7,9-10H2,1-4H3,(H,26,28)(H,27,31)


name: 8-ethyl-3-[[3-(formylamino)salicyloyl]amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl butyrate
cas: 27220-61-7
formula: C23H30N2O9
inchikey: XGXWTVAUUWDQJF-UHFFFAOYSA-N
norman_susdat_id: NS00049717
pubchem_cid: 16205039
smiles: O=CNC1=CC=CC(C(=O)NC2C(=O)OC(C)C(OC(=O)CCC)C(C(=O)OC2C)CC)=C1O
inchi:
InChI=1/C23H30N2O9/c1-5-8-17(27)34-20-13(4)33-23(31)18(12(3)32-22(30)14(20)6-2)25-21(29)15-9-7-10-16(19(15)28)24-11-26/h7,9-14,18,20,28H,5-6,8H2,1-4H3,(H,24,26)(H,25,29)


name: Ketazolam
cas: 27223-35-4
chebiid: CHEBI:135556
chemspiderid: 31110
dtxsid: DTXSID20865350
formula: C20H17Cl1N2O3
inchikey: PWAJCNITSBZRBL-UHFFFAOYSA-N
norman_susdat_id: NS00006477
pubchem_cid: 33746
smiles: CN1c2ccc(Cl)cc2C2(OC(C)=CC(=O)N2CC1=O)c1ccccc1
inchi:
InChI=1S/C20H17ClN2O3/c1-13-10-18(24)23-12-19(25)22(2)17-9-8-15(21)11-16(17)20(23,26-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3


name: Ethyl N2-benzoyl-L-argininate monohydrochloride
cas: 272-32-0
formula: C15H22N4O3.ClH
inchikey: HIXDELXKSSLIKB-YDALLXLXSA-N
norman_susdat_id: NS00082987
smiles: Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1
inchi:
InChI=1/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H


name: GLYCERYL TRIACETYL HYDROXYSTEARATE
cas: 27233-00-7
chemspiderid: 105401
formula: C63H116O12
inchikey: GKLLDHHZSUEWRE-UHFFFAOYSA-N
norman_susdat_id: NS00013708
pubchem_cid: 117954
smiles: CC(=O)OCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCOC(C)=O)OC(=O)CCCCCCCCCCCCCCCCCOC(C)=O
inchi:
InChI=1S/C63H116O12/c1-57(64)70-52-46-40-34-28-22-16-10-4-7-13-19-25-31-37-43-49-61(67)73-55-60(75-63(69)51-45-39-33-27-21-15-9-6-12-18-24-30-36-42-48-54-72-59(3)66)56-74-62(68)50-44-38-32-26-20-14-8-5-11-17-23-29-35-41-47-53-71-58(2)65/h60H,4-56H2,1-3H3


name: Sodium hexadecenyl sulphate
cas: 27236-51-7
dtxsid: DTXSID7067291
formula: C16H32O4S
inchikey: MATKDLDRCBUYET-UHFFFAOYSA-M
norman_susdat_id: NS00049127
pubchem_cid: 117956
smiles: [Na+].O=S(=O)([O-])OC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C16H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h15-16H,2-14H2,1H3,(H,17,18,19);/q;+1/p-1


name: (Triphenylbuta-1,3-dienyl)benzene
cas: 27236-84-6
chemspiderid: 2283520
dtxsid: DTXSID10181692
formula: C28H22
inchikey: KLZOQPDGMFKODC-UHFFFAOYSA-N
norman_susdat_id: NS00028274
pubchem_cid: 3015365
smiles: C=C(C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H22/c1-22(23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)28(25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21H,1H2


name: 3ß-hydroxy-5a-pregn-16-ene-11,20-dione 3-acetate
cas: 2724-68-7
formula: C23H32O4
inchikey: JAZBMNIJZWDVQJ-BLDHYFSKSA-N
norman_susdat_id: NS00084006
smiles: CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(=O)C)[C@@]4(C)CC(=O)[C@H]23)C1
inchi:
InChI=1/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h7,15-17,19,21H,5-6,8-12H2,1-4H3


name: Flubendiamide
cas: 272451-65-7
chebiid: CHEBI:38798
chemspiderid: 9368325
dtxsid: DTXSID4047672
formula: C23H22F7I1N2O4S1
inchikey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
norman_susdat_id: NS00004502
pubchem_cid: 11193251
smiles: Cc1cc(ccc1NC(=O)c1cccc(I)c1C(O)=NC(C)(C)CS(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)


name: 1-Propanone, 1-[4-[(4-benzoylphenyl)thio]phenyl]-2-methyl-2-[(4-methylphenyl)sulfonyl]-
cas: 272460-97-6
chemspiderid: 10756005
dtxsid: DTXSID60889156
formula: C30H26O4S2
inchikey: JZKPKNSYAHAKJY-UHFFFAOYSA-N
norman_susdat_id: NS00020177
pubchem_cid: 22019766
smiles: CC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)C(=O)C4=CC=CC=C4
inchi:
InChI=1S/C30H26O4S2/c1-21-9-19-27(20-10-21)36(33,34)30(2,3)29(32)24-13-17-26(18-14-24)35-25-15-11-23(12-16-25)28(31)22-7-5-4-6-8-22/h4-20H,1-3H3


name: 2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol
cas: 2725-22-6
chebiid: CHEBI:143238
chemspiderid: 10632726
dtxsid: DTXSID5051949
formula: C33H39N3O2
inchikey: ZSSVCEUEVMALRD-UHFFFAOYSA-N
norman_susdat_id: NS00020178
pubchem_cid: NA
smiles: CCCCCCCCOc1cc(O)c(c2nc(c3c(C)cc(C)cc3)nc(c4c(C)cc(C)cc4)n2)cc1
inchi:
InChI=1S/C33H39N3O2/c1-6-7-8-9-10-11-18-38-26-14-17-29(30(37)21-26)33-35-31(27-15-12-22(2)19-24(27)4)34-32(36-33)28-16-13-23(3)20-25(28)5/h12-17,19-21,37H,6-11,18H2,1-5H3


name: Triisooctyl benzene-1,2,4-tricarboxylate
cas: 27251-75-8
dtxsid: DTXSID6027929
formula: C33H54O6
inchikey: WDRCVXGINNJWPH-UHFFFAOYSA-N
norman_susdat_id: NS00049801
pubchem_cid: 21871905
smiles: O=C(OCCCCCC(C)C)C1=CC=C(C(=O)OCCCCCC(C)C)C(=C1)C(=O)OCCCCCC(C)C
inchi:
InChI=1/C33H54O6/c1-25(2)16-10-7-13-21-37-31(34)28-19-20-29(32(35)38-22-14-8-11-17-26(3)4)30(24-28)33(36)39-23-15-9-12-18-27(5)6/h19-20,24-27H,7-18,21-23H2,1-6H3


name: Diisotridecyl phthalate
cas: 27253-26-5
chemspiderid: 141908
dtxsid: DTXSID60873994
formula: C34H58O4
inchikey: BCSGAWBQJHXXSE-UHFFFAOYSA-N
norman_susdat_id: NS00004533
pubchem_cid: 161559
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C34H58O4/c1-29(2)23-17-13-9-5-7-11-15-21-27-37-33(35)31-25-19-20-26-32(31)34(36)38-28-22-16-12-8-6-10-14-18-24-30(3)4/h19-20,25-26,29-30H,5-18,21-24,27-28H2,1-4H3


name: Phenylacetyl 7-aminodesacetoxycephalosporanic acid
cas: 27255-72-7
chemspiderid: 147546
dtxsid: DTXSID00181707
formula: C16H16N2O4S1
inchikey: CIPQGGYPCPIDBB-IUODEOHRSA-N
norman_susdat_id: NS00028276
pubchem_cid: 168674
smiles: CC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(=O)O
inchi:
InChI=1S/C16H16N2O4S/c1-9-8-23-15-12(14(20)18(15)13(9)16(21)22)17-11(19)7-10-5-3-2-4-6-10/h2-6,12,15H,7-8H2,1H3,(H,17,19)(H,21,22)/t12-,15-/m1/s1


cas: 27268-31-1
formula: C19H19N3O4S
inchikey: GSFOLXRTBCOVNG-UHFFFAOYSA-M
norman_susdat_id: NS00050504
pubchem_cid: 118585
smiles: [K+].O=C1C(=CC2=CC=C(C=C2)N(C)C)C(=NN1C3=CC=C(C=C3)S(=O)(=O)[O-])C
name:
Potassium 4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H19N3O4S.K/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27(24,25)26;/h4-12H,1-3H3,(H,24,25,26);/q;+1/p-1


name: Sodium 6-(3,4,5-trimethoxybenzamido)hexanoate
cas: 27276-25-1
formula: C16H23NO6.Na
inchikey: SNOOUWRIMMFWNE-UHFFFAOYSA-M
norman_susdat_id: NS00083515
smiles: [Na+].COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)[O-]
inchi:
InChI=1/C16H23NO6.Na/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19;/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19);/q;+1/p-1


name: A-620223
cas: 272769-49-0
dtxsid: DTXSID40181726
formula: C16H22N4O
inchikey: KXSIHXHEHABEJX-UHFFFAOYSA-N
norman_susdat_id: NS00072044
pubchem_cid: 9925908
smiles: CCCN1CCC(c2nc3c(C(N)=O)cccc3[nH]2)CC1
inchi:
InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)


name: (2-hydroxyethyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 272-78-5
formula: C25H53N2O2.Cl
inchikey: ZFPJLSHASOGDBD-UHFFFAOYSA-N
norman_susdat_id: NS00083653
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
inchi:
InChI=1/C25H52N2O2.ClH/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;1H


name: Tyropanic acid
cas: 27293-82-9
chemspiderid: 5409
dtxsid: DTXSID5048269
formula: C15H18I3N1O3
inchikey: YMOXVLQZFAUUKI-UHFFFAOYNA-N
norman_susdat_id: NS00028280
pubchem_cid: NA
smiles: CCCC(=O)Nc1c(I)c(CC(CC)C(=O)O)c(I)cc1I
inchi:
InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)/t8-/m1/s1


name: Thiocholchicine
cas: 2730-71-4
chemspiderid: 16681
dtxsid: DTXSID90181751
formula: C22H25N1O5S1
inchikey: CMEGANPVAXDBPL-INIZCTEOSA-N
norman_susdat_id: NS00007727
pubchem_cid: 17648
smiles: COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
inchi:
InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1


name: Oxychlordane
cas: 27304-13-8
chemspiderid: 34451893
dtxsid: DTXSID9044166
formula: C10H4Cl8O
inchikey: VWGNQYSIWFHEQU-KGEUUOKHSA-N
norman_susdat_id: NS00073928
pubchem_cid: 13785700
smiles: Cl[C@H]1[C@H]2[C@@H]([C@H]3O[C@@]13Cl)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
inchi:
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m1/s1


name: 7-Amino-1,3,5-naphthalenetrisulfonic acid
cas: 27310-25-4
chemspiderid: 95259
dtxsid: DTXSID7067299
formula: C10H9N1O9S3
inchikey: HKTWHHAJDJCUPC-UHFFFAOYSA-N
norman_susdat_id: NS00001629
pubchem_cid: 105679
smiles: Nc1cc(c2cc(cc(c2c1)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C10H9NO9S3/c11-5-1-7-8(9(2-5)22(15,16)17)3-6(21(12,13)14)4-10(7)23(18,19)20/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)


name: 1-5-diamino-2-bromo-4,8-dihydroxyanthraquinone
cas: 27312-17-0
formula: C14H9BrN2O4
inchikey: HZUBBVGKQQJUME-UHFFFAOYSA-N
norman_susdat_id: NS00083517
smiles: Nc1ccc(O)c2C(=O)c3c(N)c(Br)cc(O)c3C(=O)c12
inchi:
InChI=1/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2


name: 9,10-Anthracenedione, 4,8-diamino-2-bromo-1,5-dihydroxy-
cas: 27312-18-1
chemspiderid: 105412
dtxsid: DTXSID4067301
formula: C14H9Br1N2O4
inchikey: AIARLPIXVMHZLJ-UHFFFAOYSA-N
norman_susdat_id: NS00020289
pubchem_cid: 117969
smiles: Nc1ccc(O)c2c1C(=O)c1c(c(N)cc(Br)c1O)C2=O
inchi:
InChI=1S/C14H9BrN2O4/c15-4-3-6(17)9-11(12(4)19)14(21)8-5(16)1-2-7(18)10(8)13(9)20/h1-3,18-19H,16-17H2


name: (R,S)-N-acetyl-(3,4-dimethoxyphenyl)-alanine, monohydrate
cas: 27313-65-1
chemspiderid: 3455424
formula: C13H17N1O5
inchikey: CDJLVVKXGZXTPW-UHFFFAOYSA-N
norman_susdat_id: NS00004877
pubchem_cid: 4247256
smiles: COc1ccc(CC(NC(C)=O)C(O)=O)cc1OC
inchi:
InChI=1S/C13H17NO5/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17)


name: Pipebuzone [INN:DCF]
cas: 27315-91-9
chebiid: CHEBI:135680
chemspiderid: 64928
dtxsid: DTXSID80181760
formula: C25H32N4O2
inchikey: XGNKHIPCARGLGS-UHFFFAOYSA-N
norman_susdat_id: NS00028283
pubchem_cid: 71917
smiles: CCCCC1(CN2CCN(C)CC2)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H32N4O2/c1-3-4-15-25(20-27-18-16-26(2)17-19-27)23(30)28(21-11-7-5-8-12-21)29(24(25)31)22-13-9-6-10-14-22/h5-14H,3-4,15-20H2,1-2H3


name: N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-L-alanine
cas: 27317-69-7
chemspiderid: 5360699
formula: C11H20N2O5
inchikey: BZNDDHWTEVCBAD-BQBZGAKWSA-N
norman_susdat_id: NS00004174
pubchem_cid: 6992569
smiles: C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(O)=O
inchi:
InChI=1S/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7-/m0/s1


name: CHOLETH-15
cas: 27321-96-6
chemspiderid: 7978553
formula: C29H50O2
inchikey: NPYXBHZQVNRAOF-UHFFFAOYSA-N
norman_susdat_id: NS00013463
pubchem_cid: 174869
smiles: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OCCO
inchi:
InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3


name: Dodecylbenzenesulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 27323-41-7
formula: C18H30O3S.C6H15NO3
inchikey: JHWLWOYSFJIYQV-UHFFFAOYSA-N
norman_susdat_id: NS00083831
smiles: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C18H30O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;8-4-1-7(2-5-9)3-6-10/h13-16H,2-12H2,1H3,(H,19,20,21);8-10H,1-6H2


name: Bis[2-[2-isopropyloxazolidin-3-yl]ethyl] adipate
cas: 27325-78-6
dtxsid: DTXSID50865363
formula: C22H40N2O6
inchikey: BIRCERFPGAAFFQ-UHFFFAOYSA-N
norman_susdat_id: NS00049171
pubchem_cid: 117388
smiles: O=C(OCCN1CCOC1C(C)C)CCCCC(=O)OCCN2CCOC2C(C)C
inchi:
InChI=1/C22H40N2O6/c1-17(2)21-23(11-15-29-21)9-13-27-19(25)7-5-6-8-20(26)28-14-10-24-12-16-30-22(24)18(3)4/h17-18,21-22H,5-16H2,1-4H3


name: 2-[2-(3,4-dihydro-6-methoxy-1(2H)-quinolyl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 27326-17-6
dtxsid: DTXSID70885386
formula: C23H27N2O
inchikey: XXMSBXHSVOHTIJ-UHFFFAOYSA-M
norman_susdat_id: NS00049841
pubchem_cid: NA
smiles: [Cl-].O(C1=CC=C2C(=C1)CCCN2C=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C
inchi:
InChI=1/C23H27N2O.ClH/c1-23(2)19-9-5-6-10-21(19)24(3)22(23)13-15-25-14-7-8-17-16-18(26-4)11-12-20(17)25;/h5-6,9-13,15-16H,7-8,14H2,1-4H3;1H/q+1;/p-1


name: cis-12-Octadecenoic acid methyl ester
cas: 2733-86-0
chebiid: CHEBI:167731
dtxsid: DTXSID70514104
formula: C19H36O2
inchikey: LMWAESDDOGRMOK-FPLPWBNLSA-N
norman_susdat_id: NS00096472
smiles: CCCCC/C=CCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8H,3-6,9-18H2,1-2H3/b8-7-


name: Methyl (Z)-tetracos-15-enoate
cas: 2733-88-2
chebiid: CHEBI:143592
formula: C25H48O2
inchikey: AINIZSBLAFHZCP-KHPPLWFESA-N
norman_susdat_id: NS00049659
pubchem_cid: 5364841
smiles: O=C(OC)CCCCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3


name: cis-5,8,11,14,17-Eicosapentaenoic acid methyl ester
cas: 2734-47-6
chebiid: CHEBI:143585
formula: C21H32O2
inchikey: QWDCYFDDFPWISL-JEBPEJKESA-N
norman_susdat_id: NS00096665
smiles: CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC
inchi:
InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-


name: C.I. Disperse Red 19
cas: 2734-52-3
chemspiderid: 16684
dtxsid: DTXSID7062613
formula: C16H18N4O4
inchikey: GHDZRIQTRDZCMV-UHFFFAOYSA-N
norman_susdat_id: NS00021094
pubchem_cid: 17651
smiles: OCCN(CCO)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H18N4O4/c21-11-9-19(10-12-22)15-5-1-13(2-6-15)17-18-14-3-7-16(8-4-14)20(23)24/h1-8,21-22H,9-12H2/b18-17+


cas: 27344-06-5
inchikey: KXZDXBWYWMOFCR-UHFFFAOYSA-L
norman_susdat_id: NS00078256
name:
disodium 4,4'-bis[[4-anilino-6-[(2-carbamoylethyl)(2-hydroxyethyl)amino]-1,3,5,-triazin-2-yl]amino]stilbene-2,2'-disulphonate

smiles:
[Na+].[Na+].NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(CCO)CCC(N)=O)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)n1


name: Tetramethyl [[1,1'-biphenyl]-4,4'-diylbis(methylene)]bisphosphonate
cas: 27344-43-0
dtxsid: DTXSID00950056
formula: C18H24O6P2
inchikey: YVTQGHMZUNKCTQ-UHFFFAOYSA-N
norman_susdat_id: NS00050338
pubchem_cid: 11825473
smiles: O=P(OC)(OC)CC1=CC=C(C=C1)C=2C=CC(=CC2)CP(=O)(OC)OC
inchi:
InChI=1/C18H24O6P2/c1-21-25(19,22-2)13-15-5-9-17(10-6-15)18-11-7-16(8-12-18)14-26(20,23-3)24-4/h5-12H,13-14H2,1-4H3


name: (dihydroxyphenyl)phenylmercury
cas: 27360-58-3
formula: C12H10HgO2
inchikey: DNZXWDUPPLHSQL-UHFFFAOYSA-N
norman_susdat_id: NS00083825
smiles: OC=2\C=C(\O)/C=C\C=2[Hg]c1ccccc1
inchi:
InChI=1/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;/rC12H10HgO2/c14-10-6-7-11(12(15)8-10)13-9-4-2-1-3-5-9/h1-8,14-15H


name: Niaprazine
cas: 27367-90-4
chebiid: CHEBI:135505
chemspiderid: 64930
formula: C20H25F1N4O1
inchikey: RSKQGBFMNPDPLR-UHFFFAOYSA-N
norman_susdat_id: NS00006939
pubchem_cid: 71919
smiles: CC(CCN1CCN(CC1)c1ccc(F)cc1)N=C(O)c1cccnc1
inchi:
InChI=1S/C20H25FN4O/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26)


cas: 273737-91-0
dtxsid: DTXSID00882787
norman_susdat_id: NS00108905
name:
Siloxanes and Silicones, 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propyl hydroxy, hydroxy 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl, hydroxy-terminated, formates (salts)


name: D-glucitol monomyristate
cas: 27379-58-4
formula: C20H40O7
inchikey: QNOBYPFIKDXBPL-PIKOESSRSA-N
norman_susdat_id: NS00049798
pubchem_cid: 22807268
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCCCC
inchi:
InChI=1/C20H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(24)27-15-17(23)20(26)19(25)16(22)14-21/h16-17,19-23,25-26H,2-15H2,1H3


name: D-glucitol monodocosanoate
cas: 27379-61-9
formula: C28H56O7
inchikey: VQKVFXNUYRALRU-QEFMBMMRSA-N
norman_susdat_id: NS00050339
pubchem_cid: 54405555
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(32)35-23-25(31)28(34)27(33)24(30)22-29/h24-25,27-31,33-34H,2-23H2,1H3


name: Piericidin A
cas: 2738-64-9
chebiid: CHEBI:138511
dtxsid: DTXSID80880044
formula: C25H37NO4
inchikey: BBLGCDSLCDDALX-LKGBESRRSA-N
norman_susdat_id: NS00097145
smiles: C/C=C(C)/[C@@H]([C@H](C)/C=C(C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O
inchi:
InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1


name: Decanedioic acid, ditridecyl ester
cas: 2741-62-0
chemspiderid: 68469
dtxsid: DTXSID7062619
formula: C36H70O4
inchikey: DNWILILLQPIREP-UHFFFAOYSA-N
norman_susdat_id: NS00021978
pubchem_cid: 75968
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O4/c1-3-5-7-9-11-13-15-17-21-25-29-33-39-35(37)31-27-23-19-20-24-28-32-36(38)40-34-30-26-22-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: 2,5-dimethoxy-4-[(p-tolyl)thio]benzenediazonium tetrafluoroborate
cas: 27413-92-9
dtxsid: DTXSID00950096
formula: C15H15N2O2S
inchikey: OATQTPAYCSQNHI-UHFFFAOYSA-N
norman_susdat_id: NS00050328
pubchem_cid: 16205041
smiles: N#[N+]C=1C=C(OC)C(SC2=CC=C(C=C2)C)=CC1OC.F[B-](F)(F)F
inchi:
InChI=1/C15H15N2O2S.BF4/c1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1


name: Disodium 2-(1,3-dihydro-3-oxo-7-sulphonato-2H-indol-2-ylidene)-3-oxoindoline-5-sulphonate
cas: 27414-68-2
formula: C16H10N2O8S2
inchikey: QVTMQQLVIHWZOG-UHFFFAOYSA-L
norman_susdat_id: NS00049799
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C2=CC=CC(=C2NC1=C3NC4=CC=C(C=C4C3=O)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C16H10N2O8S2.2Na/c19-15-8-2-1-3-11(28(24,25)26)12(8)18-14(15)13-16(20)9-6-7(27(21,22)23)4-5-10(9)17-13;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-
cas: 27425-55-4
chemspiderid: 85175
dtxsid: DTXSID4067309
formula: C20H19N3O2
inchikey: GOLORTLGFDVFDW-UHFFFAOYSA-N
norman_susdat_id: NS00020502
pubchem_cid: 94381
smiles: CCN(CC)c1cc2c(cc1)cc(c1nc3c([nH]1)cccc3)c(=O)o2
inchi:
InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)


cas: 27425-58-7
formula: C43H27CrN6O8S.2Na
inchikey: LVSSSXCCKHGHGL-UHFFFAOYSA-I
norman_susdat_id: NS00083826
name:
Disodium [3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]naphthalene-1-sulphonato(3-)][1-[[2-hydroxy-5-[(2-methoxyphenyl)azo]phenyl]azo]-2-naphtholato(2-)]chromate(2-)

inchi:
InChI=1/C23H18N4O3.C20H14N2O5S.Cr.2Na/c1-30-22-9-5-4-8-18(22)25-24-16-11-13-20(28)19(14-16)26-27-23-17-7-3-2-6-15(17)10-12-21(23)29;23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2-14,28-29H,1H3;1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5/rC43H28CrN6NaO8S.Na/c1-55-36-17-9-8-16-33(36)46-45-28-20-23-37-34(24-28)47-49-42-30-13-5-3-11-27(30)19-22-38(42)57-44(56-37)58-39-25-40(60(53,54)59-51)31-14-6-7-15-32(31)43(39)50-48-41-29-12-4-2-10-26(29)18-21-35(41)52;/h2-25,52H,1H3;/q;+1/p-1

smiles:
COc1ccccc1N=Nc2ccc3O[Cr](Oc4cc(c5ccccc5c4N=Nc6c(O[Na])ccc7ccccc67)S(=O)(=O)O[Na])Oc8ccc9ccccc9c8N=Nc3c2


name: Dibenzoyl-L-tartaric acid
cas: 2743-38-6
chemspiderid: 68470
dtxsid: DTXSID6033401
formula: C18H14O8
inchikey: YONLFQNRGZXBBF-ZIAGYGMSSA-N
norman_susdat_id: NS00003454
pubchem_cid: 75969
smiles: OC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(O)=O
inchi:
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m1/s1


name: Benzenesulfonamide, 4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-
cas: 2744-49-2
chemspiderid: 68473
dtxsid: DTXSID6062620
formula: C15H14Cl1N3O2S1
inchikey: VZTHUHAJEZPWNC-UHFFFAOYSA-N
norman_susdat_id: NS00021096
pubchem_cid: 75972
smiles: NS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C15H14ClN3O2S/c16-12-3-1-11(2-4-12)15-9-10-19(18-15)13-5-7-14(8-6-13)22(17,20)21/h1-8H,9-10H2,(H2,17,20,21)


name: 3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) ester
cas: 2744-50-5
chemspiderid: 68474
dtxsid: DTXSID1062621
formula: C30H28O4
inchikey: YLNJGHNUXCVDIX-UHFFFAOYSA-N
norman_susdat_id: NS00019715
pubchem_cid: 75973
smiles: CC(C)COC(=O)c1ccc2c3cccc4c(ccc(c5c2c1ccc5)c34)C(=O)OCC(C)C
inchi:
InChI=1S/C30H28O4/c1-17(2)15-33-29(31)25-13-11-23-20-8-6-10-22-26(30(32)34-16-18(3)4)14-12-24(28(20)22)19-7-5-9-21(25)27(19)23/h5-14,17-18H,15-16H2,1-4H3


name: Sodium 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanesulphonate
cas: 27441-70-9
dtxsid: DTXSID50885389
formula: C17H17ClN2O5S2
inchikey: CUKVLWAEAKAWHX-UHFFFAOYSA-M
norman_susdat_id: NS00051146
pubchem_cid: 117978
smiles: [Na+].O=S(=O)([O-])CCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
inchi:
InChI=1/C17H17ClN2O5S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)26(21,22)11-12-27(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1


name: 5'-[bis(2-cyanoethyl)amino]-2'-[(2,6-dichloro-4-nitrophenyl)azo]acetanilide
cas: 27447-29-6
formula: C20H18Cl2N7O3
inchikey: VRPSNSOURXIFQL-UHFFFAOYSA-N
norman_susdat_id: NS00049862
pubchem_cid: 3015377
smiles: N#CCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C(=C1)NC(=O)C)CCC#N
inchi:
InChI=1/C20H17Cl2N7O3/c1-13(30)25-19-12-14(28(8-2-6-23)9-3-7-24)4-5-18(19)26-27-20-16(21)10-15(29(31)32)11-17(20)22/h4-5,10-12H,2-3,8-9H2,1H3,(H,25,30)


name: 6-[3-(dimethylamino)propyl]-6,12-dihydro-benzofuro[3,2-c][1]benzoxepin-6-ol
cas: 27450-47-1
dtxsid: DTXSID00950132
formula: C21H23NO3
inchikey: APUUXJMNFYPFOE-UHFFFAOYSA-N
norman_susdat_id: NS00050395
pubchem_cid: 56843452
smiles: OC1(C=2OC=3C=CC=CC3C2COC=4C=CC=CC41)CCCN(C)C
inchi:
InChI=1/C21H23NO3/c1-22(2)13-7-12-21(23)17-9-4-6-11-19(17)24-14-16-15-8-3-5-10-18(15)25-20(16)21/h3-6,8-11,23H,7,12-14H2,1-2H3


name: Benzenesulfonic acid, 3-[[4-[[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]azo]-1-naphthalenyl]azo]-
cas: 27452-68-2
chemspiderid: 105423
dtxsid: DTXSID8067311
formula: C28H26N6O3S1
inchikey: UFXBCNONMFYXGQ-UHFFFAOYSA-N
norman_susdat_id: NS00028307
pubchem_cid: 117980
smiles: CCN(CCC#N)c1ccc(N=Nc2c3ccccc3c(cc2)N=Nc2cccc(c2)S(=O)(=O)O)c(C)c1
inchi:
InChI=1S/C28H26N6O3S/c1-3-34(17-7-16-29)22-12-13-26(20(2)18-22)31-33-28-15-14-27(24-10-4-5-11-25(24)28)32-30-21-8-6-9-23(19-21)38(35,36)37/h4-6,8-15,18-19H,3,7,17H2,1-2H3,(H,35,36,37)/b32-30+,33-31-


name: Disulfide, di-tert-dodecyl
cas: 27458-90-8
chebiid: CHEBI:84283
chemspiderid: 105424
dtxsid: DTXSID8067313
formula: C24H50S2
inchikey: LEDIWWJKWAMGLD-UHFFFAOYSA-N
norman_susdat_id: NS00021097
pubchem_cid: 117981
smiles: CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC
inchi:
InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3


name: Fluphenazine enanthate
cas: 2746-81-8
chebiid: CHEBI:5125
chemspiderid: 3272
dtxsid: DTXSID6023070
formula: C29H38F3N3O2S1
inchikey: LRWSFOSWNAQHHW-UHFFFAOYSA-N
norman_susdat_id: NS00028311
pubchem_cid: 3389
smiles: CCCCCCC(=O)OCCN1CCN(CCCN2c3c(Sc4c2cc(cc4)C(F)(F)F)cccc3)CC1
inchi:
InChI=1S/C29H38F3N3O2S/c1-2-3-4-5-11-28(36)37-21-20-34-18-16-33(17-19-34)14-8-15-35-24-9-6-7-10-26(24)38-27-13-12-23(22-25(27)35)29(30,31)32/h6-7,9-10,12-13,22H,2-5,8,11,14-21H2,1H3


name: Phosphoric acid, dodecyl diphenyl ester
cas: 27460-02-2
chemspiderid: 105425
dtxsid: DTXSID3067314
formula: C24H35O4P1
inchikey: DLZXXNAEQGRWPX-UHFFFAOYSA-N
norman_susdat_id: NS00002710
pubchem_cid: 117982
smiles: CCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C24H35O4P/c1-2-3-4-5-6-7-8-9-10-17-22-26-29(25,27-23-18-13-11-14-19-23)28-24-20-15-12-16-21-24/h11-16,18-21H,2-10,17,22H2,1H3


name: Ethanol, 2,2'-(3-methoxy-2-propoxyphenethyl)iminodi-, dicarbanilate, hydrochloride
cas: 27467-07-8
dtxsid: DTXSID50950147
formula: C30H38ClN3O6
inchikey: WTQNDMIEBYTLIK-UHFFFAOYSA-N
norman_susdat_id: NS00096731
smiles: CCCOC1=C(C=CC=C1OC)CC[NH+](CCOC(=O)NC2=CC=CC=C2)CCOC(=O)NC3=CC=CC=C3.[Cl-]
inchi:
InChI=1S/C30H37N3O6.ClH/c1-3-21-37-28-24(11-10-16-27(28)36-2)17-18-33(19-22-38-29(34)31-25-12-6-4-7-13-25)20-23-39-30(35)32-26-14-8-5-9-15-26;/h4-16H,3,17-23H2,1-2H3,(H,31,34)(H,32,35);1H


name: Almitrine
cas: 27469-53-0
chebiid: CHEBI:53778
chemspiderid: 31235
dtxsid: DTXSID4057899
formula: C26H29F2N7
inchikey: OBDOVFRMEYHSQB-UHFFFAOYSA-N
norman_susdat_id: NS00001356
pubchem_cid: 33887
smiles: Fc1ccc(cc1)C(N1CCN(CC1)c1nc(NCC=C)nc(NCC=C)n1)c1ccc(F)cc1
inchi:
InChI=1S/C26H29F2N7/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/h3-12,23H,1-2,13-18H2,(H2,29,30,31,32,33)


name: 1-[bis(4-fluorophenyl)methyl]piperazine
cas: 27469-60-9
dtxsid: DTXSID8057699
formula: C17H18F2N2
inchikey: TTXIFFYPVGWLSE-UHFFFAOYSA-N
norman_susdat_id: NS00050396
pubchem_cid: 152932
smiles: FC1=CC=C(C=C1)C(C2=CC=C(F)C=C2)N3CCNCC3
inchi:
InChI=1/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2


name: Ticagrelor
cas: 274693-27-5
chebiid: CHEBI:68558
chemspiderid: 8047109
dtxsid: DTXSID901009337
formula: C23H28F2N6O4S
inchikey: OEKWJQXRCDYSHL-FNOIDJSQSA-N
norman_susdat_id: NS00098771
pubchem_cid: 9871419
smiles: CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F
inchi:
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16+,17-,19-,20+/m0/s1


cas: 274693-53-7
chemspiderid: 26519506
dtxsid: DTXSID70477487
formula: C16H21N1O5
inchikey: VPICQZQITAJOQA-UHFFFAOYSA-N
norman_susdat_id: NS00002960
pubchem_cid: 21035776
smiles: CC1(C)OC2C(O)CC(NC(=O)OCc3ccccc3)C2O1
name:
Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-2H,3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate

inchi:
InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)


name: Suxibuzone
cas: 27470-51-5
chebiid: CHEBI:32173
chemspiderid: 5169
dtxsid: DTXSID6021296
formula: C24H26N2O6
inchikey: ONWXNHPOAGOMTG-UHFFFAOYSA-N
norman_susdat_id: NS00008152
pubchem_cid: 5362
smiles: CCCCC1(COC(=O)CCC(O)=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)


name: 2-(4-butoxyphenoxy)-N-(2,5-diethoxyphenyl)-N-[2-(diethylamino)ethyl]acetamide monohydrochloride
cas: 27471-60-9
dtxsid: DTXSID30181896
formula: C28H42N2O5
inchikey: UFFFQSODDRXNMI-UHFFFAOYSA-N
norman_susdat_id: NS00050388
pubchem_cid: 71731
smiles: Cl.O=C(N(C1=CC(OCC)=CC=C1OCC)CCN(CC)CC)COC2=CC=C(OCCCC)C=C2
inchi:
InChI=1/C28H42N2O5.ClH/c1-6-11-20-34-23-12-14-24(15-13-23)35-22-28(31)30(19-18-29(7-2)8-3)26-21-25(32-9-4)16-17-27(26)33-10-5;/h12-17,21H,6-11,18-20,22H2,1-5H3;1H


name: 2-(heptadecenyl)-2,3-dihydro-1H-imidazole-1-ethylamine
cas: 27476-93-3
formula: C22H43N3
inchikey: HZWMDAFUECSDJU-UHFFFAOYSA-N
norman_susdat_id: NS00050398
pubchem_cid: 119608
smiles: NCCN1C=CNC1CCCCC=CCCCCCCCCCCC
inchi:
InChI=1/C22H43N3/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/h12-13,19,21-22,24H,2-11,14-18,20,23H2,1H3


name: Ammonium butylnaphthalenesulphonate
cas: 27478-24-6
dtxsid: DTXSID60950173
formula: C14H16O3S
inchikey: JMBFLNGHLUPPOF-UHFFFAOYSA-N
norman_susdat_id: NS00049879
pubchem_cid: 168703
smiles: O=S(=O)([O-])C=1C=2C=CC=CC2C=CC1CCCC.[NH4+]
inchi:
InChI=1/C14H16O3S.H3N/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);1H3


name: Dodecyl(ethylbenzyl)dimethylammonium
cas: 27479-28-3
chemspiderid: 31266
formula: C23H42N1
inchikey: KXLOQZDPPMUHLF-UHFFFAOYSA-N
norman_susdat_id: NS00003658
pubchem_cid: 33918
smiles: CCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1
inchi:
InChI=1S/C23H42N/c1-5-7-8-9-10-11-12-13-14-15-20-24(3,4)21-23-18-16-22(6-2)17-19-23/h16-19H,5-15,20-21H2,1-4H3/q+1


name: (ethylbenzyl)dimethyltetradecylammonium chloride
cas: 27479-29-4
dtxsid: DTXSID40872369
formula: C25H46N
inchikey: OZOKZLKMPJQQJZ-UHFFFAOYSA-M
norman_susdat_id: NS00050399
pubchem_cid: 15089655
smiles: [Cl-].C=1C=CC(=C(C1)CC)C[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C25H46N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-19-22-26(3,4)23-25-21-18-17-20-24(25)6-2;/h17-18,20-21H,5-16,19,22-23H2,1-4H3;1H/q+1;/p-1


name: Bis(methylcyclohexyl) adipate
cas: 27479-35-2
chemspiderid: 2283533
dtxsid: DTXSID00181904
formula: C20H34O4
inchikey: QNQFYZMDBGPUMK-UHFFFAOYSA-N
norman_susdat_id: NS00028312
pubchem_cid: 3015380
smiles: CC1(CCCCC1)OC(=O)CCCCC(=O)OC1(C)CCCCC1
inchi:
InChI=1S/C20H34O4/c1-19(13-7-3-8-14-19)23-17(21)11-5-6-12-18(22)24-20(2)15-9-4-10-16-20/h3-16H2,1-2H3


name: Magnesium dodecylbenzenesulphonate
cas: 27479-45-4
formula: C18H30O3S.1/2Mg
inchikey: OQXSVLMHUIVNRJ-UHFFFAOYSA-L
norman_susdat_id: NS00084126
smiles: [Mg+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C18H30O3S.Mg/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


name: 4-methyl-1-tetradecylpyridinium chloride
cas: 2748-88-1
dtxsid: DTXSID2046834
formula: C20H36N
inchikey: ZCTSINFCZHUVLI-UHFFFAOYSA-M
norman_susdat_id: NS00048331
pubchem_cid: 17671
smiles: [Cl-].C=1C=[N+](C=CC1C)CCCCCCCCCCCCCC
inchi:
InChI=1/C20H36N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-21-18-15-20(2)16-19-21;/h15-16,18-19H,3-14,17H2,1-2H3;1H/q+1;/p-1


cas: 27482-50-4
dtxsid: DTXSID00950177
formula: C30H49N5O9
inchikey: WTVZRLMVNARECX-UHFFFAOYSA-N
norman_susdat_id: NS00097514
smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C(=O)O)C)C)C(C)C)C
name:
3-(3-sec-Butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl)-2-methylpropanoic acid

inchi:
InChI=1S/C30H49N5O9/c1-9-17(4)23-28(40)34(8)24(16(2)3)29(41)33(7)19(6)25(37)31-13-12-22(36)44-21(15-18(5)30(42)43)27(39)35-14-10-11-20(35)26(38)32-23/h16-21,23-24H,9-15H2,1-8H3,(H,31,37)(H,32,38)(H,42,43)


name: 5-amino-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile
cas: 27487-66-7
chemspiderid: 141913
dtxsid: DTXSID10893324
formula: C16H24N2O2
inchikey: UCWOSFAANAZHKR-UHFFFAOYSA-N
norman_susdat_id: NS00006763
pubchem_cid: 161569
smiles: COc1ccc(cc1OC)C(CCCN)(C#N)C(C)C
inchi:
InChI=1S/C16H24N2O2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,17H2,1-4H3


name: 5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
cas: 27487-83-8
dtxsid: DTXSID60950178
formula: C16H22ClNO2
inchikey: VDQLTWSIHIWIFQ-UHFFFAOYSA-N
norman_susdat_id: NS00050400
pubchem_cid: 619953
smiles: N#CC(C1=CC=C(OC)C(OC)=C1)(CCCCl)C(C)C
inchi:
InChI=1/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3


name: Vildagliptin
cas: 274901-16-5
chebiid: CHEBI:135285
chemspiderid: 5293734
dtxsid: DTXSID80881091
formula: C17H25N3O2
inchikey: SYOKIDBDQMKNDQ-XWTIBIIYSA-N
norman_susdat_id: NS00010516
pubchem_cid: 6918537
smiles: N#C[C@H]4N(C(=O)CNC13CC2CC(C1)CC(O)(C2)C3)CCC4
inchi:
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12?,13?,14-,16?,17?/m0/s1


name: Methylenedisalicylic acid
cas: 27496-82-8
dtxsid: DTXSID50894693
formula: C15H12O6
inchikey: SWHSXWLSBBYLGM-UHFFFAOYSA-N
norman_susdat_id: NS00051150
pubchem_cid: 11996451
smiles: O=C(O)C=1C=CC=CC1OCOC=2C=CC=CC2C(=O)O
inchi:
InChI=1/C15H12O6/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)


name: M14
cas: 2750-76-7
chemspiderid: NA
formula: C26H36N2O7S1
inchikey: SUXQVHJAJFCBJR-UHFFFAOYSA-N
norman_susdat_id: NS00004967
pubchem_cid: NA
smiles: COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OS(O)(=O)=O)c(OC)c2)cc1OC
inchi:
InChI=1S/C26H36N2O7S/c1-19(2)26(18-27,21-9-11-23(25(17-21)34-6)35-36(29,30)31)13-7-14-28(3)15-12-20-8-10-22(32-4)24(16-20)33-5/h8-11,16-17,19H,7,12-15H2,1-6H3,(H,29,30,31)


name: Ammonium 1,4-dinonyl sulphonatosuccinate
cas: 27501-55-9
formula: C22H42O7S.H3N
inchikey: PIKODYZXFHKWFW-UHFFFAOYSA-N
norman_susdat_id: NS00083875
smiles: [NH4+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O7S.H3N/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2;/h20H,3-19H2,1-2H3,(H,25,26,27);1H3


name: Physalin C
cas: 27503-33-9
chemspiderid: 101650329
formula: C28H30O9
inchikey: OZDVKLAQLVYYJW-VJCZVSKQSA-N
norman_susdat_id: NS00093770
smiles:
C[C@]12C[C@H]([C@]3([C@]45[C@@H]1C(=O)[C@@](O4)([C@@H]6CC=C7CC=CC(=O)[C@@]7([C@H]6CC[C@@]5(C(=O)O3)O)C)O)C)OC(=O)C2=C


name: Ensulizole
cas: 27503-81-7
chebiid: CHEBI:135132
chemspiderid: 31267
dtxsid: DTXSID3038852
formula: C13H10N2O3S1
inchikey: UVCJGUGAGLDPAA-UHFFFAOYSA-N
norman_susdat_id: NS00010386
pubchem_cid: 33919
smiles: C1=CC=C(C=C1)C2=NC3=C(N2)C=CC(=C3)S(=O)(=O)O
inchi:
InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)


name: Troleandomycin
cas: 2751-09-9
chebiid: CHEBI:45735
chemspiderid: 16707
dtxsid: DTXSID2023721
formula: C41H67N1O15
inchikey: LQCLVBQBTUVCEQ-QTFUVMRISA-N
norman_susdat_id: NS00001230
pubchem_cid: 202225
inchi:
InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1

smiles:
CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O


name: Tetraphenylphosphonium bromide
cas: 2751-90-8
formula: C24H20P.Br
inchikey: BRKFQVAOMSWFDU-UHFFFAOYSA-M
norman_susdat_id: NS00083795
smiles: [Br-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1


name: (Z)-9-Tricosene
cas: 27519-02-4
chemspiderid: 4517167
dtxsid: DTXSID0032653
formula: C23H46
inchikey: IGOWHGRNPLFNDJ-ZPHPHTNESA-N
norman_susdat_id: NS00001975
pubchem_cid: 5365075
smiles: CCCCCCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17-


name: Tris[[1,1'-biphenyl]-2-oxy]phosphine
cas: 2752-19-4
dtxsid: DTXSID20950199
formula: C36H27O3P
inchikey: DAZUWKNHFLGZSN-UHFFFAOYSA-N
norman_susdat_id: NS00048402
pubchem_cid: 75983
smiles: O(C=1C=CC=CC1C=2C=CC=CC2)P(OC=3C=CC=CC3C=4C=CC=CC4)OC=5C=CC=CC5C=6C=CC=CC6
inchi:
InChI=1/C36H27O3P/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)37-40(38-35-26-14-11-23-32(35)29-18-6-2-7-19-29)39-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h1-27H


cas: 2752-64-9
dtxsid: DTXSID90950202
formula: C33H45NO11
inchikey: FGEQLIZIOKTHQM-UHFFFAOYSA-N
norman_susdat_id: NS00048403
pubchem_cid: 57003134
smiles: O=C(OC1C2C3CC1(O)C(O)C(OC)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6O)C=7C=CC=CC7
name:
Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1a,3a,6a,14a,15a,16ß)-

inchi:
InChI=1/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,26(37)28(33)43-6)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3


name: Gambogic acid
cas: 2752-65-0
chebiid: CHEBI:67521
chemspiderid: 16735821
formula: C38H44O8
inchikey: GEZHEQNLKAOMCA-RRZNCOCZSA-N
norman_susdat_id: NS00018046
pubchem_cid: 9852185
smiles: CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2O)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C
inchi:
InChI=1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,19H2,1-8H3,(H,42,43)/b22-13-/t23-,27+,36-,37+,38-/m1/s1


name: TRIERUCIN
cas: 2752-99-0
chemspiderid: 4575813
formula: C69H128O6
inchikey: XDSPGKDYYRNYJI-IUPFWZBJSA-N
norman_susdat_id: NS00014170
pubchem_cid: 5463075
smiles: CCCCCCCCC=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC=C/CCCCCCCC)OC(=O)CCCCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26-,30-27-


name: Isoconazole
cas: 27523-40-6
chebiid: CHEBI:83667
chemspiderid: 3629
dtxsid: DTXSID7045447
formula: C18H14Cl4N2O1
inchikey: MPIPASJGOJYODL-UHFFFAOYSA-N
norman_susdat_id: NS00006034
pubchem_cid: 3760
smiles: Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
inchi:
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2


name: Gedunin
cas: 2753-30-2
chemspiderid: 3340
dtxsid: DTXSID3041033
formula: C28H34O7
inchikey: YJXDGWUNRYLINJ-POZBICLPSA-N
norman_susdat_id: NS00015864
pubchem_cid: 5701985
smiles: CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C
inchi:
InChI=1S/C28H34O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17?,18?,20-,21+,22-,25-,26+,27+,28-/m1/s1


name: 5-Ethyldihydro-5-phenyl-2-thioxopyrimidine-4,6(1H,5H)-dione
cas: 2753-74-4
chemspiderid: 2298026
dtxsid: DTXSID80181947
formula: C12H12N2O2S1
inchikey: GHHFRPRCYQNNDL-UHFFFAOYSA-N
norman_susdat_id: NS00028318
pubchem_cid: 3033297
smiles: CCC1(C(=O)NC(=S)NC1=O)c1ccccc1
inchi:
InChI=1S/C12H12N2O2S/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)


name: [1S-(1a,3aß,4a,8aß)]-2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)ethyl acetate
cas: 27530-63-8
dtxsid: DTXSID20885391
formula: C18H28O2
inchikey: GKYMEBBVOZBYSE-UHFFFAOYSA-N
norman_susdat_id: NS00051166
pubchem_cid: 119610
smiles: O=C(OCC=C1C2CCC3C2C(C)(C)CCCC13C)C
inchi:
InChI=1/C18H28O2/c1-12(19)20-11-8-14-13-6-7-15-16(13)17(2,3)9-5-10-18(14,15)4/h8,13,15-16H,5-7,9-11H2,1-4H3


name: Equilin sulfate
cas: 27540-07-4
chemspiderid: 26039
dtxsid: DTXSID30872974
formula: C18H20O5S1
inchikey: YJBYRYVLFAUXBJ-UHFFFAOYSA-N
norman_susdat_id: NS00002422
pubchem_cid: 27993
smiles: CC12CCC3C(=CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2=O
inchi:
InChI=1S/C18H20O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22)


