# cl_id

cas: 36196-44-8
chemspiderid: 106269
dtxsid: DTXSID2067959
formula: C18H27N3O9S3
inchikey: CFKONAWMNQERAG-UHFFFAOYSA-N
norman_susdat_id: NS00029994
pubchem_cid: 118925
smiles: SCCC(=O)OCCn1c(=O)n(CCOC(=O)CCS)c(=O)n(CCOC(=O)CCS)c1=O
name:
Propanoic acid, 3-mercapto-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester

inchi:
InChI=1S/C18H27N3O9S3/c22-13(1-10-31)28-7-4-19-16(25)20(5-8-29-14(23)2-11-32)18(27)21(17(19)26)6-9-30-15(24)3-12-33/h31-33H,1-12H2


name: 3-(10H-Phenothiazin-10-yl)propanoic acid
cas: 362-03-8
chemspiderid: 312820
dtxsid: DTXSID00326237
formula: C15H13N1O2S1
inchikey: VNTAONUWHQBAMC-UHFFFAOYSA-N
norman_susdat_id: NS00007326
pubchem_cid: 352307
smiles: OC(=O)CCN1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C15H13NO2S/c17-15(18)9-10-16-11-5-1-3-7-13(11)19-14-8-4-2-6-12(14)16/h1-8H,9-10H2,(H,17,18)


name: 39082
cas: 362-05-0
chebiid: CHEBI:28744
chemspiderid: 9303
dtxsid: DTXSID3022372
formula: C18H24O3
inchikey: DILDHNKDVHLEQB-XSSYPUMDSA-N
norman_susdat_id: NS00015251
pubchem_cid: 247304
smiles: CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O
inchi:
InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1


name: 2-Hydroxyestrone
cas: 362-06-1
chebiid: CHEBI:1156
chemspiderid: 389514
dtxsid: DTXSID80904315
formula: C18H22O3
inchikey: SWINWPBPEKHUOD-JPVZDGGYSA-N
norman_susdat_id: NS00006388
pubchem_cid: 440623
smiles: C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2=O)O)O
inchi:
InChI=1S/C18H22O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,19-20H,2-7H2,1H3/t11-,12+,14-,18-/m0/s1


name: 2-Methoxyestradiol
cas: 362-07-2
chebiid: CHEBI:110165
chemspiderid: 59788
dtxsid: DTXSID3040938
formula: C19H26O3
inchikey: CQOQDQWUFQDJMK-UHFFFAOYSA-N
norman_susdat_id: NS00014681
pubchem_cid: 1573
smiles: Oc1cc4c(cc1OC)C3CCC2(C(CCC2O)C3CC4)C
inchi:
InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3


name: 2-Methoxyestrone
cas: 362-08-3
chebiid: CHEBI:1189
chemspiderid: 9305
formula: C19H24O3
inchikey: WHEUWNKSCXYKBU-QPWUGHHJSA-N
norman_susdat_id: NS00014682
pubchem_cid: 440624
smiles: O=C4C3(CCC2c1cc(OC)c(O)cc1CCC2C3CC4)C
inchi:
InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1


name: Propiomazine
cas: 362-29-8
chebiid: CHEBI:8491
chemspiderid: 4771
dtxsid: DTXSID1023520
formula: C20H24N2O1S1
inchikey: UVOIBTBFPOZKGP-UHFFFAOYNA-N
norman_susdat_id: NS00021133
pubchem_cid: NA
smiles: CCC(=O)c1cc2c(Sc3c(cccc3)N2CC(C)N(C)C)cc1
inchi:
InChI=1S/C20H24N2OS/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20/h6-12,14H,5,13H2,1-4H3/t14-/m1/s1


name: 2',3'-isopropylideneuridine
cas: 362-43-6
dtxsid: DTXSID30957598
formula: C12H16N2O6
inchikey: PXOVVKXBOIKPJQ-RMEKTUJTSA-N
norman_susdat_id: NS00041699
pubchem_cid: 22884046
smiles: O=C1C=CN(C(=O)N1)C2OC(CO)C3(O)C2(O)C3(C)C
inchi:
InChI=1/C12H16N2O6/c1-10(2)11(18)6(5-15)20-8(12(10,11)19)14-4-3-7(16)13-9(14)17/h3-4,6,8,15,18-19H,5H2,1-2H3,(H,13,16,17)


name: S-stearoylcoenzyme A
cas: 362-66-3
formula: C33H58N6O12P2S
inchikey: FBSWPSVCYDEDDR-UHFFFAOYSA-N
norman_susdat_id: NS00041447
pubchem_cid: NA
smiles: O=C(SCCNC(=O)CCOP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H58N6O12P2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(41)54-21-19-35-26(40)18-20-48-53(46,47)49-22-25-30(51-52(43,44)45)29(42)33(50-25)39-24-38-28-31(34)36-23-37-32(28)39/h23-25,29-30,33,42H,2-22H2,1H3,(H,35,40)(H,46,47)(H2,34,36,37)(H2,43,44,45)


name: Bucladesine
cas: 362-74-3
chebiid: CHEBI:50095
chemspiderid: 9306
dtxsid: DTXSID1040459
formula: C18H24N5O8P1
inchikey: CJGYSWNGNKCJSB-YVLZZHOMSA-N
norman_susdat_id: NS00022100
pubchem_cid: 9687
smiles: CCCC(=O)Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1OC(=O)CCC
inchi:
InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15+,18+/m0/s1


name: 2',3'-isopropylideneadenosine
cas: 362-75-4
dtxsid: DTXSID90957599
formula: C13H17N5O4
inchikey: FRWOPYAMODVVFW-GDQJLZBOSA-N
norman_susdat_id: NS00041448
pubchem_cid: 21307586
smiles: OCC1OC(N2C=NC=3C(=NC=NC32)N)C4(O)C1(O)C4(C)C
inchi:
InChI=1/C13H17N5O4/c1-11(2)12(20)6(3-19)22-10(13(11,12)21)18-5-17-7-8(14)15-4-16-9(7)18/h4-6,10,19-21H,3H2,1-2H3,(H2,14,15,16)


name: 2',3'-isopropylideneguanosine
cas: 362-76-5
dtxsid: DTXSID40957600
formula: C13H17N5O5
inchikey: VABFJACOLLDIOS-AMHAGXNJSA-N
norman_susdat_id: NS00042162
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1N=CN2C3OC(CO)C4(O)C3(O)C4(C)C)N
inchi:
InChI=1/C13H17N5O5/c1-11(2)12(21)5(3-19)23-9(13(11,12)22)18-4-15-6-7(18)16-10(14)17-8(6)20/h4-5,9,19,21-22H,3H2,1-2H3,(H3,14,16,17,20)


name: NVP-231
cas: 362003-83-6
chemspiderid: 3310386
dtxsid: DTXSID40399268
formula: C25H25N3O2S1
inchikey: MVSSJPGNLQPWSW-FGUCWDTJSA-N
norman_susdat_id: NS00016775
pubchem_cid: NA
smiles: O=C(C1(C[C@@H](C2)C3)C[C@H]3CC2C1)NC4=CC(SC(NC(C5=CC=CC=C5)=O)=N6)=C6C=C4
inchi:
InChI=1S/C25H25N3O2S/c29-22(18-4-2-1-3-5-18)28-24-27-20-7-6-19(11-21(20)31-24)26-23(30)25-12-15-8-16(13-25)10-17(9-15)14-25/h1-7,11,15-17H,8-10,12-14H2,(H,26,30)(H,27,28,29)/t15-,16-,17?,25?/m1/s1


name: Columbamine
cas: 3621-36-1
chebiid: CHEBI:15920
chemspiderid: 65261
dtxsid: DTXSID80189766
formula: C20H20NO4
inchikey: YYFOFDHQVIODOQ-UHFFFAOYSA-O
norman_susdat_id: NS00094800
pubchem_cid: 72310
smiles: COC1=C(O)C=C2C(CC[N+]3=C2C=C2C=CC(OC)=C(OC)C2=C3)=C1
inchi:
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1


name: Jatrorrhizine
cas: 3621-38-3
chebiid: CHEBI:6087
chemspiderid: 65269
dtxsid: DTXSID40189767
formula: C20H20N1O4
inchikey: MXTLAHSTUOXGQF-UHFFFAOYSA-O
norman_susdat_id: NS00029996
pubchem_cid: NA
smiles: COc1c(O)cc2CC[n+]3cc4c(ccc(OC)c4OC)cc3c2c1
inchi:
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1


name: 2,4,6-tris(1-methyloctyl)phenol
cas: 36215-85-7
dtxsid: DTXSID20865810
formula: C33H60O
inchikey: UQGUWEYJHWNXTQ-UHFFFAOYSA-N
norman_susdat_id: NS00057181
pubchem_cid: 118288
smiles: OC=1C(=CC(=CC1C(C)CCCCCCC)C(C)CCCCCCC)C(C)CCCCCCC
inchi:
InChI=1/C33H60O/c1-7-10-13-16-19-22-27(4)30-25-31(28(5)23-20-17-14-11-8-2)33(34)32(26-30)29(6)24-21-18-15-12-9-3/h25-29,34H,7-24H2,1-6H3


name: Iron(2+) palmitate
cas: 36215-91-5
formula: C16H32O2.1/2Fe
inchikey: YNQVTHFOJBTQHC-UHFFFAOYSA-L
norman_susdat_id: NS00088944
smiles: [Fe+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Fe/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: Bis(oxiranylmethyl) methylcyclohex-4-ene-1,2-dicarboxylate
cas: 36221-25-7
dtxsid: DTXSID90957615
formula: C15H20O6
inchikey: DYNNWXBMMDAYBS-UHFFFAOYSA-N
norman_susdat_id: NS00057252
pubchem_cid: 181270
smiles: O=C(OCC1OC1)C2CC=CCC2(C(=O)OCC3OC3)C
inchi:
InChI=1/C15H20O6/c1-15(14(17)21-9-11-7-19-11)5-3-2-4-12(15)13(16)20-8-10-6-18-10/h2-3,10-12H,4-9H2,1H3


name: 1-[(4-chlorophenyl)benzyl]-4-[(m-tolyl)methyl]piperazine hydrochloride
cas: 36236-67-6
dtxsid: DTXSID80957624
formula: C25H27ClN2
inchikey: QRKSYQCDLUOQAN-UHFFFAOYSA-N
norman_susdat_id: NS00057626
pubchem_cid: 18423361
smiles: Cl.ClC1=CC=C(C=C1)C=2C=CC=CC2CN3CCN(CC=4C=CC=C(C4)C)CC3
inchi:
InChI=1/C25H27ClN2.ClH/c1-20-5-4-6-21(17-20)18-27-13-15-28(16-14-27)19-23-7-2-3-8-25(23)22-9-11-24(26)12-10-22;/h2-12,17H,13-16,18-19H2,1H3;1H


name: Sodium 6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2-sulphonate
cas: 3624-64-4
formula: C16H12N3O7S
inchikey: NXLJCMZUMDRSMJ-UHFFFAOYSA-M
norman_susdat_id: NS00048312
pubchem_cid: 135570985
smiles: [Na+].O=[N+]([O-])C1=CC=C(O)C(N=NC2=C(O)C=CC3=CC(=CC=C32)S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H11N3O7S.Na/c20-14-6-2-10(19(22)23)8-13(14)17-18-16-12-4-3-11(27(24,25)26)7-9(12)1-5-15(16)21;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1


name: Sodium 6-(5-chloro-2-hydroxy-4-sulphophenylazo)-5-hydroxynaphthalene-1-sulphonate
cas: 3624-68-8
dtxsid: DTXSID5063104
formula: C16H11ClN2O8S2
inchikey: LCBZUUSPZFKEGO-UHFFFAOYSA-M
norman_susdat_id: NS00047550
pubchem_cid: 2724043
smiles: [Na+].O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC3=CC(Cl)=C(C=C3O)S(=O)(=O)O)=CC=C21
inchi:
InChI=1/C16H11ClN2O8S2.Na/c17-10-6-12(13(20)7-15(10)29(25,26)27)19-18-11-5-4-8-9(16(11)21)2-1-3-14(8)28(22,23)24;/h1-7,20-21H,(H,22,23,24)(H,25,26,27);/q;+1/p-1


name: Mebeverine
cas: 3625-06-7
chebiid: CHEBI:91514
chemspiderid: 3891
dtxsid: DTXSID6023238
formula: C25H35N1O5
inchikey: VYVKHNNGDFVQGA-UHFFFAOYSA-N
norman_susdat_id: NS00002334
pubchem_cid: 4031
smiles: CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1
inchi:
InChI=1S/C25H35NO5/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5/h9-14,18-19H,6-8,15-17H2,1-5H3


name: Mebolazine
cas: 3625-07-8
chemspiderid: 16736946
formula: C42H68N2O2
inchikey: POPWFGNRCCUJGU-QQZDHCPGSA-N
norman_susdat_id: NS00018444
pubchem_cid: 20055475
smiles: CC1CC2(C(CCC3C2CCC4(C3CCC4(C)O)C)CC1=NN=C5CC6CCC7C8CCC(C8(CCC7C6(CC5C)C)C)(C)O)C
inchi:
InChI=1S/C42H68N2O2/c1-25-23-37(3)27(9-11-29-31(37)13-17-39(5)33(29)15-19-41(39,7)45)21-35(25)43-44-36-22-28-10-12-30-32(38(28,4)24-26(36)2)14-18-40(6)34(30)16-20-42(40,8)46/h25-34,45-46H,9-24H2,1-8H3/b43-35-,44-36-/t25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,37+,38+,39+,40+,41+,42+/m1/s1


name: Reposal
cas: 3625-25-0
chebiid: CHEBI:135079
chemspiderid: 18167
formula: C14H18N2O3
inchikey: MKELYWOVSPVORM-UHFFFAOYSA-N
norman_susdat_id: NS00068029
pubchem_cid: 19254
smiles: CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2
inchi:
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)


name: Bis[5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium] sulphate
cas: 3625-57-8
formula: C20H20N3O.1/2O4S
inchikey: XZPFCLQILQGYED-UHFFFAOYSA-L
norman_susdat_id: NS00083376
inchi:
InChI=1/2C20H20N3O.H2O4S/c2*1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;1-5(2,3)4/h2*5-12H,3-4,21H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CCN(CC)c1ccc2nc3c(cc(N)c4ccccc34)[o+]c2c1.CCN(CC)c5ccc6nc7c(cc(N)c8ccccc78)[o+]c6c5.[O-]S(=O)(=O)[O-]


name: (1,4-benzodioxan-2-ylmethyl)guanidinium sulphate
cas: 3625-81-8
formula: C10H13N3O2.xH2O4S
inchikey: NSGHAKPGHCNTPS-UHFFFAOYSA-N
norman_susdat_id: NS00082740
smiles: NC(=N)[NH2+]CC1COc2ccccc2O1.NC(=N)[NH2+]CC3COc4ccccc4O3.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C10H13N3O2.H2O4S/c2*11-10(12)13-5-7-6-14-8-3-1-2-4-9(8)15-7;1-5(2,3)4/h2*1-4,7H,5-6H2,(H4,11,12,13);(H2,1,2,3,4)


name: Calcium octadecylbenzenesulphonate
cas: 36250-83-6
formula: C24H42O3S.1/2Ca
inchikey: ULVLNTMEOYASBT-UHFFFAOYSA-L
norman_susdat_id: NS00088989
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C24H42O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2


name: Relacatib
cas: 362505-84-8
dtxsid: DTXSID30957639
formula: C27H32N4O6S
inchikey: BWYBBMQLUKXECQ-GIVPXCGWSA-N
norman_susdat_id: NS00069661
pubchem_cid: 6918602
smiles: CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O
inchi:
InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1


name: Ibipinabant
cas: 362519-49-1
dtxsid: DTXSID70963572
formula: C23H20Cl2N4O2S
inchikey: AXJQVVLKUYCICH-OAQYLSRUSA-N
norman_susdat_id: NS00069679
pubchem_cid: 9826744
smiles: CN/C(=N/S(=O)(=O)c1ccc(Cl)cc1)N1C[C@H](c2ccccc2)C(c2ccc(Cl)cc2)=N1
inchi:
InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)/t21-/m1/s1


name: Methylmercury benzoate
cas: 3626-13-9
formula: C8H8HgO2
inchikey: WKDZZKIPDBZSRW-UHFFFAOYSA-M
norman_susdat_id: NS00082741
smiles: C[Hg+].[O-]C(=O)c1ccccc1
inchi:
InChI=1/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1/rC7H6O2.CH3Hg/c8-7(9)6-4-2-1-3-5-6;1-2/h1-5H,(H,8,9);1H3/q;+1/p-1


cas: 3626-28-6
dtxsid: DTXSID3025201
formula: C34H25N7O8S2
inchikey: DDLNJHAAABRHFY-UHFFFAOYSA-L
norman_susdat_id: NS00048325
pubchem_cid: 135506440
name:
Disodium 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H25N7O8S2.2Na/c35-31-30-22(19-29(51(47,48)49)33(34(30)43)41-38-23-4-2-1-3-5-23)18-28(50(44,45)46)32(31)40-39-25-12-8-21(9-13-25)20-6-10-24(11-7-20)36-37-26-14-16-27(42)17-15-26;;/h1-19,42-43H,35H2,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3)C=4C=CC(N=NC5=CC=C(O)C=C5)=CC4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 3626-30-0
dtxsid: DTXSID40889472
formula: C36H25N7O10S3
inchikey: IQFQVVOOEPYCAH-UHFFFAOYSA-K
norman_susdat_id: NS00047568
pubchem_cid: NA
name:
Trisodium 8-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H25N7O10S3.3Na/c37-21-2-4-22(5-3-21)38-39-33-14-12-31(27-10-7-24(18-29(27)33)55(48,49)50)40-41-34-15-13-32(28-11-8-25(19-30(28)34)56(51,52)53)42-43-36-26-9-6-23(54(45,46)47)17-20(26)1-16-35(36)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(N=NC4=CC=C(N=NC5=CC=C(N)C=C5)C=6C=C(C=CC46)S(=O)(=O)[O-])C=7C=C(C=CC37)S(=O)(=O)[O-])=C1


name: Sodium p-[(4-amino-5-methoxy-o-tolyl)azo]benzenesulphonate
cas: 3626-35-5
dtxsid: DTXSID60884000
formula: C14H15N3O4S
inchikey: JDMWNDRLWBRPGG-UHFFFAOYSA-M
norman_susdat_id: NS00048344
pubchem_cid: 110172
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(OC)C(N)=CC2C)C=C1
inchi:
InChI=1/C14H15N3O4S.Na/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)22(18,19)20;/h3-8H,15H2,1-2H3,(H,18,19,20);/q;+1/p-1


name: Disodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate]
cas: 3626-36-6
dtxsid: DTXSID30881400
formula: C33H24N6O9S2
inchikey: DSARWKALPGYFTA-UHFFFAOYSA-L
norman_susdat_id: NS00048926
pubchem_cid: 77183
inchi:
InChI=1/C33H24N6O9S2.2Na/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6)C5O)S(=O)(=O)[O-]


cas: 3626-40-2
dtxsid: DTXSID00889473
formula: C36H25N7O10S3
inchikey: NBAONFGKBCDXQW-UHFFFAOYSA-K
norman_susdat_id: NS00048950
pubchem_cid: 72592
name:
Trisodium 3-[[4-[[4-[(4-aminophenyl)azo]-6-sulphonatonaphthyl]azo]-6-sulphonatonaphthyl]azo]-4-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C36H25N7O10S3.3Na/c37-20-5-7-21(8-6-20)38-39-32-15-13-30(24-11-9-22(17-28(24)32)54(45,46)47)40-42-33-16-14-31(25-12-10-23(18-29(25)33)55(48,49)50)41-43-34-19-35(56(51,52)53)26-3-1-2-4-27(26)36(34)44;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4O)S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])=CC=C(N=NC7=CC=C(N)C=C7)C2C1


name: Sodium 4-hydroxy-3-[(2-methoxy-5-nitrophenyl)azo]-6-(phenylamino)naphthalene-2-sulphonate
cas: 3626-41-3
formula: C23H19N4O7S
inchikey: ZXKXYDDIJPFQNV-UHFFFAOYSA-M
norman_susdat_id: NS00048951
pubchem_cid: 135666540
smiles: [Na+].O=[N+]([O-])C1=CC=C(OC)C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC=4C=CC=CC4)=C1
inchi:
InChI=1/C23H18N4O7S.Na/c1-34-20-10-9-17(27(29)30)13-19(20)25-26-22-21(35(31,32)33)11-14-7-8-16(12-18(14)23(22)28)24-15-5-3-2-4-6-15;/h2-13,24,28H,1H3,(H,31,32,33);/q;+1/p-1


name: Didodecyl 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 36265-41-5
dtxsid: DTXSID00189804
formula: C33H59NO4
inchikey: VEUDMQNHACTHAL-UHFFFAOYSA-N
norman_susdat_id: NS00057253
pubchem_cid: 118933
smiles: O=C(OCCCCCCCCCCCC)C1=C(NC(=C(C(=O)OCCCCCCCCCCCC)C1)C)C
inchi:
InChI=1/C33H59NO4/c1-5-7-9-11-13-15-17-19-21-23-25-37-32(35)30-27-31(29(4)34-28(30)3)33(36)38-26-24-22-20-18-16-14-12-10-8-6-2/h34H,5-27H2,1-4H3


name: Butanenitrile, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
cas: 36268-65-2
chemspiderid: 106279
dtxsid: DTXSID1067962
formula: C20H31N1O1
inchikey: JEWCXPGDBLFXNE-UHFFFAOYSA-N
norman_susdat_id: NS00030007
pubchem_cid: 118935
smiles: CCC(C)(C)c1cc(c(OCCCC#N)cc1)C(C)(C)CC
inchi:
InChI=1S/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3


name: 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 3627-01-8
formula: C16H12N2O9S2
inchikey: BTEWRTUJKSQHIE-UHFFFAOYSA-N
norman_susdat_id: NS00047569
pubchem_cid: 77185
smiles: O=S(=O)(O)C=1C=C(O)C2=C(N=NC3=CC=C(O)C=C3O)C=C(C=C2C1)S(=O)(=O)O
inchi:
InChI=1/C16H12N2O9S2/c19-9-1-2-12(14(20)5-9)17-18-13-6-10(28(22,23)24)3-8-4-11(29(25,26)27)7-15(21)16(8)13/h1-7,19-21H,(H,22,23,24)(H,25,26,27)


name: N,N'-bis(9,10-dihydro-9,10-dioxo-1-anthryl)isophthaldiamide
cas: 3627-47-2
dtxsid: DTXSID50957656
formula: C36H20N2O6
inchikey: KNRXJDRHZHRIBB-UHFFFAOYSA-N
norman_susdat_id: NS00047570
pubchem_cid: NA
smiles: O=C(NC1=CC=CC=2C(=O)C=3C=CC=CC3C(=O)C12)C4=CC=CC(=C4)C(=O)NC5=CC=CC=6C(=O)C=7C=CC=CC7C(=O)C56
inchi:
InChI=1/C36H20N2O6/c39-31-21-10-1-3-12-23(21)33(41)29-25(31)14-6-16-27(29)37-35(43)19-8-5-9-20(18-19)36(44)38-28-17-7-15-26-30(28)34(42)24-13-4-2-11-22(24)32(26)40/h1-18H,(H,37,43)(H,38,44)


name: Phenoperidine hydrochloride
cas: 3627-49-4
formula: C23H29NO3.ClH
inchikey: HGEAGOBQOIMDQV-UHFFFAOYSA-N
norman_susdat_id: NS00082742
smiles: Cl.CCOC(=O)C1(CCN(CCC(O)c2ccccc2)CC1)c3ccccc3
inchi:
InChI=1/C23H29NO3.ClH/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19;/h3-12,21,25H,2,13-18H2,1H3;1H


name: 9,10-Ethanoanthracene-9(10H)-carbaldehyde
cas: 36280-77-0
chemspiderid: 15902194
dtxsid: DTXSID80189822
formula: C17H14O1
inchikey: BPZMYSHIRKBEKU-UHFFFAOYSA-N
norman_susdat_id: NS00030011
pubchem_cid: 3015836
smiles: O=CC12CCC(c3ccccc13)c1ccccc21
inchi:
InChI=1S/C17H14O/c18-11-17-10-9-12(13-5-1-3-7-15(13)17)14-6-2-4-8-16(14)17/h1-8,11-12H,9-10H2/t12-,17-


name: Hederacolchiside C
cas: 36284-77-2
chemspiderid: 10252130
dtxsid: DTXSID00189824
formula: C59H96O25
inchikey: BDYNJUHCBBNLKK-KXHZANHWSA-N
norman_susdat_id: NS00094597
pubchem_cid: 21626480
inchi:
InChI=1S/C59H96O25/c1-24-34(63)39(68)42(71)48(76-24)81-45-38(67)30(22-61)79-52(47(45)83-50-44(73)41(70)37(66)29(21-60)78-50)84-53(74)59-18-16-54(3,4)20-27(59)26-10-11-32-56(7)14-13-33(55(5,6)31(56)12-15-58(32,9)57(26,8)17-19-59)80-51-46(36(65)28(62)23-75-51)82-49-43(72)40(69)35(64)25(2)77-49/h10,24-25,27-52,60-73H,11-23H2,1-9H3/t24-,25-,27+,28-,29+,30+,31?,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42+,43+,44+,45-,46+,47+,48-,49-,50+,51-,52+,56-,57+,58+,59-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@H](O)[C@H](O)[C@H]1O


name: Ethyl 3,5-di-tert-butyl-4-hydroxyhydrocinnamate
cas: 36294-24-3
chemspiderid: 58401
dtxsid: DTXSID1067966
formula: C19H30O3
inchikey: ZCWSUZJGZZFSHM-UHFFFAOYSA-N
norman_susdat_id: NS00030012
pubchem_cid: 64871
smiles: CCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C19H30O3/c1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7/h11-12,21H,8-10H2,1-7H3


name: Dinoprostone
cas: 363-24-6
chemspiderid: 4510140
dtxsid: DTXSID4022947
formula: C20H32O5
inchikey: XEYBRNLFEZDVAW-RTYMFESYSA-N
norman_susdat_id: NS00009026
pubchem_cid: 5353587
smiles: CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(O)=O
inchi:
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+


name: (9a,13a,14a)-3,17-dimethylmorphinan dihydrogen phosphate
cas: 36304-84-4
dtxsid: DTXSID4048723
formula: C18H25N
inchikey: ODJHDWLIOUGPPA-URVXVIKDSA-N
norman_susdat_id: NS00058188
pubchem_cid: 198165
smiles: O=P(O)(O)O.C=1C=C2C(=CC1C)C34CCN(C)C(C2)C4CCCC3
inchi:
InChI=1/C18H25N.H3O4P/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2;1-5(2,3)4/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3;(H3,1,2,3,4)


name: 4-anilino-2-methoxybenzenediazonium hydrogen sulphate
cas: 36305-05-2
formula: C13H12N3O.HO4S
inchikey: HBDLDBQEQKQUPI-UHFFFAOYSA-L
norman_susdat_id: NS00089040
smiles: COc1cc(Nc2ccccc2)ccc1[N+]#N.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C13H12N3O.H2O4S/c1-17-13-9-11(7-8-12(13)16-14)15-10-5-3-2-4-6-10;1-5(2,3)4/h2-9,15H,1H3;(H2,1,2,3,4)/q+1;/p-2


name: Dimemorfan
cas: 36309-01-0
chebiid: CHEBI:135048
formula: C18H25N
inchikey: KBEZZLAAKIIPFK-NJAFHUGGSA-N
norman_susdat_id: NS00089284
smiles: CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4ccc(C)cc34
inchi:
InChI=1/C18H25N/c1-13-6-7-14-12-17-15-5-3-4-8-18(15,16(14)11-13)9-10-19(17)2/h6-7,11,15,17H,3-5,8-10,12H2,1-2H3


cas: 36310-91-5
formula: C18H34O7S
norman_susdat_id: NS00101589
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxosulfopropyl)-.omega.-(tetradecyloxy)-, disodium salt


name: Na-(L-a-glutamyl)-L-ß-asparagine
cas: 36314-37-1
dtxsid: DTXSID50957676
formula: C9H15N3O6
inchikey: TUTIHHSZKFBMHM-UHFFFAOYSA-N
norman_susdat_id: NS00058258
pubchem_cid: 118293
smiles: O=C(O)CCC(N)C(=O)NC(C(=O)O)CC(=O)N
inchi:
InChI=1/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)


name: Piroxicam
cas: 36322-90-4
chebiid: CHEBI:8249
chemspiderid: 10442653
dtxsid: DTXSID5021170
formula: C15H13N3O4S1
inchikey: QYSPLQLAKJAUJT-UHFFFAOYSA-N
norman_susdat_id: NS00015466
pubchem_cid: 54676228
smiles: CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3
inchi:
InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)


name: N-(2-(2-Hydroxyphenyl)-2H-benzotriazol-5-yl)methacrylamide
cas: 36325-69-6
chemspiderid: 90589
dtxsid: DTXSID20189866
formula: C16H14N4O2
inchikey: NMOXHAYRTDPINE-UHFFFAOYSA-N
norman_susdat_id: NS00030016
pubchem_cid: 100239
smiles: CC(=C)C(=O)Nc1cc2nn(nc2cc1)c1ccccc1O
inchi:
InChI=1S/C16H14N4O2/c1-10(2)16(22)17-11-7-8-12-13(9-11)19-20(18-12)14-5-3-4-6-15(14)21/h3-9,21H,1H2,2H3,(H,17,22)


name: 3'-Dephosphocoenzyme A
cas: 3633-59-8
chebiid: CHEBI:15468
chemspiderid: 622
formula: C21H35N7O13P2S1
inchikey: KDTSHFARGAKYJN-IBOSZNHHSA-N
norman_susdat_id: NS00015252
pubchem_cid: 444485
smiles: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O
inchi:
InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1


name: Tetrakis(bicyclo[2.2.1]hept-1-yl)manganese
cas: 36333-79-6
formula: C28H44Mn
inchikey: MCBDORAJAVQIKS-UHFFFAOYSA-N
norman_susdat_id: NS00089285
smiles: C1CC2(CCC1C2)[Mn](C34CCC(CC3)C4)(C56CCC(CC5)C6)C78CCC(CC7)C8
inchi:
InChI=1/4C7H11.Mn/c4*1-2-7-4-3-6(1)5-7;/h4*6H,1-5H2;/rC28H44Mn/c1-9-25(10-2-21(1)17-25)29(26-11-3-22(18-26)4-12-26,27-13-5-23(19-27)6-14-27)28-15-7-24(20-28)8-16-28/h21-24H,1-20H2


name: Butamiphos
cas: 36335-67-8
chebiid: CHEBI:3232
chemspiderid: 34329
dtxsid: DTXSID5058068
formula: C13H21N2O4P1S1
inchikey: OEYOMNZEMCPTKN-UHFFFAOYSA-N
norman_susdat_id: NS00002756
pubchem_cid: 37419
smiles: CCOP(=S)(NC(C)CC)Oc1cc(C)ccc1[N+]([O-])=O
inchi:
InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)


cas: 36338-96-2
dtxsid: DTXSID50897503
formula: C43H42O22
inchikey: WLYGSPLCNKYESI-AEWOKOSBSA-N
norman_susdat_id: NS00066755
pubchem_cid: NA
name:
4-Cyclohexene-1,3-dione, 6-ß-d-glucopyranosyl-2-[[3-ß-d-glucopyranosyl-2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-oxo-1,4-cyclohexadien-1-yl]methylene]-5,6-dihydroxy-4-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-

inchi:
InChI=1/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2

smiles:
O=C(C=CC1=CC=C(O)C=C1)C=2C(=O)C(=CC=3C(=O)C(C(=O)C=CC4=CC=C(O)C=C4)=C(O)C(O)(C3O)C5OC(CO)C(O)C(O)C5O)C(=O)C(O)(C2O)C6OC(CO)C(O)C(O)C6O


name: .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, 2-methoxyethyl ester
cas: 36339-04-5
chemspiderid: 106295
dtxsid: DTXSID6067969
formula: C15H22N2O5
inchikey: JCXUJLWOJLTKRV-UHFFFAOYSA-N
norman_susdat_id: NS00030018
pubchem_cid: 118951
smiles: COCCOC(=O)CCNc1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C15H22N2O5/c1-11(18)17-12-4-5-14(21-3)13(10-12)16-7-6-15(19)22-9-8-20-2/h4-5,10,16H,6-9H2,1-3H3,(H,17,18)


cas: 3634-08-0
dtxsid: DTXSID30189872
formula: C52H26ClF3N8O6
inchikey: LVEMSNXYZZDGII-UHFFFAOYSA-N
norman_susdat_id: NS00047571
pubchem_cid: NA
name:
6,6'-[[6-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bisnaphth[2,3-c]acridine-5,8,14(13H)-trione

inchi:
InChI=1/C52H26ClF3N8O6/c53-31-18-17-22(52(54,55)56)19-34(31)59-49-62-50(60-35-20-29-41(57-32-15-7-5-13-27(32)43(29)65)39-37(35)45(67)23-9-1-3-11-25(23)47(39)69)64-51(63-49)61-36-21-30-42(58-33-16-8-6-14-28(33)44(30)66)40-38(36)46(68)24-10-2-4-12-26(24)48(40)70/h1-21H,(H,57,65)(H,58,66)(H3,59,60,61,62,63,64)

smiles:
O=C1C=2C=CC=CC2NC=3C1=CC(NC4=NC(=NC(=N4)NC=5C=C6C(=O)C=7C=CC=CC7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)NC%10=CC(=CC=C%10Cl)C(F)(F)F)=C%11C(=O)C=%12C=CC=CC%12C(=O)C3%11


name: 6,6'-methylenebis(4-tert-butyl-o-cresol)
cas: 3634-86-4
dtxsid: DTXSID20957683
formula: C23H32O2
inchikey: MUOCKFNUAUVTHQ-UHFFFAOYSA-N
norman_susdat_id: NS00048952
pubchem_cid: 77189
smiles: OC=1C(=CC(=CC1CC=2C=C(C=C(C2O)C)C(C)(C)C)C(C)(C)C)C
inchi:
InChI=1/C23H32O2/c1-14-9-18(22(3,4)5)12-16(20(14)24)11-17-13-19(23(6,7)8)10-15(2)21(17)25/h9-10,12-13,24-25H,11H2,1-8H3


name: Pentanedioic acid, didecyl ester
cas: 3634-94-4
chemspiderid: 69621
dtxsid: DTXSID5063108
formula: C25H48O4
inchikey: FFPZYKQFAKXVSW-UHFFFAOYSA-N
norman_susdat_id: NS00030023
pubchem_cid: 77191
smiles: CCCCCCCCCCOC(=O)CCCC(=O)OCCCCCCCCCC
inchi:
InChI=1S/C25H48O4/c1-3-5-7-9-11-13-15-17-22-28-24(26)20-19-21-25(27)29-23-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3


name: 4-(acetamido)benzoic acid, compound with 2-(dimethylamino)ethanol (1:1)
cas: 3635-74-3
formula: C9H9NO3.C4H11NO
inchikey: XTWZHJXJIIUEJP-UHFFFAOYSA-N
norman_susdat_id: NS00083085
smiles: CN(C)CCO.CC(=O)Nc1ccc(cc1)C(=O)O
inchi:
InChI=1/C9H9NO3.C4H11NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(2)3-4-6/h2-5H,1H3,(H,10,11)(H,12,13);6H,3-4H2,1-2H3


name: Dioctanoic acid, diester with glycerol
cas: 36354-80-0
chebiid: CHEBI:136814
dtxsid: DTXSID1042233
formula: C19H36O5
inchikey: DMBAVJVECSKEPF-UHFFFAOYSA-N
norman_susdat_id: NS00057814
pubchem_cid: 150911
smiles: O=C(OCC(O)COC(=O)CCCCCCC)CCCCCCC
inchi:
InChI=1/C19H36O5/c1-3-5-7-9-11-13-18(21)23-15-17(20)16-24-19(22)14-12-10-8-6-4-2/h17,20H,3-16H2,1-2H3


cas: 36356-82-8
formula: C11H17NO2
norman_susdat_id: NS00101450
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(3-methylphenyl)imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: N-[N-[[(6-deoxy-a-L-mannopyranosyl)oxy]hydroxyphosphinyl]-L-leucyl]-L-tryptophan
cas: 36357-77-4
chebiid: CHEBI:45353
formula: C23H34N3O10P
inchikey: ZPHBZEQOLSRPAK-XLCYBJAPSA-N
norman_susdat_id: NS00058196
pubchem_cid: 445114
smiles: O=C(O)C(NC(=O)C(NP(=O)(O)OC1OC(C)C(O)C(O)C1O)CC(C)C)CC2=CNC=3C=CC=CC32
inchi:
InChI=1/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)


name: Hydroxybis(octadec-9-enoato-O)aluminium, stereoisomer
cas: 36362-00-2
formula: C36H67AlO5
inchikey: ZNWYZTDBBODFKE-UHFFFAOYSA-K
norman_susdat_id: NS00089727
smiles: CCCCCCCCC=CCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C18H34O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);;1H2/q;;+3;/p-3/rC36H67AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(38)41-37(40)42-36(39)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-34H2,1-2H3


cas: 36379-03-0
formula: C22H29ClN6O9
inchikey: JPBIQFJXZOMMDH-UHFFFAOYSA-N
norman_susdat_id: NS00057815
pubchem_cid: 118963
smiles: O=C(NC=1C=C(NCCOCCOC)C(OCCOC)=CC1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
name:
N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[[2-(2-methoxyethoxy)ethyl]amino]phenyl]acetamide

inchi:
InChI=1/C22H27ClN6O9/c1-14(30)25-17-12-19(24-4-5-37-8-6-35-2)21(38-9-7-36-3)13-18(17)26-27-22-16(23)10-15(28(31)32)11-20(22)29(33)34/h10-13,24H,4-9H2,1-3H3,(H,25,30)


name: Bis[[1,4a-dimethyl-7-(1-methylethyl)tetradecahydrophenanthryl]methyl] phthalate
cas: 36388-36-0
dtxsid: DTXSID80865816
formula: C48H74O4
inchikey: VLSXLXWSXZUGFV-UHFFFAOYSA-N
norman_susdat_id: NS00058261
pubchem_cid: 118320
smiles: O=C(OCC1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C)C=4C=CC=CC4C(=O)OCC5(C)CCCC6(C)C7CCC(CC7CCC56)C(C)C
inchi:
InChI=1/C48H74O4/c1-31(2)33-15-19-39-35(27-33)17-21-41-45(5,23-11-25-47(39,41)7)29-51-43(49)37-13-9-10-14-38(37)44(50)52-30-46(6)24-12-26-48(8)40-20-16-34(32(3)4)28-36(40)18-22-42(46)48/h9-10,13-14,31-36,39-42H,11-12,15-30H2,1-8H3


name: Difetarsone
cas: 3639-19-8
chebiid: CHEBI:135969
formula: C14H18As2N2O6
inchikey: YQVALJGIKVYRNI-UHFFFAOYSA-N
norman_susdat_id: NS00083411
smiles: O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1
inchi:
InChI=1/C14H18As2N2O6/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24)


name: (3,3,4,4,5,5,6,6,6-Nonafluorohexyl)propanedioic acid
cas: 36390-03-1
dtxsid: DTXSID00895594
formula: C9H7F9O4
inchikey: KITTVGNDOMMVHM-UHFFFAOYSA-N
norman_susdat_id: NS00108987
smiles: OC(=O)C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C9H7F9O4/c10-6(11,2-1-3(4(19)20)5(21)22)7(12,13)8(14,15)9(16,17)18/h3H,1-2H2,(H,19,20)(H,21,22)


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)propanedioic acid
cas: 36390-05-3
dtxsid: DTXSID70895703
formula: C13H7F17O4
inchikey: GDJGFJSXWIXQLR-UHFFFAOYSA-N
norman_susdat_id: NS00111430
smiles: OC(=O)C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C13H7F17O4/c14-6(15,2-1-3(4(31)32)5(33)34)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3H,1-2H2,(H,31,32)(H,33,34)


name: Europium, tris[6,6,7,7,8,8,8-heptafluoro-2,2-di(methyl-d3)-3,5-octanedion-1,1,1-d3-ato-βO3,βO5]-
cas: 36393-27-8
dtxsid: DTXSID50897301
formula: C30H3D27EuF21O6
inchikey: NWBNFEYYYNUYIQ-JHQPOVGHSA-K
norman_susdat_id: NS00110835
inchi:
InChI=1S/3C10H11F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,19H,1-3H3;/q;;;+3/p-3/b3*6-4-;/i3*1D3,2D3,3D3;

smiles:
[Eu+3].[2H]C([2H])([2H])C(C(=O)C=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])C(C(=O)C=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]C([2H])([2H])C(C(=O)C=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H]


name: Basic Blue 7 parent
cas: 36396-19-7
chemspiderid: 19187884
dtxsid: DTXSID1047996
formula: C33H39N3
inchikey: ALMMLSQBERCMRB-UHFFFAOYSA-O
norman_susdat_id: NS00017216
pubchem_cid: 413728
smiles: CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)N(CC)CC)C4=CC=CC=C14
inchi:
InChI=1S/C33H39N3/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24H,6-10H2,1-5H3/p+1


name: Metoclopramide
cas: 364-62-5
chebiid: CHEBI:107736
chemspiderid: 4024
dtxsid: DTXSID6045169
formula: C14H22Cl1N3O2
inchikey: TTWJBBZEZQICBI-UHFFFAOYSA-N
norman_susdat_id: NS00000392
pubchem_cid: 4168
smiles: c1(cc(C(=O)NCCN(CC)CC)c(cc1N)OC)Cl
inchi:
InChI=1S/C14H22ClN3O2/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)


name: Di-4-coumaroylputrescine
cas: 364048-94-2
chebiid: CHEBI:175016
dtxsid: DTXSID70189932
formula: C22H24N2O4
inchikey: PYVBFDCHJDMSMM-FNCQTZNRSA-N
norman_susdat_id: NS00097262
smiles: C1=CC(=CC=C1/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC=C(C=C2)O)O
inchi:
InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+


name: Benzonitrile, 4-[[(4-butoxyphenyl)methylene]amino]-
cas: 36405-17-1
chemspiderid: 20475846
dtxsid: DTXSID0067975
formula: C18H18N2O1
inchikey: JWLPZJPDDBBWQD-UHFFFAOYSA-N
norman_susdat_id: NS00030034
pubchem_cid: 118967
smiles: CCCCOc1ccc(C=Nc2ccc(cc2)C#N)cc1
inchi:
InChI=1S/C18H18N2O/c1-2-3-12-21-18-10-6-16(7-11-18)14-20-17-8-4-15(13-19)5-9-17/h4-11,14H,2-3,12H2,1H3/b20-14+


name: Disodium [(dodecyloxy)sulphonyl]succinate
cas: 36409-57-1
dtxsid: DTXSID90957756
formula: C16H30O7S
inchikey: RIDICOKGYAHGRG-UHFFFAOYSA-L
norman_susdat_id: NS00058322
pubchem_cid: 118324
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)[O-])S(=O)(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C16H30O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-23-24(21,22)14(16(19)20)13-15(17)18;;/h14H,2-13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: Disodium 5-[(4-ethoxyphenyl)azo]-8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 36409-70-8
dtxsid: DTXSID90889720
formula: C24H20N4O7S2
inchikey: CAAGJCREAQXYJN-UHFFFAOYSA-L
norman_susdat_id: NS00058323
pubchem_cid: 118968
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCC)C=C3)C=4C=CC(=CC24)S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C24H20N4O7S2.2Na/c1-2-35-18-7-3-16(4-8-18)25-27-23-13-14-24(22-15-20(37(32,33)34)11-12-21(22)23)28-26-17-5-9-19(10-6-17)36(29,30)31;;/h3-15H,2H2,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: (5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride
cas: 36418-29-8
formula: C18H23NO3.ClH
inchikey: VMZXMTVGOAQUEN-FFHNEAJVSA-N
norman_susdat_id: NS00089303
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C18H23NO3.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;/h3,6,11-13,17,20H,4-5,7-9H2,1-2H3;1H


cas: 36425-15-7
norman_susdat_id: NS00112819
name:
4,4-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with methacrylic acid


cas: 36425-16-8
norman_susdat_id: NS00113367
name:
4,4-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with maleic anhydride and methacrylic acid


cas: 36431-22-8
chemspiderid: 106313
dtxsid: DTXSID0027989
formula: C33H32N2O3
inchikey: GFGSEGIRJFDXFP-UHFFFAOYNA-N
norman_susdat_id: NS00022102
pubchem_cid: NA
smiles: CCN(CC)c1ccc2c(Oc3cc(C)c(Nc4c(C)cc(C)cc4)cc3C32OC(=O)c2ccccc32)c1
name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-

inchi:
InChI=1S/C33H32N2O3/c1-6-35(7-2)23-13-14-26-31(18-23)37-30-17-22(5)29(34-28-15-12-20(3)16-21(28)4)19-27(30)33(26)25-11-9-8-10-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3/t33-/m1/s1


name: Ditridecyl phosphonate
cas: 36432-46-9
dtxsid: DTXSID40885651
formula: C26H55O3P
inchikey: BDZYUTQMWUWPLZ-UHFFFAOYSA-N
norman_susdat_id: NS00059330
pubchem_cid: 118975
smiles: O=P(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C26H55O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h30H,3-26H2,1-2H3


name: Uk-390957
cas: 364321-71-1
dtxsid: DTXSID10239425
formula: C16H20N2O3S2
inchikey: VCNSPGHSQPMCFF-UHFFFAOYSA-N
norman_susdat_id: NS00068331
pubchem_cid: 9884876
smiles: CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1
inchi:
InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)


name: N-[1-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
cas: 36437-36-2
dtxsid: DTXSID00885652
formula: C31H41NO3
inchikey: YXKKRVMSBXTGPM-UHFFFAOYSA-N
norman_susdat_id: NS00058324
pubchem_cid: 118326
smiles: O=C(NC(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)CCC)C=2C=CC=3C=CC=CC3C2O
inchi:
InChI=1/C31H41NO3/c1-8-13-27(32-29(34)24-18-16-21-14-11-12-15-23(21)28(24)33)35-26-19-17-22(30(4,5)9-2)20-25(26)31(6,7)10-3/h11-12,14-20,27,33H,8-10,13H2,1-7H3,(H,32,34)


name: 2-(2H-Benzotriazol-2-yl)-6-(butan-2-yl)-4-tert-butylphenol
cas: 36437-37-3
chemspiderid: 105755
dtxsid: DTXSID9044661
formula: C20H25N3O1
inchikey: RTNVDKBRTXEWQE-UHFFFAOYSA-N
norman_susdat_id: NS00009103
pubchem_cid: 118327
smiles: CCC(C)c1cc(cc(c1O)-n1nc2ccccc2n1)C(C)(C)C
inchi:
InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3


name: Tributyl(pentachlorophenoxy)stannane
cas: 3644-38-0
dtxsid: DTXSID5073329
formula: C18H27Cl5OSn
inchikey: AGSMIWJKNRFJRL-UHFFFAOYSA-M
norman_susdat_id: NS00048362
pubchem_cid: NA
smiles: ClC=1C(Cl)=C(Cl)C(O[Sn](CCCC)(CCCC)CCCC)=C(Cl)C1Cl
inchi:
InChI=1/C6HCl5O.3C4H9.Sn/c7-1-2(8)4(10)6(12)5(11)3(1)9;3*1-3-4-2;/h12H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H27Cl5OSn/c1-4-7-10-25(11-8-5-2,12-9-6-3)24-18-16(22)14(20)13(19)15(21)17(18)23/h4-12H2,1-3H3


name: 2,4'-dimethyl-3-piperidinopropiophenone hydrochloride
cas: 3644-61-9
chebiid: CHEBI:32244
formula: C16H23NO.ClH
inchikey: ZBUVYROEHQQAKL-UHFFFAOYSA-N
norman_susdat_id: NS00083101
smiles: Cl.CC(CN1CCCCC1)C(=O)c2ccc(C)cc2
inchi:
InChI=1/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H


name: Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
cas: 36443-68-2
chemspiderid: 82726
dtxsid: DTXSID0044236
formula: C34H50O8
inchikey: QSRJVOOOWGXUDY-UHFFFAOYSA-N
norman_susdat_id: NS00007511
pubchem_cid: 91620
smiles: Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(c2)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3


name: Disodium n-decyldiphenyl ether disulfonate
cas: 36445-71-3
chemspiderid: 17215462
dtxsid: DTXSID9027990
formula: C22H30O7S2
inchikey: HXOSOIUOLGXZFL-UHFFFAOYSA-L
norman_susdat_id: NS00019466
pubchem_cid: 22833332
smiles: [Na+].[Na+].CCCCCCCCCCc1cccc(Oc2c(cccc2)S(=O)(=O)[O-])c1S(=O)(=O)[O-]
inchi:
InChI=1S/C22H30O7S2/c1-2-3-4-5-6-7-8-9-13-18-14-12-16-20(22(18)31(26,27)28)29-19-15-10-11-17-21(19)30(23,24)25/h10-12,14-17H,2-9,13H2,1H3,(H,23,24,25)(H,26,27,28)


name: Calcium bis[3-(dodecylthio)propionate]
cas: 36452-66-1
formula: C15H30O2S.1/2Ca
inchikey: WPBKLXIJCPTIAL-UHFFFAOYSA-L
norman_susdat_id: NS00089115
smiles: [Ca+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: (decyloxy)(1-methylethoxy)magnesium
cas: 36452-89-8
formula: C13H28MgO2
inchikey: NDCYMUFLJIBKPX-UHFFFAOYSA-N
norman_susdat_id: NS00089305
smiles: CCCCCCCCCCO[Mg]OC(C)C
inchi:
InChI=1/C10H21O.C3H7O.Mg/c1-2-3-4-5-6-7-8-9-10-11;1-3(2)4;/h2-10H2,1H3;3H,1-2H3;/q2*-1;+2/rC13H28MgO2/c1-4-5-6-7-8-9-10-11-12-15-14-16-13(2)3/h13H,4-12H2,1-3H3


name: alpha-Zearalenol
cas: 36455-72-8
chebiid: CHEBI:35065
chemspiderid: 20118833
dtxsid: DTXSID8022402
formula: C18H24O5
inchikey: FPQFYIAXQDXNOR-QDKLYSGJSA-N
norman_susdat_id: NS00009213
pubchem_cid: 5284645
smiles: C[C@H]1CCC[C@H](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
inchi:
InChI=1S/C18H24O5/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/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1


name: Oestr-4-en-17-one
cas: 3646-28-4
dtxsid: DTXSID80957785
formula: C18H26O
inchikey: OLYAEHZZXXLNQQ-QXUSFIETSA-N
norman_susdat_id: NS00048363
pubchem_cid: 107437
smiles: O=C1CCC2C3CCC4=CCCCC4C3CCC12C
inchi:
InChI=1/C18H26O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h4,13-16H,2-3,5-11H2,1H3


name: Doripenem
cas: 364622-82-2
chebiid: CHEBI:135928
chemspiderid: 66040
dtxsid: DTXSID2046678
formula: C15H24N4O6S2
inchikey: AVAACINZEOAHHE-VFZPANTDSA-N
norman_susdat_id: NS00005919
pubchem_cid: 6918242
smiles: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1


name: Penta-N-acetylchitopentaose
cas: 36467-68-2
chemspiderid: 392429
formula: C40H67N5O26
inchikey: DPTYILOGADPXRZ-NFYHBMEESA-N
norman_susdat_id: NS00018349
pubchem_cid: 131668558
inchi:
InChI=1S/C40H67N5O26/c1-12(52)41-17(6-46)27(58)33(18(57)7-47)68-38-24(43-14(3)54)30(61)35(20(9-49)65-38)70-40-26(45-16(5)56)32(63)36(22(11-51)67-40)71-39-25(44-15(4)55)31(62)34(21(10-50)66-39)69-37-23(42-13(2)53)29(60)28(59)19(8-48)64-37/h6,17-40,47-51,57-63H,7-11H2,1-5H3,(H,41,52)(H,42,53)(H,43,54)(H,44,55)(H,45,56)/t17?,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+/m1/s1

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


cas: 36475-52-2
chemspiderid: 8526920
dtxsid: DTXSID60189986
formula: C12H36N4O18P6
inchikey: AEVPMLJXQLYMMI-UHFFFAOYSA-N
norman_susdat_id: NS00030048
pubchem_cid: 10351468
smiles: OP(=O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O
name:
(Ethane-1,2-diylbis(((phosphonomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonic acid

inchi:
InChI=1S/C12H36N4O18P6/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34)


name: 7-[[2-acetamido-2-deoxy-ß-D-galactopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one
cas: 36476-29-6
formula: C18H21NO8
inchikey: QCTHLCFVVACBSA-SOVHRIKKSA-N
norman_susdat_id: NS00089289
smiles: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc3C(=CC(=O)Oc3c2)C
inchi:
InChI=1/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)


name: Dioctyltin dilaurate
cas: 3648-18-8
dtxsid: DTXSID5052044
formula: C16H34Sn
inchikey: XQBCVRSTVUHIGH-UHFFFAOYSA-L
norman_susdat_id: NS00047642
pubchem_cid: 16686126
smiles: O=C([O-])CCCCCCCCCCC.O=C([O-])CCCCCCCCCCC.[Sn+2](CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C12H24O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC16H34Sn.2C12H24O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-16H2,1-2H3;2*2-11H2,1H3,(H,13,14)/q+2;;/p-2


name: Diundecyl phthalate
cas: 3648-20-2
chemspiderid: 18193
dtxsid: DTXSID7025215
formula: C30H50O4
inchikey: QQVHEQUEHCEAKS-UHFFFAOYSA-N
norman_susdat_id: NS00005379
pubchem_cid: 19283
smiles: CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC
inchi:
InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3


name: Diheptyl phthalate
cas: 3648-21-3
chebiid: CHEBI:34677
chemspiderid: 18194
dtxsid: DTXSID8040779
formula: C22H34O4
inchikey: JQCXWCOOWVGKMT-UHFFFAOYSA-N
norman_susdat_id: NS00015469
pubchem_cid: 19284
smiles: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC
inchi:
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 3648-36-0
dtxsid: DTXSID80884002
formula: C22H26ClN2
inchikey: ZTBANYZVKCGOKD-UHFFFAOYSA-M
norman_susdat_id: NS00048419
pubchem_cid: NA
smiles: [Cl-].ClCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C
inchi:
InChI=1/C22H26ClN2.ClH/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;/h5-14H,15-16H2,1-4H3;1H/q+1;/p-1


name: 4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenylethyl carbonate
cas: 36490-27-4
chemspiderid: 106324
dtxsid: DTXSID50189995
formula: C23H17N1O7
inchikey: QXIBJIXBYGNLRE-UHFFFAOYSA-N
norman_susdat_id: NS00030050
pubchem_cid: 118988
smiles: CCOC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4c(cccc4)C(=O)c3c2N)cc1
inchi:
InChI=1S/C23H17NO7/c1-2-29-23(28)31-13-9-7-12(8-10-13)30-17-11-16(25)18-19(20(17)24)22(27)15-6-4-3-5-14(15)21(18)26/h3-11,25H,2,24H2,1H3


name: 9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate)
cas: 36493-04-6
dtxsid: DTXSID70957799
formula: C22H29FO8S
inchikey: URGVZGFGWFYRGP-UHFFFAOYSA-N
norman_susdat_id: NS00058365
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COS(=O)(=O)O)C4(C)CC(O)C32F)C
inchi:
InChI=1/C22H29FO8S/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H,28,29,30)


cas: 36493-25-1
formula: C36H70O3
norman_susdat_id: NS00101773
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(16-methyl-1-oxoheptadecyl)-.omega.-[(16-methyl-1-oxoheptadecyl)oxy]-


name: Trimethyl[(1-oxooctadecyl)amino]propylammonium chloride
cas: 36495-65-5
dtxsid: DTXSID20957800
formula: C24H51N2O
inchikey: OHANZUSHCSEVTQ-UHFFFAOYSA-N
norman_susdat_id: NS00058334
pubchem_cid: 3015843
smiles: [Cl-].O=C(NC(CC)[N+](C)(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50N2O.ClH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;/h23H,6-22H2,1-5H3;1H


name: Diethylmethyl[2-[(2-methyl-1-oxoallyl)amino]ethyl]ammonium methyl sulphate
cas: 36497-92-4
dtxsid: DTXSID80957801
formula: C11H22N2O
inchikey: CTIAOQLYJCGVON-UHFFFAOYSA-N
norman_susdat_id: NS00057933
pubchem_cid: 3015844
smiles: O=C(NCC[NH2+]C(CC)CC)C(=C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C11H22N2O.CH4O4S/c1-5-10(6-2)12-7-8-13-11(14)9(3)4;1-5-6(2,3)4/h10,12H,3,5-8H2,1-2,4H3,(H,13,14);1H3,(H,2,3,4)


name: Tetrasodium ethane-1,1,2,2-tetracarboxylate
cas: 36499-56-6
dtxsid: DTXSID10189996
formula: C6H6O8
inchikey: DVWOQWYTAACVCO-UHFFFAOYSA-J
norman_susdat_id: NS00059398
pubchem_cid: 11970475
smiles: [Na+].[Na+].[Na+].[Na+].O=C([O-])C(C(=O)[O-])C(C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H6O8.4Na/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;;;/h1-2H,(H,7,8)(H,9,10)(H,11,12)(H,13,14);;;;/q;4*+1/p-4


name: Dicobalt edetate
cas: 36499-65-7
formula: C10H12CoN2O8.Co
inchikey: TWAWHTJKASJPEK-UHFFFAOYSA-J
norman_susdat_id: NS00089340
smiles: [Co+2].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.2Co/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4


name: Thymidine 5'-monophosphate
cas: 365-07-1
chebiid: CHEBI:17013
chemspiderid: 9319
formula: C10H15N2O8P1
inchikey: GYOZYWVXFNDGLU-XLPZGREQSA-N
norman_susdat_id: NS00014957
pubchem_cid: 9700
smiles: O=P(O)(O)OCC2OC(N1C(=O)NC(=O)/C(=C/1)C)CC2O
inchi:
InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1


name: Thymidine 5'-triphosphate
cas: 365-08-2
chebiid: CHEBI:18077
chemspiderid: 58493
dtxsid: DTXSID30189998
formula: C10H17N2O14P3
inchikey: NHVNXKFIZYSCEB-XLPZGREQSA-N
norman_susdat_id: NS00015086
pubchem_cid: 64968
smiles: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)/C(=C/1)C)CC2O
inchi:
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1


name: Lead bis(dipentyldithiocarbamate)
cas: 36501-84-5
formula: C22H44N2PbS4
inchikey: KDQZPXCKTHKGQM-UHFFFAOYSA-L
norman_susdat_id: NS00089313
smiles: [Pb+2].[S-]C(=S)N(CCCCC)CCCCC.CCCCCN(CCCCC)C([S-])=S
inchi:
InChI=1/2C11H23NS2.Pb.2H/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;;;/h2*3-10H2,1-2H3,(H,13,14);;;/q;;+4;;/p-2/r2C11H23NS2.H2Pb/c2*1-3-5-7-9-12(11(13)14)10-8-6-4-2;/h2*3-10H2,1-2H3,(H,13,14);1H2/q;;+4/p-2


name: Benzydamine N-oxide
cas: 36504-71-9
chemspiderid: 58918
dtxsid: DTXSID90190005
formula: C19H23N3O2
inchikey: VHKKEFPZHPEYJK-UHFFFAOYSA-N
norman_susdat_id: NS00040652
pubchem_cid: 65465
smiles: C[N+](C)([O-])CCCOc1nn(Cc2ccccc2)c2ccccc12
inchi:
InChI=1S/C19H23N3O2/c1-22(2,23)13-8-14-24-19-17-11-6-7-12-18(17)21(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3


cas: 36505-52-9
formula: C25H21N3O6S
inchikey: JZQONTDEAKNNEP-UHFFFAOYSA-N
norman_susdat_id: NS00057934
pubchem_cid: 118992
smiles: O=C(NC1=CC=C(C=C1C)C)C2=CC(O)=C(N=NC3=CC(=CC=C3O)S(=O)(=O)O)C=4C=CC=CC42
name:
3-[[4-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonic acid

inchi:
InChI=1/C25H21N3O6S/c1-14-7-9-20(15(2)11-14)26-25(31)19-13-23(30)24(18-6-4-3-5-17(18)19)28-27-21-12-16(35(32,33)34)8-10-22(21)29/h3-13,29-30H,1-2H3,(H,26,31)(H,32,33,34)


name: Buspirone
cas: 36505-84-7
chebiid: CHEBI:3223
chemspiderid: 2383
dtxsid: DTXSID2022707
formula: C21H31N5O2
inchikey: QWCRAEMEVRGPNT-UHFFFAOYSA-N
norman_susdat_id: NS00005411
pubchem_cid: 2477
smiles: O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
inchi:
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2


name: 4-anilinobenzenediazonium tetrachlorozincate (2:1)
cas: 36505-86-9
formula: C12H10N3.1/2Cl4Zn
inchikey: YCBQIKXKAGTKRK-UHFFFAOYSA-J
norman_susdat_id: NS00089341
smiles: Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3
inchi:
InChI=1/2C12H10N3.4ClH.Zn/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;;;;;/h2*1-9,14H;4*1H;/q2*+1;;;;;+2/p-4/r2C12H10N3.Cl4Zn/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-9,14H;/q2*+1;-2


name: Carbamazepine epoxide
cas: 36507-30-9
chebiid: CHEBI:3388
chemspiderid: 2458
dtxsid: DTXSID60891456
formula: C15H12N2O2
inchikey: ZRWWEEVEIOGMMT-UHFFFAOYSA-N
norman_susdat_id: NS00000327
pubchem_cid: 2555
smiles: NC(=O)N2c1ccccc1C4OC4c3ccccc23
inchi:
InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)


name: 1-(tert-butylamino)-3-(o-cyclopentylphenoxy)propan-2-ol
cas: 36507-48-9
formula: C18H29NO2
inchikey: KQXKVJAGOJTNJS-UHFFFAOYSA-N
norman_susdat_id: NS00089781
smiles: CC(C)(C)NCC(O)COc1ccccc1C2CCCC2
inchi:
InChI=1/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3


cas: 36508-10-8
formula: C24H23ClN8O11S3
inchikey: WKQYCYAFALACBK-UHFFFAOYSA-N
norman_susdat_id: NS00058335
pubchem_cid: NA
name:
5-[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonic acid

inchi:
InChI=1/C24H23ClN8O11S3/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41/h4-10,35H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30)

smiles:
O=C1C(=C(C(N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=CC(=C4)S(=O)(=O)O)=C(O)N1CC)C)CS(=O)(=O)O


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methylphenyl)-
cas: 3651-62-5
chemspiderid: 69642
dtxsid: DTXSID4063115
formula: C18H15N1O2
inchikey: NBBZFRCZVJXXHT-UHFFFAOYSA-N
norman_susdat_id: NS00021135
pubchem_cid: 77215
smiles: Cc1ccc(NC(=O)c2cc3c(cccc3)cc2O)cc1
inchi:
InChI=1S/C18H15NO2/c1-12-6-8-15(9-7-12)19-18(21)16-10-13-4-2-3-5-14(13)11-17(16)20/h2-11,20H,1H3,(H,19,21)


name: Solaniol
cas: 36519-25-2
chemspiderid: 24703851
dtxsid: DTXSID40891813
formula: C19H26O8
inchikey: TVZHDVCTOCZDNE-XERHNWJPSA-N
norman_susdat_id: NS00100890
pubchem_cid: 13818797
smiles: CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C
inchi:
InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17-,18+,19-/m0/s1


name: SORBITAN DISTEARATE
cas: 36521-89-8
chemspiderid: 13816845
formula: C42H80O7
inchikey: CFSBKZAGHNEMSD-UHFFFAOYSA-N
norman_susdat_id: NS00014100
pubchem_cid: 21845368
smiles: CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)C1OC[C@H](O)[C@H]1OC(=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(35-43)42-41(37(44)36-47-42)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: Disodium 6-amino-5-[[5-(benzoylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 36525-74-3
dtxsid: DTXSID9067984
formula: C23H18N4O8S2
inchikey: HFXCNIZZMBMKFE-UHFFFAOYSA-L
norman_susdat_id: NS00057950
pubchem_cid: NA
inchi:
InChI=1/C23H18N4O8S2.2Na/c24-17-8-6-14-10-16(36(30,31)32)12-19(28)21(14)22(17)27-26-18-11-15(7-9-20(18)37(33,34)35)25-23(29)13-4-2-1-3-5-13;;/h1-12,28H,24H2,(H,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C=4C=CC=CC4


name: Diallyl cyclohexane-1,4-diylbis(methylenecarbonate)
cas: 36528-45-7
dtxsid: DTXSID30957831
formula: C16H24O6
inchikey: FBMMWSZSVHIASG-UHFFFAOYSA-N
norman_susdat_id: NS00057951
pubchem_cid: 119004
smiles: O=C(OCC=C)OCC1CCC(COC(=O)OCC=C)CC1
inchi:
InChI=1/C16H24O6/c1-3-9-19-15(17)21-11-13-5-7-14(8-6-13)12-22-16(18)20-10-4-2/h3-4,13-14H,1-2,5-12H2


name: Ikarugamycin
cas: 36531-78-9
chebiid: CHEBI:75276
chemspiderid: 24603436
formula: C29H38N2O4
inchikey: WSUGGLXIPUHOSG-QOMLVTEJSA-N
norman_susdat_id: NS00011649
pubchem_cid: NA
inchi:
InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,34H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1

smiles:
CC[C@@H]1[C@@H](C[C@H]2[C@H]1C=C[C@H]3[C@@H]2C[C@@H]4[C@@H]3C/C=CC(=O)NCCC[C@H]5C(=C(C(=O)/C=C4)C(=O)N5)O)C


cas: 36536-22-8
dtxsid: DTXSID70884814
formula: C27H31N2
inchikey: UANMYOBKUNUUTR-UHFFFAOYSA-M
norman_susdat_id: NS00058389
pubchem_cid: NA
smiles: [I-].C(=CC=C1N(C=2C=CC=CC2C1(C)C)C)C=CC3=[N+](C=4C=CC=CC4C3(C)C)C
name:
2-[5-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)penta-1,3-dienyl]-1,3,3-trimethyl-3H-indolium iodide

inchi:
InChI=1/C27H31N2.HI/c1-26(2)20-14-10-12-16-22(20)28(5)24(26)18-8-7-9-19-25-27(3,4)21-15-11-13-17-23(21)29(25)6;/h7-19H,1-6H3;1H/q+1;/p-1


cas: 3654-78-2
formula: C36H52N12O14S2
inchikey: JASSZWULUSJCFH-SEPHDYHBSA-L
norman_susdat_id: NS00048422
pubchem_cid: 6451581
name:
Disodium 4,4'-bis[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C36H52N12O14S2.2Na/c49-15-7-45(8-16-50)33-39-31(40-34(43-33)46(9-17-51)10-18-52)37-27-5-3-25(29(23-27)63(57,58)59)1-2-26-4-6-28(24-30(26)64(60,61)62)38-32-41-35(47(11-19-53)12-20-54)44-36(42-32)48(13-21-55)14-22-56;;/h1-6,23-24,49-56H,7-22H2,(H,57,58,59)(H,60,61,62)(H,37,39,40,43)(H,38,41,42,44);;/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(CCO)CCO)N(CCO)CCO)NC=4N=C(N=C(N4)N(CCO)CCO)N(CCO)CCO


name: Pyrasulfotole
cas: 365400-11-9
chebiid: CHEBI:141518
chemspiderid: 11369196
dtxsid: DTXSID2044343
formula: C14H13F3N2O4S
inchikey: DWSPRBSLSXQIEJ-UHFFFAOYSA-N
norman_susdat_id: NS00073933
smiles: CN1N=C(C)C(C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(C)(=O)=O)=C1O
inchi:
InChI=1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3


name: Indeno[4,5-d]-1,3-dioxin, 4,4a,5,6,7,8,9,9b-octahydro-7,7,8,9,9-pentamethyl-
cas: 365411-50-3
chemspiderid: 19489003
dtxsid: DTXSID80889173
formula: C16H26O2
inchikey: NJQDALIDWNJDSW-UHFFFAOYSA-N
norman_susdat_id: NS00019896
pubchem_cid: 15552386
smiles: CC1C(C2=C(C1(C)C)C3C(CC2)COCO3)(C)C
inchi:
InChI=1S/C16H26O2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h10-11,14H,6-9H2,1-5H3/t10-,11+,14+/m1/s1


name: Darexaban
cas: 365462-23-3
formula: C27H30N4O4
inchikey: IJNIQYINMSGIPS-UHFFFAOYSA-N
norman_susdat_id: NS00072937
pubchem_cid: 9912771
smiles: COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1
inchi:
InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)


name: Disodium N-(2-carboxyethyl)-N-dodecyl-ß-alaninate
cas: 3655-00-3
formula: C18H35NO4.2Na
inchikey: CWRSSRYYUVBLEH-UHFFFAOYSA-L
norman_susdat_id: NS00083110
smiles: [Na+].[Na+].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-].CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1/2C18H35NO4.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23;;/h2*2-16H2,1H3,(H,20,21)(H,22,23);;/q;;2*+1/p-2


name: 4-nitrophenyl N-[(1,1-dimethylethoxy)carbonyl]glycinate
cas: 3655-05-8
dtxsid: DTXSID90190045
formula: C13H17N2O6
inchikey: YQLQFFHXBLDWLW-UHFFFAOYSA-N
norman_susdat_id: NS00048423
pubchem_cid: 77217
smiles: O=C(OC(C)(C)C)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C13H16N2O6/c1-13(2,3)21-12(17)14-8-11(16)20-10-6-4-9(5-7-10)15(18)19/h4-7H,8H2,1-3H3,(H,14,17)


name: 9H,9H-Triacontafluoro-8,10-heptadecanedione
cas: 36554-97-9
dtxsid: DTXSID80407235
formula: C17H2F30O2
inchikey: ZXHJIRSEEIEAQG-UHFFFAOYSA-N
norman_susdat_id: NS00111581
inchi:
InChI=1S/C17H2F30O2/c18-4(19,6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(42,43)44)2(48)1-3(49)5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)17(45,46)47/h1H2

smiles:
FC(F)(F)C(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)C(F)(F)F


name: 11-Hydroxytetrahydrocannabinol
cas: 36557-05-8
chemspiderid: 34385
dtxsid: DTXSID50190061
formula: C21H30O3
inchikey: YCBKSSAWEUDACY-UHFFFAOYSA-N
norman_susdat_id: NS00002222
pubchem_cid: 37482
smiles: CCCCCc1cc(O)c2C3C=C(CO)CCC3C(C)(C)Oc2c1
inchi:
InChI=1S/C21H30O3/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22)8-9-17(16)21(2,3)24-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3


name: Hexestrol dibutyrate
cas: 36557-18-3
formula: C26H34O4
inchikey: JTBPVVVYALFNNO-PSWAGMNNSA-N
norman_susdat_id: NS00057403
pubchem_cid: 118332
smiles: O=C(OC1=CC=C(C=C1)C(CC)C(C2=CC=C(OC(=O)CCC)C=C2)CC)CCC
inchi:
InChI=1/C26H34O4/c1-5-9-25(27)29-21-15-11-19(12-16-21)23(7-3)24(8-4)20-13-17-22(18-14-20)30-26(28)10-6-2/h11-18,23-24H,5-10H2,1-4H3


name: 2-((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethanol
cas: 3656-22-2
chemspiderid: 69645
dtxsid: DTXSID90190065
formula: C17H17Cl1N2O3S1
inchikey: WCXDRTSNSUAZLB-UHFFFAOYSA-N
norman_susdat_id: NS00030058
pubchem_cid: 77218
smiles: OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C17H17ClN2O3S/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)24(22,23)12-11-21/h1-8,21H,9-12H2


cas: 36563-57-2
formula: C29H54NO2
norman_susdat_id: NS00101806
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[octadecyl(phenylmethyl)iminio]di-2,1-ethanediyl]bis[.omega.-hydroxy-, chloride


name: Bis[[tetrahydro-4-hydroxy-3,5,5-tris[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-3-yl]methyl] maleate
cas: 36563-79-8
formula: C130H240O20
inchikey: SQIRRMXWVMHVAX-JXNMGTENSA-N
norman_susdat_id: NS00057850
pubchem_cid: 6441573
inchi:
InChI=1/C130H240O20/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-117(131)143-109-127(110-144-118(132)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2)105-141-107-129(125(127)139,113-147-121(135)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)115-149-123(137)103-104-124(138)150-116-130(114-148-122(136)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)108-142-106-128(126(130)140,111-145-119(133)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)112-146-120(134)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4/h103-104,125-126,139-140H,7-102,105-116H2,1-6H3

smiles:
O=C(OCC1(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)C1O)C=CC(=O)OCC2(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)C2O


cas: 36573-63-4
dtxsid: DTXSID50957853
formula: C31H42O10
inchikey: OXKMZIABKYHLAR-UHFFFAOYSA-N
norman_susdat_id: NS00058904
pubchem_cid: 94475
smiles: O=CC12CC3OC4(O)C(OC(C)CC4OC(=O)C)OC3CC2CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O
name:
[2a(2S,3S,4S,6R),3ß,5a]-2,3-[[4-acetoxytetrahydro-3-hydroxy-6-methyl-2H-pyran-3,2-diyl]bis(oxy)]-14-hydroxy-19-oxocard-20(22)-enolide

inchi:
InChI=1/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3


name: Cyanazine acid
cas: 36576-43-9
chemspiderid: 157871
formula: C9H14Cl1N5O2
inchikey: WYIJTMNAAMADHT-UHFFFAOYSA-N
norman_susdat_id: NS00004786
pubchem_cid: 181486
smiles: CCNc1nc(Cl)nc(NC(C)(C)C(O)=O)n1
inchi:
InChI=1S/C9H14ClN5O2/c1-4-11-7-12-6(10)13-8(14-7)15-9(2,3)5(16)17/h4H2,1-3H3,(H,16,17)(H2,11,12,13,14,15)


name: 1-(1-oxooctadecyl)-L-proline
cas: 36577-40-9
chebiid: CHEBI:165571
dtxsid: DTXSID90957857
formula: C23H43NO3
inchikey: IYWTVBWXIUJHNJ-NRFANRHFSA-N
norman_susdat_id: NS00057476
pubchem_cid: 15221000
smiles: O=C(N1CCCC1C(=O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h21H,2-20H2,1H3,(H,26,27)


name: Bis(2-ethylhexyl) phosphonate
cas: 3658-48-8
chemspiderid: 18217
dtxsid: DTXSID2044927
formula: C16H34O3P1
inchikey: HZIUHEQKVCPTAJ-UHFFFAOYNA-N
norman_susdat_id: NS00021136
pubchem_cid: NA
smiles: CCCCC(CC)CO[P+](=O)OCC(CC)CCCC
inchi:
InChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16+


name: Ammonium 8-chlorohexadecafluoro-7-methyloctanoate
cas: 3658-57-9
chemspiderid: 96411
dtxsid: DTXSID30880195
formula: C9H1Cl1F16O2
inchikey: LBWRYZYPHNSXRY-VKHMYHEASA-N
norman_susdat_id: NS00011412
pubchem_cid: 99116901
smiles: O=C(C(C(C(C(C(C(C(F)(F)F)(C(Cl)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N
inchi:
InChI=1S/C9HClF16O2.H3N/c10-8(22,23)3(13,9(24,25)26)5(16,17)7(20,21)6(18,19)4(14,15)2(11,12)1(27)28;/h(H,27,28);1H3


name: Ammonium perfluoro(7-methyloctanoate)
cas: 3658-62-6
dtxsid: DTXSID90880196
formula: C9H4F17NO2
inchikey: KWWRXVUVAJNKMN-UHFFFAOYSA-N
norman_susdat_id: NS00111954
smiles: [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2.H3N/c10-2(11,1(27)28)4(13,14)6(17,18)7(19,20)5(15,16)3(12,8(21,22)23)9(24,25)26;/h(H,27,28);1H3


name: Ammonium perfluoro-9-(methyl)decanoate
cas: 3658-63-7
dtxsid: DTXSID50880197
formula: C11H4F21NO2
inchikey: AAQYFENFDQNVMY-UHFFFAOYSA-N
norman_susdat_id: NS00110590
smiles: [H][NH+]([H])[H].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11HF21O2.H3N/c12-2(13,1(33)34)4(15,16)6(19,20)8(23,24)9(25,26)7(21,22)5(17,18)3(14,10(27,28)29)11(30,31)32;/h(H,33,34);1H3


name: 1-[(3-nitrophenyl)methyl]quinolinium chloride
cas: 36586-67-1
dtxsid: DTXSID80190074
formula: C16H14N2O2
inchikey: MUBWEXZDRIKTRS-UHFFFAOYSA-M
norman_susdat_id: NS00058905
pubchem_cid: 16205095
smiles: [Cl-].O=[N+]([O-])C1=CC=CC(=C1)C[N+]2=CC=CC=3C=CC=CC32
inchi:
InChI=1/C16H13N2O2.ClH/c19-18(20)15-8-3-5-13(11-15)12-17-10-4-7-14-6-1-2-9-16(14)17;/h1-11H,12H2;1H/q+1;/p-1


name: 1,1'-tetramethylenediguanidine sulphate
cas: 36587-93-6
dtxsid: DTXSID3048738
formula: C6H16N6
inchikey: RWTGFMPOODRXIM-UHFFFAOYSA-N
norman_susdat_id: NS00057851
pubchem_cid: 2227
smiles: O=S(=O)(O)O.N=C(N)NCCCCNC(=N)N
inchi:
InChI=1/C6H16N6.H2O4S/c7-5(8)11-3-1-2-4-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)


name: 1,3-diethyl-5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-2-thioxoimidazolidin-4-one
cas: 36590-99-5
formula: C14H21N3OS2
inchikey: XQYIBWCVAHEFAM-UHFFFAOYSA-N
norman_susdat_id: NS00057852
pubchem_cid: 119023
smiles: O=C1C(=CC=C2SCCN2CC)N(C(=S)N1CC)CC
inchi:
InChI=1/C14H21N3OS2/c1-4-15-9-10-20-12(15)8-7-11-13(18)17(6-3)14(19)16(11)5-2/h7-8H,4-6,9-10H2,1-3H3


name: Carindacillin
cas: 366-63-2
chebiid: CHEBI:52015
chemspiderid: 84127
formula: C26H26N2O6S1
inchikey: JIRBAUWICKGBFE-MNRDOXJOSA-N
norman_susdat_id: NS00011622
pubchem_cid: 93184
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)Oc4ccc5c(c4)CCC5)C(=O)O)C
inchi:
InChI=1S/C26H26N2O6S/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)/t18?,19-,20+,23-/m1/s1


name: Procarbazine hydrochloride
cas: 366-70-1
chebiid: CHEBI:71428
formula: C12H19N3O.ClH
inchikey: DERJYEZSLHIUKF-UHFFFAOYSA-N
norman_susdat_id: NS00079410
smiles: Cl.CNNCc1ccc(cc1)C(=O)NC(C)C
inchi:
InChI=1/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H


name: Mubritinib
cas: 366017-09-6
dtxsid: DTXSID30870339
formula: C25H23F3N4O2
inchikey: ZTFBIUXIQYRUNT-MDWZMJQESA-N
norman_susdat_id: NS00070519
pubchem_cid: 6444692
smiles: FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
inchi:
InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+


name: Tridecyl myristate
cas: 36617-27-3
chemspiderid: 2283903
dtxsid: DTXSID60190092
formula: C27H54O2
inchikey: CTWLAMKOJQOQLN-UHFFFAOYSA-N
norman_susdat_id: NS00014165
pubchem_cid: 3015849
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C27H54O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: Tridecyl palmitate
cas: 36617-38-6
chemspiderid: 89047
dtxsid: DTXSID20190093
formula: C29H58O2
inchikey: QEIJVPZRDAHCHE-UHFFFAOYSA-N
norman_susdat_id: NS00030064
pubchem_cid: 98602
smiles: CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C29H58O2/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-29(30)31-28-26-24-22-20-18-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: 3-[2-[2-(heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethoxy]propionic acid
cas: 36619-33-7
formula: C25H46N2O3
inchikey: XKGFXGQLZRIOEF-UHFFFAOYSA-N
norman_susdat_id: NS00057480
pubchem_cid: 3015850
smiles: O=C(O)CCOCCN1C(=NCC1)C=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h16-17H,2-15,18-23H2,1H3,(H,28,29)


name: (-)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl][2-(3,4-dimethoxyphenyl)ethyl]methylammonium chloride
cas: 36622-28-3
dtxsid: DTXSID20957885
formula: C26H36N2O4
inchikey: GXSNJQVFIBEXRJ-UHFFFAOYSA-N
norman_susdat_id: NS00057866
pubchem_cid: 57358013
smiles: [Cl-].N#CC(C1=CC=C(OC)C(OC)=C1)(CC)CCC[NH+](C)CCC2=CC=C(OC)C(OC)=C2
inchi:
InChI=1/C26H36N2O4.ClH/c1-7-26(19-27,21-10-12-23(30-4)25(18-21)32-6)14-8-15-28(2)16-13-20-9-11-22(29-3)24(17-20)31-5;/h9-12,17-18H,7-8,13-16H2,1-6H3;1H


name: (-)-3-(3,4-dimethoxyphenyl)-6-[(5,6-dimethoxyphenethyl)methylamino]hexane-3-carbonitrile
cas: 36622-29-4
formula: C27H38N2O4
inchikey: FTZCBMKQDCJEKJ-UHFFFAOYSA-N
norman_susdat_id: NS00088884
smiles: CCC(CCCN(C)CCc1cccc(OC)c1OC)(C#N)c2ccc(OC)c(OC)c2
inchi:
InChI=1/C26H36N2O4/c1-7-26(19-27,21-12-13-22(29-3)24(18-21)31-5)15-9-16-28(2)17-14-20-10-8-11-23(30-4)25(20)32-6/h8,10-13,18H,7,9,14-17H2,1-6H3


name: 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl hydrogen maleate
cas: 3663-96-5
formula: C21H19ClN2O6S
inchikey: CVCDYYJPSNZSDD-KTKRTIGZSA-N
norman_susdat_id: NS00048415
pubchem_cid: 6437307
smiles: O=C(O)C=CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
inchi:
InChI=1/C21H19ClN2O6S/c22-16-3-1-15(2-4-16)19-11-12-24(23-19)17-5-7-18(8-6-17)31(28,29)14-13-30-21(27)10-9-20(25)26/h1-10H,11-14H2,(H,25,26)


name: [3-(decylthio)-2-hydroxypropyl]trimethylammonium p-toluenesulphonate
cas: 3663-99-8
dtxsid: DTXSID40884003
formula: C16H36NOS
inchikey: KZNJUWRBNCQTPW-UHFFFAOYSA-M
norman_susdat_id: NS00047716
pubchem_cid: 107443
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OC(CSCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C16H36NOS.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-19-15-16(18)14-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h16,18H,5-15H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: triisodecyl benzene-1,2,4-tricarboxylate
cas: 36631-30-8
chemspiderid: 148487
formula: C39H66O6
inchikey: FJFYFBRNDHRTHL-UHFFFAOYSA-N
norman_susdat_id: NS00004388
pubchem_cid: 169794
smiles: CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3


name: N-(3-Hydroxy-4-((methylsulphonyl)amino)phenyl)methacrylamide
cas: 36636-14-3
chemspiderid: 2283905
dtxsid: DTXSID50190102
formula: C11H14N2O4S1
inchikey: HRBJBJSKLARFRA-UHFFFAOYSA-N
norman_susdat_id: NS00030070
pubchem_cid: 3015852
smiles: CC(=C)C(=O)Nc1cc(O)c(NS(=O)(=O)C)cc1
inchi:
InChI=1S/C11H14N2O4S/c1-7(2)11(15)12-8-4-5-9(10(14)6-8)13-18(3,16)17/h4-6,13-14H,1H2,2-3H3,(H,12,15)


name: Etidocaine
cas: 36637-18-0
chebiid: CHEBI:4904
chemspiderid: 34400
dtxsid: DTXSID1023027
formula: C17H28N2O1
inchikey: VTUSIVBDOCDNHS-UHFFFAOYSA-N
norman_susdat_id: NS00006006
pubchem_cid: 37497
smiles: CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
inchi:
InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)


name: Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(sulfooxy)-, monosodium salt, (11ß)-
cas: 3664-95-7
dtxsid: DTXSID60957900
formula: C21H28O8S
inchikey: LTWZNVWFOGRESW-WDCKKOMHSA-N
norman_susdat_id: NS00049053
pubchem_cid: NA
smiles: [Na+].O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COS(=O)(=O)O)C4(C)CC(O)C32)C
inchi:
InChI=1/C21H28O8S.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,(H,26,27,28);/q;+1


name: Tridecyl laurate
cas: 36665-67-5
chemspiderid: 2283908
dtxsid: DTXSID30190120
formula: C25H50O2
inchikey: INJZMNQWJIWOEA-UHFFFAOYSA-N
norman_susdat_id: NS00030075
pubchem_cid: 3015855
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C25H50O2/c1-3-5-7-9-11-13-14-16-18-20-22-24-27-25(26)23-21-19-17-15-12-10-8-6-4-2/h3-24H2,1-2H3


name: Hexaglycerol
cas: 36675-34-0
dtxsid: DTXSID40957923
formula: C18H38O13
inchikey: FWTZRWTUPSQZOG-UHFFFAOYSA-N
norman_susdat_id: NS00057906
pubchem_cid: 9825599
smiles: OCC(O)COCC(O)COCC(O)COCC(O)COCC(O)COCC(O)CO
inchi:
InChI=1/C18H38O13/c19-1-13(21)3-27-5-15(23)7-29-9-17(25)11-31-12-18(26)10-30-8-16(24)6-28-4-14(22)2-20/h13-26H,1-12H2


name: Rivaroxaban
cas: 366789-02-8
chemspiderid: 4938307
dtxsid: DTXSID3057723
formula: C19H18Cl1N3O5S1
inchikey: KGFYHTZWPPHNLQ-UHFFFAOYSA-N
norman_susdat_id: NS00005338
pubchem_cid: 6433119
smiles: Clc1ccc(s1)C(=O)NCC1CN(C(=O)O1)c1ccc(cc1)N1CCOCC1=O
inchi:
InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)


cas: 36687-82-8
formula: C18H36N2O12
norman_susdat_id: NS00105235
name:
L-Propanaminium, 3-carboxy-2—hydroxy,N,N,N-trimethyl-(R)-salt with [R-(R*R*)]-2,3-dihydroxybutanedioic acid (2:1)


name: 1,1,3,3-tetrabutyl-1,3-bis[(1-oxododecyl)oxy]distannoxane
cas: 3669-02-1
formula: C40H82O5Sn2
inchikey: DMTINRVJBGOLMJ-UHFFFAOYSA-L
norman_susdat_id: NS00047718
pubchem_cid: 16683947
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC40H82O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-39(41)43-46(35-15-9-3,36-16-10-4)45-47(37-17-11-5,38-18-12-6)44-40(42)34-32-30-28-26-24-22-20-14-8-2/h7-38H2,1-6H3


name: a-[1-[(3,3-di-3-thienylallyl)amino]ethyl]benzyl alcohol hydrochloride
cas: 36702-84-8
formula: C20H21NOS2.ClH
inchikey: BRPBPTNOXZNOML-UHFFFAOYSA-N
norman_susdat_id: NS00088917
smiles: Cl.CC(NCC=C(c1ccsc1)c2ccsc2)C(O)c3ccccc3
inchi:
InChI=1/C20H21NOS2.ClH/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18;/h2-9,11-15,20-22H,10H2,1H3;1H


name: Inosine, compound with (2-hydroxypropyl)dimethylammonium p-acetamidobenzoate (1:3)
cas: 36703-88-5
formula: C10H12N4O5.3C9H9NO3.3C5H13NO
inchikey: YLDCUKJMEKGGFI-QCSRICIXSA-N
norman_susdat_id: NS00089119
inchi:
InChI=1/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,15-17H,1H2,(H,11,12,18);3*2-5H,1H3,(H,10,11)(H,12,13);3*5,7H,4H2,1-3H3

smiles:
CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(O)C[NH+](C)C.CC(=O)Nc1ccc(cc1)C(=O)[O-].CC(=O)Nc2ccc(cc2)C(=O)[O-].CC(=O)Nc3ccc(cc3)C(=O)[O-].OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(O)ncnc56


cas: 36705-33-6
dtxsid: DTXSID80865831
formula: C16H12Cl2N4O4S
inchikey: NVZMMVHKEJYBEU-UHFFFAOYSA-N
norman_susdat_id: NS00057549
pubchem_cid: 161920
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(Cl)C=C2S(=O)(=O)O)C=3C=CC=CC3Cl
name:
5-chloro-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid

inchi:
InChI=1/C16H12Cl2N4O4S/c1-9-15(16(23)22(21-9)13-5-3-2-4-11(13)18)20-19-12-7-6-10(17)8-14(12)27(24,25)26/h2-8,15H,1H3,(H,24,25,26)


name: beta-Solamarine
cas: 3671-38-3
chemspiderid: 168971
formula: C45H73NO15
inchikey: MBWUSSKCCUMJHO-SXCAMOPPSA-N
norman_susdat_id: NS00094320
pubchem_cid: 147795
smiles:
C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)NC1


name: Amicarbalide isetionate
cas: 3671-72-5
dtxsid: DTXSID80190175
formula: C17H22N4O9S2
inchikey: DDPYJSIKRQSXJJ-UHFFFAOYSA-N
norman_susdat_id: NS00047720
pubchem_cid: NA
smiles: O=C(NC=1C=CC=C(C1)NOCCS(=O)(=O)O)NC=2C=CC=C(C2)NOCCS(=O)(=O)O
inchi:
InChI=1/C17H22N4O9S2/c22-17(18-13-3-1-5-15(11-13)20-29-7-9-31(23,24)25)19-14-4-2-6-16(12-14)21-30-8-10-32(26,27)28/h1-6,11-12,20-21H,7-10H2,(H2,18,19,22)(H,23,24,25)(H,26,27,28)


name: Glucose 6-(disodium phosphate)
cas: 3671-99-6
formula: C6H13O9P.2Na
inchikey: VQLXCAHGUGIEEL-UHFFFAOYSA-L
norman_susdat_id: NS00083129
smiles: OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(O)C=O
inchi:
InChI=1/C6H13O9P.2Na/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;;/h1,3-6,8-11H,2H2,(H2,12,13,14);;/q;2*+1/p-2/rC6H11Na2O9P/c7-16-18(14,17-8)15-2-4(11)6(13)5(12)3(10)1-9/h1,3-6,10-13H,2H2


cas: 367273-07-2
formula: C22H22ClF2NO4
inchikey: PNAWUIKCVQSLFG-UHFFFAOYSA-N
norman_susdat_id: NS00068774
pubchem_cid: 9867758
smiles: CC1(C)CCC(C)(C)c2c1cc(C(=O)Nc1cc(F)c(C(=O)O)c(F)c1)c(O)c2Cl
name:
4-(4-chloro-3-hydroxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-amido)-2,6-difluorobenzoic acid

inchi:
InChI=1S/C22H22ClF2NO4/c1-21(2)5-6-22(3,4)16-12(21)9-11(18(27)17(16)23)19(28)26-10-7-13(24)15(20(29)30)14(25)8-10/h7-9,27H,5-6H2,1-4H3,(H,26,28)(H,29,30)


name: Iprodione
cas: 36734-19-7
chebiid: CHEBI:28909
chemspiderid: 34418
dtxsid: DTXSID3024154
formula: C13H13Cl2N3O3
inchikey: ONUFESLQCSAYKA-UHFFFAOYSA-N
norman_susdat_id: NS00000494
pubchem_cid: 37517
smiles: O=C2N(c1cc(Cl)cc(Cl)c1)C(=O)CN2C(=O)NC(C)C
eea_notation: CAS_36734-19-7
inchi:
InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)


name: Quazepam
cas: 36735-22-5
chebiid: CHEBI:8694
chemspiderid: 4825
dtxsid: DTXSID60190193
formula: C17H11Cl1F4N2S1
inchikey: IKMPWMZBZSAONZ-UHFFFAOYSA-N
norman_susdat_id: NS00001083
pubchem_cid: 4999
smiles: Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc12
inchi:
InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2


name: tert-butyl (S)-[1-benzyl-2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxoethyl]carbamate
cas: 3674-06-4
dtxsid: DTXSID80190195
formula: C18H22N2O6
inchikey: NHUCANAMPJGMQL-ZDUSSCGKSA-N
norman_susdat_id: NS00047739
pubchem_cid: 107447
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CC=2C=CC=CC2
inchi:
InChI=1/C18H22N2O6/c1-18(2,3)25-17(24)19-13(11-12-7-5-4-6-8-12)16(23)26-20-14(21)9-10-15(20)22/h4-8,13H,9-11H2,1-3H3,(H,19,24)


name: lurasidone hydrochloride
cas: 367514-87-2
chebiid: CHEBI:70735
dtxsid: DTXSID40870340
formula: C28H36N4O2S
inchikey: PQXKDMSYBGKCJA-CVTJIBDQSA-N
norman_susdat_id: NS00069589
pubchem_cid: 213046
smiles: O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
inchi:
InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m0/s1


cas: 36755-19-8
dtxsid: DTXSID3067996
formula: C27H36N3O2S
inchikey: VBCUGCNEFSBBMY-UHFFFAOYSA-M
norman_susdat_id: NS00059005
pubchem_cid: NA
smiles: O=C(OCC)N1CCN(C2=CC(=CC=CC=3SC=4C=CC=CC4[N+]3CC)CC(C)(C)C2)CC1.O=Cl(=O)(=O)[O-]
name:
2-[3-[3-[4-(ethoxycarbonyl)piperazin-1-yl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-ethylbenzothiazolium perchlorate

inchi:
InChI=1/C27H36N3O2S.ClHO4/c1-5-30-23-11-7-8-12-24(23)33-25(30)13-9-10-21-18-22(20-27(3,4)19-21)28-14-16-29(17-15-28)26(31)32-6-2;2-1(3,4)5/h7-13,18H,5-6,14-17,19-20H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: N-(3-chloropropyl)-3,4-dimethoxy-N-methylphenethylamine hydrochloride
cas: 36770-75-9
formula: C14H22ClNO2.ClH
inchikey: OXJTYZRBMQFHMP-UHFFFAOYSA-N
norman_susdat_id: NS00089122
smiles: Cl.COc1ccc(CCN(C)CCCCl)cc1OC
inchi:
InChI=1/C14H22ClNO2.ClH/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3;/h5-6,11H,4,7-10H2,1-3H3;1H


name: (R)-(phenylacetyl)ammonium (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate
cas: 36775-31-2
formula: C10H16O4S.C8H9NO2
inchikey: OPQQZAIKOHWQML-DLGLCQKISA-N
norman_susdat_id: NS00089132
smiles: CC1(C)C2CC[C@@]1(CS(=O)(=O)[O-])C(=O)C2.[NH3+]C(=O)Cc3ccccc3
inchi:
InChI=1/C10H16O4S.C8H9NO/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;9-8(10)6-7-4-2-1-3-5-7/h7H,3-6H2,1-2H3,(H,12,13,14);1-5H,6H2,(H2,9,10)


name: (R)-12-hydroxyoleyl oleate
cas: 36781-74-5
formula: C36H68O3
inchikey: QSALBORXZAWWQU-FHSFBDLLSA-N
norman_susdat_id: NS00057554
pubchem_cid: 20837957
smiles: O=C(OCCCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H68O3/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-25-29-33-36(38)39-34-30-26-23-20-17-18-21-24-28-32-35(37)31-27-8-6-4-2/h13-14,24,28,35,37H,3-12,15-23,25-27,29-34H2,1-2H3


name: Oleyl (R)-12-hydroxyoleate
cas: 36781-75-6
formula: C36H68O3
inchikey: VUEAHKMMTNDIEH-FHSFBDLLSA-N
norman_susdat_id: NS00057969
pubchem_cid: 20837958
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C36H68O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h13-14,24,28,35,37H,3-12,15-23,25-27,29-34H2,1-2H3


name: (R)-12-hydroxyoleyl (R)-12-hydroxyoleate
cas: 36781-76-7
formula: C36H68O4
inchikey: OGLXDMGSSDJNEC-TXJXGNCTSA-N
norman_susdat_id: NS00057970
pubchem_cid: 20837959
smiles: O=C(OCCCCCCCCC=CCC(O)CCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C36H68O4/c1-3-5-7-22-28-34(37)30-24-18-14-10-9-13-17-21-27-33-40-36(39)32-26-20-16-12-11-15-19-25-31-35(38)29-23-8-6-4-2/h18-19,24-25,34-35,37-38H,3-17,20-23,26-33H2,1-2H3


name: (Z)-12-hydroxyoctadec-9-enyl [R-(Z)]-docos-13-enoate
cas: 36781-77-8
dtxsid: DTXSID90958001
formula: C40H76O3
inchikey: XDWMAYJDCHDUGV-UHFFFAOYSA-N
norman_susdat_id: NS00057605
pubchem_cid: NA
smiles: O=C(OCCCCCCCCC=CCC(O)CCCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H76O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-33-37-40(42)43-38-34-30-27-24-21-22-25-28-32-36-39(41)35-31-8-6-4-2/h13-14,28,32,39,41H,3-12,15-27,29-31,33-38H2,1-2H3


name: 12-hydroxyoctadecyl docosanoate
cas: 36781-83-6
dtxsid: DTXSID70884677
formula: C40H80O3
inchikey: BPIZTXQQUVZKFT-UHFFFAOYSA-N
norman_susdat_id: NS00059048
pubchem_cid: 169813
smiles: O=C(OCCCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H80O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-33-37-40(42)43-38-34-30-27-24-21-22-25-28-32-36-39(41)35-31-8-6-4-2/h39,41H,3-38H2,1-2H3


name: 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-
cas: 36783-03-6
chemspiderid: 148504
dtxsid: DTXSID8067999
formula: C12H19N1O3S1
inchikey: IBSUMVZKDLDAEK-UHFFFAOYSA-N
norman_susdat_id: NS00030089
pubchem_cid: 169814
smiles: CCN(CCCS(=O)(=O)O)c1cccc(C)c1
inchi:
InChI=1S/C12H19NO3S/c1-3-13(8-5-9-17(14,15)16)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,14,15,16)


name: Floctafenic acid
cas: 36783-34-3
chemspiderid: 34438
dtxsid: DTXSID60190254
formula: C17H11F3N2O2
inchikey: RGUIKQRAZCQMBM-UHFFFAOYSA-N
norman_susdat_id: NS00009072
pubchem_cid: 37541
smiles: OC(=O)c1ccccc1Nc1ccnc2c(cccc12)C(F)(F)F
inchi:
InChI=1S/C17H11F3N2O2/c18-17(19,20)12-6-3-5-10-14(8-9-21-15(10)12)22-13-7-2-1-4-11(13)16(23)24/h1-9H,(H,21,22)(H,23,24)


cas: 36788-39-3
chemspiderid: 148505
dtxsid: DTXSID80894702
formula: C18H39O9P1
inchikey: UWZDFCRDAZFRFU-UHFFFAOYSA-N
norman_susdat_id: NS00004423
pubchem_cid: 169815
smiles: CC(COCCCO)OP(OCCOCCO)OCCOC(C)(C)C(C)(C)O
name:
3,6,8,11-Tetraoxa-7-phosphatridecane-1,13-diol, 7-[2-(2-hydroxymethylethoxy)methylethoxy]tetramethyl-

inchi:
InChI=1S/C18H39O9P/c1-16(15-23-9-6-7-19)27-28(25-13-11-22-10-8-20)26-14-12-24-18(4,5)17(2,3)21/h16,19-21H,6-15H2,1-5H3


cas: 36790-31-5
formula: C28H33N6S.CH3O4S
inchikey: RIYYESAGBCPJQN-UHFFFAOYSA-M
norman_susdat_id: NS00089149
smiles: [O-]S(=O)(=O)OC.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4
name:
Benzyl[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]dimethylammonium methyl sulphate

inchi:
InChI=1/C28H33N6S.CH4O4S/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5-6(2,3)4/h6-17,20H,5,18-19,21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Ribavirin
cas: 36791-04-5
chebiid: CHEBI:63580
chemspiderid: 34439
dtxsid: DTXSID8023557
formula: C8H12N4O5
inchikey: IWUCXVSUMQZMFG-AFCXAGJDSA-N
norman_susdat_id: NS00009126
pubchem_cid: 37542
smiles: NC(=O)c1ncn(n1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1


name: 1-deoxy-1-(methylamino)-D-glucitol 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
cas: 36798-16-0
formula: C19H16ClNO4.C7H17NO5
inchikey: SJJDQBHMURCZDA-WZTVWXICSA-N
norman_susdat_id: NS00088964
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
inchi:
InChI=1/C19H16ClNO4.C7H17NO5/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-9H,10H2,1-2H3,(H,22,23);4-13H,2-3H2,1H3


name: Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
cas: 3681-73-0
chemspiderid: 9421385
dtxsid: DTXSID7074404
formula: C26H48O2
inchikey: CRFQQFDSKWNZIZ-YYDJUVGSSA-N
norman_susdat_id: NS00020807
pubchem_cid: 11246350
smiles: CCCCCCCCCCCCCCCC(=O)OCC=C(/C)CCC=C(C)C
inchi:
InChI=1S/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h19,22H,5-18,20-21,23H2,1-4H3/b25-22+


name: Vitexin
cas: 3681-93-4
chebiid: CHEBI:16954
chemspiderid: 4444098
dtxsid: DTXSID90190287
formula: C21H20O10
inchikey: SGEWCQFRYRRZDC-VPRICQMDSA-N
norman_susdat_id: NS00018314
pubchem_cid: 5280441
smiles: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O
inchi:
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1


name: Puerarin
cas: 3681-99-0
chebiid: CHEBI:8633
chemspiderid: 16736534
formula: C21H20O9
inchikey: HKEAFJYKMMKDOR-VPRICQMDSA-N
norman_susdat_id: NS00018338
pubchem_cid: 5281807
smiles: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O
inchi:
InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1


name: 4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (S)-
cas: 3682-03-9
dtxsid: DTXSID50958027
formula: C21H22O10
inchikey: QKPKGDDHOGIEOO-JVVVWQBKSA-N
norman_susdat_id: NS00097609
smiles: C1[C@H](OC2=CC(=C(C(=C2C1=O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C4=CC=C(C=C4)O
inchi:
InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1


cas: 3682-47-1
formula: C30H20N4O11S3
inchikey: AENRUBZPRNLXBI-UHFFFAOYSA-K
norman_susdat_id: NS00047919
pubchem_cid: 407699
name:
Trisodium 4-hydroxy-5-[(2-hydroxynaphthyl)azo]-3-[(4-sulphonatonaphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H20N4O11S3.3Na/c35-24-11-9-16-5-1-2-6-19(16)28(24)33-32-23-15-18(46(37,38)39)13-17-14-26(48(43,44)45)29(30(36)27(17)23)34-31-22-10-12-25(47(40,41)42)21-8-4-3-7-20(21)22;;;/h1-15,35-36H,(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=4C(C1)=CC(=C(N=NC5=CC=C(C=6C=CC=CC56)S(=O)(=O)[O-])C4O)S(=O)(=O)[O-]


name: Octadecyl 12-hydroxyoctadecanoate
cas: 36826-83-2
dtxsid: DTXSID60885653
formula: C36H72O3
inchikey: UGJBFCXWPCFKSG-UHFFFAOYSA-N
norman_susdat_id: NS00057443
pubchem_cid: 169819
smiles: O=C(OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C36H72O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-23-26-30-34-39-36(38)33-29-25-22-19-18-21-24-28-32-35(37)31-27-8-6-4-2/h35,37H,3-34H2,1-2H3


name: N,N-Bis(2-hydroxyethyl)-N'-stearylurea
cas: 36837-80-6
chemspiderid: 148511
dtxsid: DTXSID7068003
formula: C23H48N2O3
inchikey: PWTLFNDBSYUVAY-UHFFFAOYSA-N
norman_susdat_id: NS00030108
pubchem_cid: 169821
smiles: CCCCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO
inchi:
InChI=1S/C23H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(28)25(19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)


name: Amidogen, 9H-carbazol-9-yl(2,4,6-trinitrophenyl)-
cas: 3685-38-9
formula: C18H11N5O6
inchikey: FRLJBDXFYGRMJG-UHFFFAOYSA-N
norman_susdat_id: NS00047921
pubchem_cid: 77263
smiles: O=N(=O)C=1C=C(C(NN2C=3C=CC=CC3C=4C=CC=CC42)=C(C1)N(=O)=O)N(=O)=O
inchi:
InChI=1/C18H11N5O6/c24-21(25)11-9-16(22(26)27)18(17(10-11)23(28)29)19-20-14-7-3-1-5-12(14)13-6-2-4-8-15(13)20/h1-10,19H


name: Tolycaine
cas: 3686-58-6
chebiid: CHEBI:135150
chemspiderid: 65111
dtxsid: DTXSID8057724
formula: C15H22N2O3
inchikey: UDKICLZCJWQTLS-UHFFFAOYSA-N
norman_susdat_id: NS00006338
pubchem_cid: 72137
smiles: CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC
inchi:
InChI=1S/C15H22N2O3/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4/h7-9H,5-6,10H2,1-4H3,(H,16,18)


name: cornecain
cas: 3686-68-8
chemspiderid: 18976
formula: C15H24N2O3
inchikey: SIVHMKRQTQHNIO-UHFFFAOYSA-N
norman_susdat_id: NS00003404
pubchem_cid: 20142
smiles: CCCNc1ccc(cc1)C(=O)OCC(O)CN(C)C
inchi:
InChI=1S/C15H24N2O3/c1-4-9-16-13-7-5-12(6-8-13)15(19)20-11-14(18)10-17(2)3/h5-8,14,16,18H,4,9-11H2,1-3H3


name: Enzacamene
cas: 36861-47-9
chebiid: CHEBI:135937
chemspiderid: 4939160
dtxsid: DTXSID8047896
formula: C18H22O1
inchikey: HEOCBCNFKCOKBX-SDNWHVSQSA-N
norman_susdat_id: NS00009412
pubchem_cid: 6434217
smiles: Cc1ccc(C=C2/C3CCC(C)(C2=O)C3(C)C)cc1
inchi:
InChI=1S/C18H22O/c1-12-5-7-13(8-6-12)11-14-15-9-10-18(4,16(14)19)17(15,2)3/h5-8,11,15H,9-10H2,1-4H3/b14-11+


name: 7-amino-4-hydroxy-3-[[3-methyl-4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid
cas: 36867-70-6
dtxsid: DTXSID40885419
formula: C23H19N5O7S2
inchikey: VUYYBPQNFOUNSL-UHFFFAOYSA-N
norman_susdat_id: NS00056651
pubchem_cid: 169824
smiles: O=S(=O)(O)C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)O)C=C2C)C=C1
inchi:
InChI=1/C23H19N5O7S2/c1-13-10-17(5-9-20(13)27-25-16-3-6-18(7-4-16)36(30,31)32)26-28-22-21(37(33,34)35)12-14-11-15(24)2-8-19(14)23(22)29/h2-12,29H,24H2,1H3,(H,30,31,32)(H,33,34,35)


name: (Z)-octadec-9-enyl oleate
cas: 3687-45-4
chebiid: CHEBI:75626
dtxsid: DTXSID20893537
formula: C36H68O2
inchikey: BARWIPMJPCRCTP-CLFAGFIQSA-N
norman_susdat_id: NS00048578
pubchem_cid: 5364672
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3


name: 9-Octadecenoic acid (9Z)-, decyl ester
cas: 3687-46-5
chebiid: CHEBI:75620
chemspiderid: 4515604
dtxsid: DTXSID1029259
formula: C28H54O2
inchikey: SASYSVUEVMOWPL-NXVVXOECSA-N
norman_susdat_id: NS00006780
pubchem_cid: 5363234
smiles: CCCCCCCCCCOC(=O)CCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-


name: 3H-Indol-3-one, 5-bromo-2-(9-chloro-3-oxonaphtho[1,2-b]thien-2(3H)-ylidene)-1,2-dihydro-
cas: 3687-67-0
chemspiderid: 4514399
dtxsid: DTXSID2063135
formula: C20H9Br1Cl1N1O2S1
inchikey: MJURASYNFLAELQ-UHFFFAOYSA-N
norman_susdat_id: NS00020642
pubchem_cid: 6819761
smiles: Clc1cccc2c1c1c(cc2)C(=O)/C(=C/2Nc3c(cc(Br)cc3)C2=O)/S1
inchi:
InChI=1S/C20H9BrClNO2S/c21-10-5-7-14-12(8-10)17(24)16(23-14)20-18(25)11-6-4-9-2-1-3-13(22)15(9)19(11)26-20/h1-8,23H/b20-16+


cas: 3687-80-7
dtxsid: DTXSID60889474
formula: C39H30N6O13S3
inchikey: HQASNQAHAQNZOY-UHFFFAOYSA-K
norman_susdat_id: NS00047898
pubchem_cid: 135853550
name:
Trisodium 4-[[6-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C39H30N6O13S3.3Na/c1-58-31-9-5-2-6-21(31)20-40-44-35-33(60(52,53)54)18-22-16-24(10-12-26(22)37(35)46)41-39(48)42-25-11-13-27-23(17-25)19-34(61(55,56)57)36(38(27)47)45-43-30-14-15-32(59(49,50)51)29-8-4-3-7-28(29)30;;;/h2-19,46-47H,20H2,1H3,(H2,41,42,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=5C=CC=6C(C5)=CC(=C(N=NCC=7C=CC=CC7OC)C6O)S(=O)(=O)[O-]


name: Sodium 4-amino-5-hydroxy-6-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-1-sulphonate
cas: 3687-83-0
formula: C16H13N5O9S
inchikey: YMFGKYYZIZXBLU-UHFFFAOYSA-M
norman_susdat_id: NS00048579
pubchem_cid: 135666560
smiles: [Na+].O=[N+]([O-])C1=CC(N=NC=2C=CC=3C(=C(N)C=CC3S(=O)(=O)[O-])C2O)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H11N5O9S.Na/c17-9-2-4-13(31(28,29)30)8-1-3-10(16(23)14(8)9)18-19-11-5-7(20(24)25)6-12(15(11)22)21(26)27;/h1-6,22-23H,17H2,(H,28,29,30);/q;+1/p-1


name: Dinonyldiphenylamine
cas: 36878-20-3
chemspiderid: 14599670
dtxsid: DTXSID4027993
formula: C30H47N1
inchikey: NBJDNCGUUVZUIB-UHFFFAOYSA-N
norman_susdat_id: NS00002607
pubchem_cid: 22168299
smiles: CCCCCCCCCc1cccc(Nc2cccc(CCCCCCCCC)c2)c1
inchi:
InChI=1S/C30H47N/c1-3-5-7-9-11-13-15-19-27-21-17-23-29(25-27)31-30-24-18-22-28(26-30)20-16-14-12-10-8-6-4-2/h17-18,21-26,31H,3-16,19-20H2,1-2H3


name: 5-cyclohexyl-2,4-dimethoxy-<U+03B3>-oxobenzenebutyric acid
cas: 36879-87-5
dtxsid: DTXSID00958077
formula: C18H24O5
inchikey: YOCBPCQZXRQJFU-UHFFFAOYSA-N
norman_susdat_id: NS00056696
pubchem_cid: 160358
smiles: O=C(O)CCC(=O)C=1C=C(C(OC)=CC1OC)C2CCCCC2
inchi:
InChI=1/C18H24O5/c1-22-16-11-17(23-2)14(15(19)8-9-18(20)21)10-13(16)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3,(H,20,21)


name: Bis[N,N,N',N'-tetramethyl-3-(10H-phenothiazin-10-yl)propane-1,3-diamine] fumarate
cas: 3688-62-8
formula: C19H25N3S
inchikey: SVVJSUKDBHMRKO-WXXKFALUSA-N
norman_susdat_id: NS00048594
pubchem_cid: NA
inchi:
InChI=1/2C19H25N3S.C4H4O4/c2*1-20(2)14-13-19(21(3)4)22-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)22;5-3(6)1-2-4(7)8/h2*5-12,19H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)

smiles:
O=C(O)C=CC(=O)O.S1C=2C=CC=CC2N(C=3C=CC=CC13)C(N(C)C)CCN(C)C.S1C=2C=CC=CC2N(C=3C=CC=CC13)C(N(C)C)CCN(C)C


name: Codeine N-oxide
cas: 3688-65-1
chebiid: CHEBI:175049
chemspiderid: 4514400
dtxsid: DTXSID00190359
formula: C18H21N1O4
inchikey: BDLSDHWCOJPHIE-KFUGMXNISA-N
norman_susdat_id: NS00030113
pubchem_cid: 5359929
smiles: COc1c2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5Cc(cc1)c2[C@@]34CC[N@+]5(C)[O-]
inchi:
InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1


name: Nicocodine [INN:BAN:DCF]
cas: 3688-66-2
chebiid: CHEBI:135650
chemspiderid: 4576411
dtxsid: DTXSID10190360
formula: C24H24N2O4
inchikey: RYBGRHAWFUVMST-MJFIPZRTSA-N
norman_susdat_id: NS00003908
pubchem_cid: 5463872
smiles: COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1S/C24H24N2O4/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3/t16-,17+,19-,22-,24-/m0/s1


name: Disodium 4-[(o-arsonophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate
cas: 3688-92-4
formula: C16H13AsN2O10S2.2Na
inchikey: DCSRPHQBFSYJNN-UHFFFAOYSA-L
norman_susdat_id: NS00083204
smiles: [Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 1-Propanol, 3-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)thio]-
cas: 36880-07-6
dtxsid: DTXSID7073488
formula: C13H11F17OS
inchikey: MQUNHCVXSGLKTJ-UHFFFAOYSA-N
norman_susdat_id: NS00111268
smiles: OCCCSCCC(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/C13H11F17OS/c14-6(15,2-5-32-4-1-3-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h31H,1-5H2


name: Sodium 2-(diphenylphosphine)benzoate
cas: 36882-17-4
formula: C19H15O2P.Na
inchikey: LOCKDMJLLDIFLY-UHFFFAOYSA-M
norman_susdat_id: NS00088505
smiles: [Na]OC(=O)c1ccccc1P(c2ccccc2)c3ccccc3
inchi:
InChI=1/C19H15O2P.Na/c20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14H,(H,20,21);/q;+1/p-1


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dimethoxy-
cas: 36886-76-7
chemspiderid: 148521
dtxsid: DTXSID2068006
formula: C22H16O5
inchikey: GRIKUIPJBHJPPN-UHFFFAOYSA-N
norman_susdat_id: NS00030114
pubchem_cid: 169832
smiles: COc1ccc2c(Oc3cc(OC)ccc3C32OC(=O)c2ccccc32)c1
inchi:
InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3


name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-
cas: 36888-99-0
chemspiderid: 4590022
dtxsid: DTXSID7068007
formula: C16H9N5O6
inchikey: JSBMGPVJAADXIZ-UHFFFAOYSA-N
norman_susdat_id: NS00005431
pubchem_cid: 5488898
smiles: O=C1NC(=O)C(C(=O)N1)=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2ccccc12
inchi:
InChI=1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4,17H,(H2,18,19,22,23,26)(H2,20,21,24,25,27)


name: 2-{[(4-Chloro-3-methoxypyridin-2-yl)methyl]sulfanyl}-6-(difluoromethoxy)-1H-benzimidazole
cas: 368890-20-4
chemspiderid: 8123243
dtxsid: DTXSID80433216
formula: C15H12Cl1F2N3O2S1
inchikey: SEHIARBDRGKABK-UHFFFAOYSA-N
norman_susdat_id: NS00008996
pubchem_cid: 9947631
smiles: COc1c(Cl)ccnc1CSc1nc2ccc(OC(F)F)cc2[nH]1
inchi:
InChI=1S/C15H12ClF2N3O2S/c1-22-13-9(16)4-5-19-12(13)7-24-15-20-10-3-2-8(23-14(17)18)6-11(10)21-15/h2-6,14H,7H2,1H3,(H,20,21)


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxy-2-methylphenyl)-
cas: 3689-20-1
chemspiderid: 69694
dtxsid: DTXSID2063137
formula: C19H17N1O3
inchikey: BPLTYDPIHLNUAR-UHFFFAOYSA-N
norman_susdat_id: NS00021138
pubchem_cid: 77272
smiles: COc1cc(C)c(NC(=O)c2c(O)cc3ccccc3c2)cc1
inchi:
InChI=1S/C19H17NO3/c1-12-9-15(23-2)7-8-17(12)20-19(22)16-10-13-5-3-4-6-14(13)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)


name: Oxomemazine
cas: 3689-50-7
chebiid: CHEBI:135408
chemspiderid: 18281
dtxsid: DTXSID5023405
formula: C18H22N2O2S1
inchikey: QTQPVLDZQVPLGV-UHFFFAOYSA-N
norman_susdat_id: NS00002586
pubchem_cid: 19396
smiles: CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc12
inchi:
InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3


name: Penethamate
cas: 3689-73-4
chemspiderid: 64823
dtxsid: DTXSID20190371
formula: C22H31N3O4S1
inchikey: AFKRZUUZFWTBCC-WSTZPKSXSA-N
norman_susdat_id: NS00005742
pubchem_cid: 71797
smiles: CCN(CC)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)Cc1ccccc1)C2=O
inchi:
InChI=1S/C22H31N3O4S/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26)/t17-,18+,20-/m1/s1


name: Labetalol
cas: 36894-69-6
chebiid: CHEBI:167638
chemspiderid: 3734
dtxsid: DTXSID2023191
formula: C19H24N2O3
inchikey: SGUAFYQXFOLMHL-UHFFFAOYSA-N
norman_susdat_id: NS00008578
pubchem_cid: 3869
smiles: CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
inchi:
InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)


cas: 36897-88-8
chemspiderid: 140742
dtxsid: DTXSID7068009
formula: C24H23N3O8S2
inchikey: SEXIHYPFEOARHF-UHFFFAOYSA-N
norman_susdat_id: NS00030116
pubchem_cid: 160111
smiles: Cc1cc(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)O)cc(c1C)S(=O)(=O)NCCO
name:
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-

inchi:
InChI=1S/C24H23N3O8S2/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)


name: Cloflucarban
cas: 369-77-7
chebiid: CHEBI:135477
chemspiderid: 9337
dtxsid: DTXSID0048684
formula: C14H9Cl2F3N2O1
inchikey: ZFSXZJXLKAJIGS-UHFFFAOYSA-N
norman_susdat_id: NS00013539
pubchem_cid: 9719
smiles: FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1Cl
inchi:
InChI=1S/C14H9Cl2F3N2O/c15-8-1-3-9(4-2-8)20-13(22)21-10-5-6-12(16)11(7-10)14(17,18)19/h1-7H,(H2,20,21,22)


name: Aminopropylon
cas: 3690-04-8
chebiid: CHEBI:135280
chemspiderid: 96421
dtxsid: DTXSID20874826
formula: C16H22N4O2
inchikey: UQNCVOXEVRELFR-UHFFFAOYSA-N
norman_susdat_id: NS00040603
pubchem_cid: 107150
smiles: CC(N(C)C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
inchi:
InChI=1S/C16H22N4O2/c1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h6-10,12H,1-5H3,(H,17,21)


name: Sodium 3-[ethyl[3-methyl-4-[[4-(phenylazo)phenyl]azo]phenyl]amino]propanesulphonate
cas: 36904-62-8
dtxsid: DTXSID1068011
formula: C24H27N5O3S
inchikey: VKFNRTIHBARAEG-UHFFFAOYSA-M
norman_susdat_id: NS00056596
pubchem_cid: 169838
smiles: [Na+].O=S(=O)([O-])CCCN(C1=CC=C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)C(=C1)C)CC
inchi:
InChI=1/C24H27N5O3S.Na/c1-3-29(16-7-17-33(30,31)32)23-14-15-24(19(2)18-23)28-27-22-12-10-21(11-13-22)26-25-20-8-5-4-6-9-20;/h4-6,8-15,18H,3,7,16-17H2,1-2H3,(H,30,31,32);/q;+1/p-1


name: Sodium 7-isopropyl-1,4-dimethylazulenesulphonate
cas: 36905-16-5
formula: C15H20O3S
inchikey: IJMSROBVXKIESH-UHFFFAOYSA-M
norman_susdat_id: NS00056697
pubchem_cid: 53438044
smiles: [Na+].O=S(=O)([O-])C1(C2=CC(=CC=C(C2=CC1)C)C(C)C)C
inchi:
InChI=1/C15H20O3S.Na/c1-10(2)12-6-5-11(3)13-7-8-15(4,14(13)9-12)19(16,17)18;/h5-7,9-10H,8H2,1-4H3,(H,16,17,18);/q;+1/p-1


name: delta-Guaiene
cas: 3691-11-0
chebiid: CHEBI:63447
chemspiderid: 85080
dtxsid: DTXSID30190387
formula: C15H24
inchikey: YHAJBLWYOIUHHM-GUTXKFCHSA-N
norman_susdat_id: NS00114008
pubchem_cid: 94275
smiles: C[C@H]1CCC2=C(C)CC[C@H](C[C@@H]12)C(C)=C
inchi:
InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15-/m0/s1


name: Buzepide
cas: 3691-21-2
chebiid: CHEBI:157619
chemspiderid: 69696
dtxsid: DTXSID90190388
formula: C22H28N2O1
inchikey: SLJXUJZUTPFXRJ-UHFFFAOYSA-N
norman_susdat_id: NS00002135
pubchem_cid: 77274
smiles: NC(=O)C(CCN1CCCCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H28N2O/c23-21(25)22(19-11-5-3-6-12-19,20-13-7-4-8-14-20)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25)


name: Chlorophacinone
cas: 3691-35-8
chebiid: CHEBI:81796
chemspiderid: 18286
dtxsid: DTXSID2032348
formula: C23H15Cl1O3
inchikey: UDHXJZHVNHGCEC-UHFFFAOYSA-N
norman_susdat_id: NS00005218
pubchem_cid: 19402
smiles: Clc1ccc(cc1)C(C(=O)C1C(=O)c2ccccc2C1=O)c1ccccc1
inchi:
InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H


name: Sodium N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)sulphanilamidate
cas: 3691-68-7
formula: C12H13BrN4O2S.Na
inchikey: BYTJZIVWFMOARV-UHFFFAOYSA-N
norman_susdat_id: NS00082945
smiles: Cc1nc(nc(C)c1Br)N([Na])S(=O)(=O)c2ccc(N)cc2
inchi:
InChI=1/C12H12BrN4O2S.Na/c1-7-11(13)8(2)16-12(15-7)17-20(18,19)10-5-3-9(14)4-6-10;/h3-6H,14H2,1-2H3;/q-1;+1/rC12H12BrN4NaO2S/c1-7-11(13)8(2)16-12(15-7)17(18)21(19,20)10-5-3-9(14)4-6-10/h3-6H,14H2,1-2H3


name: Glucurono-1,4-lactone isonicotinoylhydrazone
cas: 3691-74-5
formula: C12H13N3O6
inchikey: RIRSFEMAEFVYKI-UHFFFAOYSA-N
norman_susdat_id: NS00047270
pubchem_cid: NA
smiles: O=C(NN=C1OC2C(O)C(O)OC2C1O)C=3C=CN=CC3
inchi:
InChI=1/C12H13N3O6/c16-6-8-9(7(17)12(19)21-8)20-11(6)15-14-10(18)5-1-3-13-4-2-5/h1-4,6-9,12,16-17,19H,(H,14,18)


name: Benzethidine [INN:BAN:DCF]
cas: 3691-78-9
dtxsid: DTXSID50190389
formula: C23H29NO3
inchikey: UVTBZAWTRVBTMK-UHFFFAOYSA-N
norman_susdat_id: NS00067968
smiles: CCOC(=O)C1(CCN(CCOCC2=CC=CC=C2)CC1)C1=CC=CC=C1
inchi:
InChI=1S/C23H29NO3/c1-2-27-22(25)23(21-11-7-4-8-12-21)13-15-24(16-14-23)17-18-26-19-20-9-5-3-6-10-20/h3-12H,2,13-19H2,1H3


name: 3-Dibenzofurancarboxamide, N-(2-ethoxyphenyl)-2-hydroxy-
cas: 3691-93-8
chemspiderid: 69698
dtxsid: DTXSID7063138
formula: C21H17N1O4
inchikey: XXETVWBJQXPSKM-UHFFFAOYSA-N
norman_susdat_id: NS00030121
pubchem_cid: 77276
smiles: CCOc1c(NC(=O)c2cc3c(cc2O)c2c(o3)cccc2)cccc1
inchi:
InChI=1S/C21H17NO4/c1-2-25-19-10-6-4-8-16(19)22-21(24)15-12-20-14(11-17(15)23)13-7-3-5-9-18(13)26-20/h3-12,23H,2H2,1H3,(H,22,24)


name: Perfluorobutanesulfonic anhydride
cas: 36913-91-4
chemspiderid: 3488470
dtxsid: DTXSID40190398
formula: C8F18O5S2
inchikey: QKIHLPFZYGFMDK-UHFFFAOYSA-N
norman_susdat_id: NS00011325
pubchem_cid: 4281883
smiles: C(C(C(C(F)(F)[S](=O)(=O)O[S](C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)(F)F)(F)F)(F)(F)F
inchi:
InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22


name: (L-histidinato-N,O)dihydroxyaluminium
cas: 36915-28-3
formula: C6H10AlN3O4
inchikey: VISOTTZYKQFAOR-UHFFFAOYSA-K
norman_susdat_id: NS00088442
smiles: NC(Cc1c[nH]cn1)C(=O)O[Al](O)O
inchi:
InChI=1/C6H9N3O2.Al.2H2O/c7-5(6(10)11)1-4-2-8-3-9-4;;;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);;2*1H2/q;+3;;/p-3/rC6H10AlN3O4/c8-5(6(11)14-7(12)13)1-4-2-9-3-10-4/h2-3,5,12-13H,1,8H2,(H,9,10)


name: Hexadecanoic acid, 2-sulfoethyl ester, sodium salt
cas: 36915-65-8
chemspiderid: 148526
dtxsid: DTXSID4042040
formula: C18H36O5S1
inchikey: KWFZLOFTBBTQIE-UHFFFAOYSA-M
norman_susdat_id: NS00030119
pubchem_cid: 23688965
smiles: [Na+].CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-]
inchi:
InChI=1S/C18H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)23-16-17-24(20,21)22/h2-17H2,1H3,(H,20,21,22)


name: N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(3-hydroxynaphthalene-2-carboxamide)
cas: 3692-05-5
dtxsid: DTXSID2063139
formula: C36H28N2O4
inchikey: DXHOYLITXFGHBW-UHFFFAOYSA-N
norman_susdat_id: NS00048666
pubchem_cid: 77277
smiles: O=C(NC1=CC=C(C=C1C)C=2C=CC(NC(=O)C3=CC=4C=CC=CC4C=C3O)=C(C2)C)C5=CC=6C=CC=CC6C=C5O
inchi:
InChI=1/C36H28N2O4/c1-21-15-27(11-13-31(21)37-35(41)29-17-23-7-3-5-9-25(23)19-33(29)39)28-12-14-32(22(2)16-28)38-36(42)30-18-24-8-4-6-10-26(24)20-34(30)40/h3-20,39-40H,1-2H3,(H,37,41)(H,38,42)


name: 3-hydroxy-N-(2-hydroxyethyl)-4-(morpholinomethyl)naphthalene-2-carboxamide hydrochloride
cas: 3692-61-3
dtxsid: DTXSID20190412
formula: C18H22N2O4
inchikey: SWNAMYJIPDVWIV-UHFFFAOYSA-N
norman_susdat_id: NS00047990
pubchem_cid: 3014228
smiles: Cl.O=C(NCCO)C1=CC=2C=CC=CC2C(=C1O)CN3CCOCC3
inchi:
InChI=1/C18H22N2O4.ClH/c21-8-5-19-18(23)15-11-13-3-1-2-4-14(13)16(17(15)22)12-20-6-9-24-10-7-20;/h1-4,11,21-22H,5-10,12H2,(H,19,23);1H


name: Cefoxazole
cas: 36920-48-6
chemspiderid: 59214
dtxsid: DTXSID40190414
formula: C21H18Cl1N3O7S1
inchikey: OCLRGULJISNUQS-OXQOHEQNSA-N
norman_susdat_id: NS00011589
pubchem_cid: 65798
smiles: Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
inchi:
InChI=1S/C21H18ClN3O7S/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30)/t16-,20-/m1/s1


name: 1,5-dihydropyrimido[5,4-d]pyrimidine-2,4,6,8(3H,7H)-tetrone, disodium salt
cas: 36926-29-1
formula: C6H4N4O4.2Na
inchikey: XBAMBBHNQXIYOI-UHFFFAOYSA-N
norman_susdat_id: NS00088507
smiles: [Na+].[Na+].O=C1NC(=O)C2=C(N1)C(=O)NC(=O)N2
inchi:
InChI=1/C6H4N4O4.2Na/c11-3-1-2(8-6(14)9-3)4(12)10-5(13)7-1;;/h(H2,7,10,12,13)(H2,8,9,11,14);;/q;2*+1


name: 4,8-Dichloro-2,6-dipiperidinopyrimido(5,4-d)pyrimidine
cas: 36926-31-5
chemspiderid: 21230046
dtxsid: DTXSID80190418
formula: C16H20Cl2N6
inchikey: WQLZHZNMYLIOEC-UHFFFAOYSA-N
norman_susdat_id: NS00030122
pubchem_cid: 25085731
smiles: Clc1nc(nc2c1nc(nc2Cl)N1CCCCC1)N1CCCCC1
inchi:
InChI=1S/C16H20Cl2N6/c17-13-12-11(19-15(21-13)23-7-3-1-4-8-23)14(18)22-16(20-12)24-9-5-2-6-10-24/h1-10H2


name: ar,ar'-Dimethyl 4,4'-carbonyldiphthalate
cas: 36928-64-0
chemspiderid: 2341679
dtxsid: DTXSID1074040
formula: C19H14O9
inchikey: ZCDIDXLJWKRUGC-UHFFFAOYSA-N
norman_susdat_id: NS00030123
pubchem_cid: 3084645
smiles: COC(=O)c1ccc(cc1C(=O)O)C(=O)c1cc(C(=O)O)c(cc1)C(=O)OC
inchi:
InChI=1S/C19H14O9/c1-27-18(25)11-5-3-9(7-13(11)16(21)22)15(20)10-4-6-12(19(26)28-2)14(8-10)17(23)24/h3-8H,1-2H3,(H,21,22)(H,23,24)


name: Sodium (7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) succinate
cas: 3693-18-3
formula: C19H15ClN2O5.Na
inchikey: HLXIPDOKNUEODM-UHFFFAOYSA-M
norman_susdat_id: NS00082931
smiles: [Na+].[O-]C(=O)CCC(=O)OC1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
inchi:
InChI=1/C19H15ClN2O5.Na/c20-12-6-7-14-13(10-12)17(11-4-2-1-3-5-11)22-19(18(26)21-14)27-16(25)9-8-15(23)24;/h1-7,10,19H,8-9H2,(H,21,26)(H,23,24);/q;+1/p-1


name: Fluclorolone acetonide
cas: 3693-39-8
chebiid: CHEBI:135787
formula: C24H29Cl2FO5
inchikey: NJNWEGFJCGYWQT-VSXGLTOVSA-N
norman_susdat_id: NS00047954
pubchem_cid: 20054914
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(Cl)C32Cl)(C)C)C
inchi:
InChI=1/C24H29Cl2FO5/c1-20(2)31-19-9-13-14-8-16(27)15-7-12(29)5-6-21(15,3)23(14,26)17(25)10-22(13,4)24(19,32-20)18(30)11-28/h5-7,13-14,16-17,19,28H,8-11H2,1-4H3


name: 1,5-I-Aedans
cas: 36930-63-9
chebiid: CHEBI:58984
chemspiderid: 82727
dtxsid: DTXSID10190421
formula: C14H15I1N2O4S1
inchikey: ZMERMCRYYFRELX-UHFFFAOYSA-N
norman_susdat_id: NS00030124
pubchem_cid: 91621
smiles: OS(=O)(=O)c1c2cccc(NCCNC(=O)CI)c2ccc1
inchi:
InChI=1S/C14H15IN2O4S/c15-9-14(18)17-8-7-16-12-5-1-4-11-10(12)3-2-6-13(11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)


name: 1,8-I-Aedans
cas: 36930-64-0
chemspiderid: 84139
dtxsid: DTXSID70190422
formula: C14H15I1N2O4S1
inchikey: ZDIHEEHLFMMPKM-UHFFFAOYSA-N
norman_susdat_id: NS00030125
pubchem_cid: 93196
smiles: OS(=O)(=O)c1cccc2c1c(NCCNC(=O)CI)ccc2
inchi:
InChI=1S/C14H15IN2O4S/c15-9-13(18)17-8-7-16-11-5-1-3-10-4-2-6-12(14(10)11)22(19,20)21/h1-6,16H,7-9H2,(H,17,18)(H,19,20,21)


name: N'-[3-amino-2-hydroxy-5-(propan-2-ylsulfanyl)pentanoyl]-3-chlorobenzohydrazide
cas: 369358-07-6
formula: C15H22ClN3O3S
inchikey: BYBVYIPUGPZRSX-OLZOCXBDSA-N
norman_susdat_id: NS00068775
pubchem_cid: 448285
smiles: CC(C)SCC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1
inchi:
InChI=1S/C15H22ClN3O3S/c1-9(2)23-7-6-12(17)13(20)15(22)19-18-14(21)10-4-3-5-11(16)8-10/h3-5,8-9,12-13,20H,6-7,17H2,1-2H3,(H,18,21)(H,19,22)/t12-,13+/m1/s1


cas: 36936-37-5
dtxsid: DTXSID40885656
formula: C26H41N5O2
inchikey: YHUMHXRJQYDDAR-UHFFFAOYSA-N
norman_susdat_id: NS00056698
pubchem_cid: 162232
smiles: O=C(C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CC(O)C[N+](C)(C)C)C=C1)C[N+](C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F
name:
[p-[[4-[ethyl[2-hydroxy-3-(trimethylammonio)propyl]amino]-o-tolyl]azo]-ß-oxophenethyl]trimethylammonium bis[tetrafluoroborate(1-)]

inchi:
InChI=1/C26H41N5O2.2BF4/c1-9-29(17-24(32)18-30(3,4)5)23-14-15-25(20(2)16-23)28-27-22-12-10-21(11-13-22)26(33)19-31(6,7)8;2*2-1(3,4)5/h10-16,24,32H,9,17-19H2,1-8H3;;/q+2;2*-1


cas: 36936-60-4
formula: C6H15NO3
norman_susdat_id: NS00101417
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.''-(nitrilotri-2,1-ethanediyl)tris[.omega.-hydroxy-


name: N,N''-hexane-1,6-diylbis[N'-(2-hydroxyethyl)-N'-methylurea]
cas: 36938-15-5
formula: C14H30N4O4
inchikey: AKNPWFZCZXNMDM-UHFFFAOYSA-N
norman_susdat_id: NS00057512
pubchem_cid: 56842804
smiles: O=C(NCCCCCCNC(=O)N(C)CCO)N(C)CCO
inchi:
InChI=1/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22)


name: Sodium 2-hydroxy-3-sulphonatopropyl stearate
cas: 3694-95-9
dtxsid: DTXSID90958127
formula: C21H42O6S
inchikey: WVDWRWXSDUZGLV-UHFFFAOYSA-M
norman_susdat_id: NS00047271
pubchem_cid: NA
smiles: [Na+].O=C(OCC(O)CS(=O)(=O)[O-])CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26;/h20,22H,2-19H2,1H3,(H,24,25,26);/q;+1/p-1


name: Adenosine cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen succinate)
cas: 36940-87-1
dtxsid: DTXSID50958128
formula: C14H16N5O9P
inchikey: QNPSLGPIZRJDAN-UHFFFAOYSA-N
norman_susdat_id: NS00057513
pubchem_cid: 4277600
smiles: O=C(O)CCC(=O)OC1C(OC2COP(=O)(O)OC21)N3C=NC=4C(=NC=NC43)N
inchi:
InChI=1/C14H16N5O9P/c15-12-9-13(17-4-16-12)19(5-18-9)14-11(27-8(22)2-1-7(20)21)10-6(26-14)3-25-29(23,24)28-10/h4-6,10-11,14H,1-3H2,(H,20,21)(H,23,24)(H2,15,16,17)


name: 2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]naphthalene-1-sulphonic acid
cas: 36942-58-2
formula: C20H16N4O4S
inchikey: HYXZLBHMOJIWAB-UHFFFAOYSA-N
norman_susdat_id: NS00057533
pubchem_cid: 3015876
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)O)C=4C=CC=CC4
inchi:
InChI=1/C20H16N4O4S/c1-13-18(20(25)24(23-13)15-8-3-2-4-9-15)22-21-17-12-11-14-7-5-6-10-16(14)19(17)29(26,27)28/h2-12,18H,1H3,(H,26,27,28)


name: 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
cas: 36968-27-1
dtxsid: DTXSID6068014
formula: C25H20N4O4
inchikey: HULNYTPFPARJMG-UHFFFAOYSA-N
norman_susdat_id: NS00056215
pubchem_cid: 162235
smiles: O=C(N)C1=CC=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OC)C=C1
inchi:
InChI=1/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)


name: Chlorhexidine dihydrochloride
cas: 3697-42-5
chebiid: CHEBI:31393
dtxsid: DTXSID7047144
formula: C22H32Cl4N10
inchikey: WJLVQTJZDCGNJN-UHFFFAOYSA-N
norman_susdat_id: NS00076394
smiles: Cl.Cl.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
inchi:
InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride
cas: 36986-04-6
formula: C21H21ClN5O2.Cl
inchikey: WJRAWLJYIVLGHB-UHFFFAOYSA-M
norman_susdat_id: NS00088546
smiles: [Cl-].[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H21ClN5O2.ClH/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;/h3-13,16H,2,14-15H2,1H3;1H/q+1;/p-1


name: Octadecyl 3-(tridecylthio)butyrate
cas: 36986-15-9
dtxsid: DTXSID70958160
formula: C35H70O2S
inchikey: TWFQLSGAOLZHLJ-UHFFFAOYSA-N
norman_susdat_id: NS00056254
pubchem_cid: 3015882
smiles: O=C(OCCCCCCCCCCCCCCCCCC)CC(SCCCCCCCCCCCCC)C
inchi:
InChI=1/C35H70O2S/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37-35(36)33-34(3)38-32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3


name: Octadecyl 2-methyl-3-(tridecylthio)propionate
cas: 36994-36-2
dtxsid: DTXSID70958165
formula: C35H70O2S
inchikey: CUFPJSAZAYYDAT-UHFFFAOYSA-N
norman_susdat_id: NS00056638
pubchem_cid: 3015883
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C(C)CSCCCCCCCCCCCCC
inchi:
InChI=1/C35H70O2S/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-37-35(36)34(3)33-38-32-30-28-26-24-22-15-13-11-9-7-5-2/h34H,4-33H2,1-3H3


name: N-(2-ethylhexyl)benzenesulphonamide
cas: 36997-29-2
dtxsid: DTXSID10958169
formula: C14H23NO2S
inchikey: ACSJOJBMNBXQTG-UHFFFAOYSA-N
norman_susdat_id: NS00057582
pubchem_cid: 2916182
smiles: O=S(=O)(NCC(CC)CCCC)C=1C=CC=CC1
inchi:
InChI=1/C14H23NO2S/c1-3-5-9-13(4-2)12-15-18(16,17)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3


name: Diethyl ((alpha,alpha,alpha-trifluoro-m-toluidino)methylene)malonate
cas: 370-35-4
chemspiderid: 87174
dtxsid: DTXSID00190490
formula: C15H16F3N1O4
inchikey: RFRRNORICIZXCP-UHFFFAOYSA-N
norman_susdat_id: NS00030145
pubchem_cid: 96560
smiles: CCOC(=O)C(=CNc1cc(ccc1)C(F)(F)F)C(=O)OCC
inchi:
InChI=1S/C15H16F3NO4/c1-3-22-13(20)12(14(21)23-4-2)9-19-11-7-5-6-10(8-11)15(16,17)18/h5-9,19H,3-4H2,1-2H3


name: N,N′-Bis[4-chloro-3-(trifluoromethyl)phenyl]urea
cas: 370-50-3
chebiid: CHEBI:59242
chemspiderid: 61106
dtxsid: DTXSID50891521
formula: C15H8Cl2F6N2O1
inchikey: ABOVRDBEJDIBMZ-UHFFFAOYSA-N
norman_susdat_id: NS00014525
pubchem_cid: 67788
smiles: C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl
inchi:
InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)


name: N,N-oxalylbis(cyclohexanone hydrazone)
cas: 370-81-0
dtxsid: DTXSID30861909
formula: C14H22N4O2
inchikey: DSRJIHMZAQEUJV-UHFFFAOYSA-N
norman_susdat_id: NS00041737
pubchem_cid: 9723
smiles: O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2
inchi:
InChI=1/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)


name: 3,5-Bis(((2-((2-(dodecylamino)ethyl)amino)ethyl)amino)methyl)-4-hydroxybenzoic acid
cas: 3700-60-5
chemspiderid: 69712
dtxsid: DTXSID80190498
formula: C41H80N6O3
inchikey: KGFIROGXAACOEV-UHFFFAOYSA-N
norman_susdat_id: NS00030139
pubchem_cid: 77292
smiles: CCCCCCCCCCCCNCCNCCNCc1cc(cc(CNCCNCCNCCCCCCCCCCCC)c1O)C(=O)O
inchi:
InChI=1S/C41H80N6O3/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-27-44-29-31-46-35-38-33-37(41(49)50)34-39(40(38)48)36-47-32-30-45-28-26-43-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,42-48H,3-32,35-36H2,1-2H3,(H,49,50)


name: Dimethyldioctadecylammonium bromide
cas: 3700-67-2
formula: C38H80N.Br
inchikey: PSLWZOIUBRXAQW-UHFFFAOYSA-M
norman_susdat_id: NS00083234
smiles: [Br-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1


name: Chromium(3+) palmitate
cas: 3700-69-4
formula: C16H32O2.1/3Cr
inchikey: CWPINIPJCSBFEB-UHFFFAOYSA-K
norman_susdat_id: NS00082513
smiles: [Cr+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C16H32O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3


name: 1,4-didodecyl sulphosuccinate
cas: 3700-71-8
dtxsid: DTXSID00958173
formula: C28H54O7S
inchikey: OMMMUWNDGQFGDV-UHFFFAOYSA-N
norman_susdat_id: NS00048667
pubchem_cid: 77905
smiles: O=C(OCCCCCCCCCCCC)CC(C(=O)OCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C28H54O7S/c1-3-5-7-9-11-13-15-17-19-21-23-34-27(29)25-26(36(31,32)33)28(30)35-24-22-20-18-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,31,32,33)


name: (4S-trans)-2,2-dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)
cas: 37002-45-2
formula: C21H26O8S2
inchikey: KPFDKWNWYAXRNJ-UHFFFAOYSA-N
norman_susdat_id: NS00088939
smiles: Cc1ccc(cc1)S(=O)(=O)OCC2OC(C)(C)OC2COS(=O)(=O)c3ccc(C)cc3
inchi:
InChI=1/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3


name: (+)-2,2-dimethyl-4,5-((diphenylphosphino)dimethyl)dioxolane
cas: 37002-48-5
formula: C31H32O2P2
inchikey: VCHDBLPQYJAQSQ-UHFFFAOYSA-N
norman_susdat_id: NS00057583
pubchem_cid: 122582
smiles: O1C(CP(C=2C=CC=CC2)C=3C=CC=CC3)C(OC1(C)C)CP(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C31H32O2P2/c1-31(2)32-29(23-34(25-15-7-3-8-16-25)26-17-9-4-10-18-26)30(33-31)24-35(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-30H,23-24H2,1-2H3


cas: 3701-40-4
dtxsid: DTXSID20889475
formula: C34H26N4O8S2
inchikey: CCOPUGSPAPWFFC-UHFFFAOYSA-L
norman_susdat_id: NS00047283
pubchem_cid: NA
name:
Disodium 4-hydroxy-3-[[4'-[(2-hydroxynaphthyl)azo]-2,2'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N4O8S2.2Na/c1-19-15-23(35-37-32-28-6-4-3-5-21(28)7-14-30(32)39)8-11-26(19)27-12-9-24(16-20(27)2)36-38-33-31(48(44,45)46)18-22-17-25(47(41,42)43)10-13-29(22)34(33)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C4=CC=C(N=NC5=C(O)C=CC=6C=CC=CC65)C=C4C)C(=C3)C)C2O)S(=O)(=O)[O-]


cas: 370100-90-6
dtxsid: DTXSID40882665
norman_susdat_id: NS00110292
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoroocty ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly(oxy-1,2-ethanediyl) and .alpha.-(1-oxo-2-propenyl)-.omega.-hydroxypoly[oxy(methyl-1,2-ethanediyl)]


name: 7:2 Fluorotelomer dihydrogen phosphate
cas: 37013-72-2
chemspiderid: NA
dtxsid: DTXSID40880404
formula: C9H6F15O4P1
inchikey: XXKFVYRCSDPCBZ-UHFFFAOYSA-N
norman_susdat_id: NS00019008
pubchem_cid: 11156149
smiles: OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H6F15O4P/c10-3(11,1-2-28-29(25,26)27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2,(H2,25,26,27)


name: Tetrasodium ethylenetetracarboxylate
cas: 37024-93-4
dtxsid: DTXSID50190521
formula: C6H4O8
inchikey: YNMLGWDINPNEPJ-UHFFFAOYSA-J
norman_susdat_id: NS00056255
pubchem_cid: 16205100
smiles: [Na+].[Na+].[Na+].[Na+].O=C([O-])C(C(=O)[O-])=C(C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H4O8.4Na/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;;;;/h(H,7,8)(H,9,10)(H,11,12)(H,13,14);;;;/q;4*+1/p-4


name: Carbetocin
cas: 37025-55-1
chebiid: CHEBI:59204
dtxsid: DTXSID90897527
formula: C45H69N11O12S
inchikey: NSTRIRCPWQHTIA-DTRKZRJBSA-N
norman_susdat_id: NS00056256
pubchem_cid: 16681432
inchi:
InChI=1/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)

smiles:
O=C(N)CNC(=O)C(NC(=O)C1N(C(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCSC2)CC3=CC=C(OC)C=C3)C(C)CC)CCC(=O)N)CC(=O)N)CCC1)CC(C)C


name: Thioxanthene, 9-(3-(dimethylamino)propylidene)-2-trifluoromethyl-, hydrochloride, (E)-
cas: 37028-28-7
chemspiderid: 4583648
dtxsid: DTXSID30190529
formula: C19H18F3N1S1
inchikey: KAKFVUQHGXFCIM-FJUODKGNSA-N
norman_susdat_id: NS00030141
pubchem_cid: 6444353
smiles: [Cl-].CN(C)CC/C=C/1c2c(Sc3c1cc(cc3)C(F)(F)F)cccc2
inchi:
InChI=1S/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3/b14-7+


name: (Z)-N,N-dimethyl-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propylamine hydrochloride
cas: 37028-40-3
formula: C19H18F3NS.ClH
inchikey: KAKFVUQHGXFCIM-KIUKIJHYSA-N
norman_susdat_id: NS00088547
smiles: Cl.CN(C)CC\C=C/1\c2ccccc2Sc3ccc(cc13)C(F)(F)F
inchi:
InChI=1/C19H18F3NS.ClH/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22;/h3-4,6-10,12H,5,11H2,1-2H3;1H


name: N,N-Dimethylthioxanthene-9-propylamine
cas: 37028-65-2
chemspiderid: 21230054
dtxsid: DTXSID00190531
formula: C18H21N1S1
inchikey: IUAFRBRSXNQBPC-UHFFFAOYSA-N
norman_susdat_id: NS00030142
pubchem_cid: 56842859
smiles: CN(C)CCCC1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C18H21NS/c1-19(2)13-7-10-14-15-8-3-5-11-17(15)20-18-12-6-4-9-16(14)18/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3


name: Cloperastine
cas: 3703-76-2
chebiid: CHEBI:94448
chemspiderid: 2703
dtxsid: DTXSID7048532
formula: C20H24Cl1N1O1
inchikey: FLNXBVJLPJNOSI-UHFFFAOYNA-N
norman_susdat_id: NS00030146
pubchem_cid: NA
smiles: [Cl-].Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1.[H+]
inchi:
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2/t20-/m0/s1


name: Dihexadecyl phosphonate
cas: 37032-33-0
dtxsid: DTXSID1068019
formula: C32H67O3P
inchikey: UZBRTTGWNVNRIQ-UHFFFAOYSA-N
norman_susdat_id: NS00056258
pubchem_cid: 162238
smiles: O=P(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H67O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-36(33)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-32H2,1-2H3


name: Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate
cas: 37033-95-7
chemspiderid: 81010
dtxsid: DTXSID20190538
formula: C18H17N1O3
inchikey: DCIFXYFKVKDOLL-UHFFFAOYSA-N
norman_susdat_id: NS00030144
pubchem_cid: 95721
smiles: CCOC(=O)c1cc2c([nH]1)ccc(OCc1ccccc1)c2
inchi:
InChI=1S/C18H17NO3/c1-2-21-18(20)17-11-14-10-15(8-9-16(14)19-17)22-12-13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3


name: Mibolerone
cas: 3704-09-4
chebiid: CHEBI:34849
chemspiderid: 220460
dtxsid: DTXSID4036489
formula: C20H30O2
inchikey: PTQMMNYJKCSPET-OMHQDGTGSA-N
norman_susdat_id: NS00030147
pubchem_cid: 251636
smiles: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
inchi:
InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1


name: N-(3-Triethoxysilylpropyl)perfluorooctanoamide
cas: 37043-12-2
dtxsid: DTXSID50190546
formula: C17H22F15NO4Si
inchikey: WTEXGKUNHMKALI-UHFFFAOYSA-N
norman_susdat_id: NS00110523
smiles: CCO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
inchi:
InChI=1S/C17H22F15NO4Si/c1-4-35-38(36-5-2,37-6-3)9-7-8-33-10(34)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h4-9H2,1-3H3,(H,33,34)


name: (3S-trans)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
cas: 3705-26-8
chebiid: CHEBI:69440
formula: C14H16N2O2
inchikey: QZBUWPVZSXDWSB-RYUDHWBXSA-N
norman_susdat_id: NS00047284
pubchem_cid: 443440
smiles: O=C1NC(C(=O)N2CCCC12)CC=3C=CC=CC3
inchi:
InChI=1/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)


name: Benzene, 1,1'-oxybis[3-(3-phenoxyphenoxy)-
cas: 3705-62-2
chemspiderid: 69716
dtxsid: DTXSID1063146
formula: C36H26O5
inchikey: RRVQXJQJDRLGGO-UHFFFAOYSA-N
norman_susdat_id: NS00030150
pubchem_cid: 77296
smiles: O(c1ccccc1)c1cc(Oc2cc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)ccc2)ccc1
inchi:
InChI=1S/C36H26O5/c1-3-11-27(12-4-1)37-29-15-7-17-31(23-29)39-33-19-9-21-35(25-33)41-36-22-10-20-34(26-36)40-32-18-8-16-30(24-32)38-28-13-5-2-6-14-28/h1-26H


cas: 37051-05-1
chemspiderid: 21230055
dtxsid: DTXSID60190557
formula: C15H15N3O6S2
inchikey: YZKJQBUBQFJLMF-ZWNOBZJWSA-N
norman_susdat_id: NS00030148
pubchem_cid: 12767996
smiles: NC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc1cccs1)C2=O)C(=O)O
name:
(6R-trans)-3-((Carbamoyloxy)methyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C15H15N3O6S2/c16-15(23)24-5-7-6-26-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-25-8/h1-3,10,13H,4-6H2,(H2,16,23)(H,17,19)(H,21,22)/t10-,13+/m0/s1


name: Benzoic acid, 2,2'-(dioxydicarbonyl)bis-
cas: 37051-42-6
chemspiderid: 148539
dtxsid: DTXSID0068020
formula: C16H10O8
inchikey: DEQYKFQEQDSGBB-UHFFFAOYSA-N
norman_susdat_id: NS00030149
pubchem_cid: 169852
smiles: OC(=O)c1c(cccc1)C(=O)OOC(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C16H10O8/c17-13(18)9-5-1-3-7-11(9)15(21)23-24-16(22)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)


name: 10H-Phenoxazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetraethyl-
cas: 37060-36-9
chemspiderid: 142219
dtxsid: DTXSID5068021
formula: C27H31N3O2
inchikey: RWPXSXGJVDDPFE-UHFFFAOYSA-N
norman_susdat_id: NS00030152
pubchem_cid: 161931
smiles: CCN(CC)c1cc2c(cc1)N(C(=O)c1ccccc1)c1c(O2)cc(cc1)N(CC)CC
inchi:
InChI=1S/C27H31N3O2/c1-5-28(6-2)21-14-16-23-25(18-21)32-26-19-22(29(7-3)8-4)15-17-24(26)30(23)27(31)20-12-10-9-11-13-20/h9-19H,5-8H2,1-4H3


name: Adenosine sodio-2',3'-phosphate hydrate
cas: 37063-35-7
formula: C10H12N5O6P.Na
inchikey: VSDSIACSNXHGOV-UHFFFAOYSA-M
norman_susdat_id: NS00088476
smiles: Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O[Na])OC34
inchi:
InChI=1/C10H12N5O6P.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7;/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13);/q;+1/p-1/rC10H11N5NaO6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-17)19-10)20-23(18,21-7)22-16/h2-4,6-7,10,17H,1H2,(H2,11,12,13)


cas: 37074-33-2
formula: C40H66O12Sn
inchikey: VMAPEMHOENECMC-UHFFFAOYSA-K
norman_susdat_id: NS00056274
pubchem_cid: 53424573
smiles: O=C(OCC(CC)CCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC(CC)CCCC)(OC(=O)C=CC(=O)OCC(CC)CCCC)CCCC
name:
2-ethylhexyl 6-butyl-14-ethyl-6-[[4-[(2-ethylhexyl)oxy]-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate

inchi:
InChI=1/3C12H20O4.C4H9.Sn/c3*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-3-4-2;/h3*7-8,10H,3-6,9H2,1-2H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H66O12Sn/c1-8-15-19-32(12-5)29-47-35(41)22-25-38(44)50-53(28-18-11-4,51-39(45)26-23-36(42)48-30-33(13-6)20-16-9-2)52-40(46)27-24-37(43)49-31-34(14-7)21-17-10-3/h22-27,32-34H,8-21,28-31H2,1-7H3


cas: 37078-96-9
dtxsid: DTXSID30885660
formula: C16H12Cl2N4O4S
inchikey: PKDOCRWEPWVNMS-UHFFFAOYSA-M
norman_susdat_id: NS00056661
pubchem_cid: 162241
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2Cl)S(=O)(=O)[O-])C3=CC=C(Cl)C=C3
name:
Sodium 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(16(23)22(21-9)11-4-2-10(17)3-5-11)20-19-14-8-12(27(24,25)26)6-7-13(14)18;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1


name: 6-amino-4-hydroxy-5-[[2-(trifluoromethyl)phenyl]azo]naphthalene-2-sulphonic acid
cas: 37078-97-0
formula: C17H12F3N3O4S
inchikey: DIAXRUOBYBLEJE-UHFFFAOYSA-N
norman_susdat_id: NS00088940
smiles: FC(F)(F)c3ccccc3N=Nc1c(N)ccc2cc(cc(O)c12)S(O)(=O)=O
inchi:
InChI=1/C17H12F3N3O4S/c18-17(19,20)11-3-1-2-4-13(11)22-23-16-12(21)6-5-9-7-10(28(25,26)27)8-14(24)15(9)16/h1-8,24H,21H2,(H,25,26,27)


name: 7-Hydroxyloxapine
cas: 37081-75-7
chemspiderid: 167701
dtxsid: DTXSID40190575
formula: C18H18Cl1N3O2
inchikey: CFHDISFPIIFJTI-UHFFFAOYSA-N
norman_susdat_id: NS00002487
pubchem_cid: 193253
smiles: CN1CCN(CC1)C1=Nc2ccc(O)cc2Oc2ccc(Cl)cc12
inchi:
InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-5-16(14)24-17-11-13(23)3-4-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3


name: 7-Hydroxyamoxapine
cas: 37081-76-8
chebiid: CHEBI:143288
chemspiderid: 142472
dtxsid: DTXSID00190576
formula: C17H16ClN3O2
inchikey: MEUGUMOVYNSGEW-UHFFFAOYSA-N
norman_susdat_id: NS00113965
pubchem_cid: 162242
smiles: OC1=CC2=C(C=C1)N=C(N1CCNCC1)C1=C(O2)C=CC(Cl)=C1
inchi:
InChI=1S/C17H16ClN3O2/c18-11-1-4-15-13(9-11)17(21-7-5-19-6-8-21)20-14-3-2-12(22)10-16(14)23-15/h1-4,9-10,19,22H,5-8H2


name: 2-Chloro-5-(3,5-dimethylpiperidinosulphonyl)benzoic acid
cas: 37087-94-8
chemspiderid: 2283938
dtxsid: DTXSID1020277
formula: C14H18Cl1N1O4S1
inchikey: IFXSWTIWFGIXQO-AOOOYVTPSA-N
norman_susdat_id: NS00030153
pubchem_cid: 32335
smiles: C[C@H]1C[C@@H](C)CN(C1)S(=O)(=O)c1cc(C(=O)O)c(Cl)cc1
inchi:
InChI=1S/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)/t9-,10+


name: trans-2-chloro-5-[(3,5-dimethylpiperidin-1-yl)sulphonyl]benzoic acid
cas: 37087-96-0
formula: C14H18ClNO4S
inchikey: IFXSWTIWFGIXQO-UHFFFAOYSA-N
norman_susdat_id: NS00088485
smiles: CC1CC(C)CN(C1)S(=O)(=O)c2ccc(Cl)c(c2)C(=O)O
inchi:
InChI=1/C14H18ClNO4S/c1-9-5-10(2)8-16(7-9)21(19,20)11-3-4-13(15)12(6-11)14(17)18/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)


cas: 370873-97-5
dtxsid: DTXSID90882771
norman_susdat_id: NS00112011
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester, polymer with methyloxirane polymer with oxiranemono-2-propenoate, tert- Bu 2-ethylhexaneperoxoate-initiated


name: Azlocillin
cas: 37091-65-9
chebiid: CHEBI:2956
dtxsid: DTXSID20860542
formula: C20H23N5O6S
inchikey: JTWOMNBEOCYFNV-NFFDBFGFSA-N
norman_susdat_id: NS00099144
pubchem_cid: 6479523
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
inchi:
InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13+,16-/m1/s1


name: Azlocillin
cas: 37091-66-0
chemspiderid: 4447579
dtxsid: DTXSID1022639
formula: C20H23N5O6S1
inchikey: JTWOMNBEOCYFNV-RSUWNVLCSA-N
norman_susdat_id: NS00008683
pubchem_cid: 5284519
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12+,13-,16+/m0/s1


name: Chlorodipropylaluminium
cas: 3710-19-8
formula: C6H14AlCl
inchikey: ZMXPNWBFRPIZFV-UHFFFAOYSA-M
norman_susdat_id: NS00082980
smiles: CCC[Al](Cl)CCC
inchi:
InChI=1/2C3H7.Al.ClH/c2*1-3-2;;/h2*1,3H2,2H3;;1H/q;;+1;/p-1/rC6H14AlCl/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3


name: Bentiromide
cas: 37106-97-1
chemspiderid: 2239
dtxsid: DTXSID2048377
formula: C23H20N2O5
inchikey: SPPTWHFVYKCNNK-UHFFFAOYSA-N
norman_susdat_id: NS00004079
pubchem_cid: 2329
smiles: OC(=O)c1ccc(NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
inchi:
InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)


name: Tris(2-methylpentyl)aluminium
cas: 3711-23-7
formula: C18H39Al
inchikey: WCWWRDANFBTPCH-UHFFFAOYSA-N
norman_susdat_id: NS00082981
smiles: CCCC(C)C[Al](CC(C)CCC)CC(C)CCC
inchi:
InChI=1/3C6H13.Al/c3*1-4-5-6(2)3;/h3*6H,2,4-5H2,1,3H3;/rC18H39Al/c1-7-10-16(4)13-19(14-17(5)11-8-2)15-18(6)12-9-3/h16-18H,7-15H2,1-6H3


name: Adinazolam
cas: 37115-32-5
chebiid: CHEBI:251412
chemspiderid: 34519
dtxsid: DTXSID40190611
formula: C19H18Cl1N5
inchikey: GJSLOMWRLALDCT-UHFFFAOYSA-N
norman_susdat_id: NS00018615
pubchem_cid: 37632
smiles: CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
inchi:
InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3


name: alpha-Hydroxyalprazolam
cas: 37115-43-8
chemspiderid: 142474
dtxsid: DTXSID60190613
formula: C17H13Cl1N4O1
inchikey: ZURUZYHEEMDQBU-UHFFFAOYSA-N
norman_susdat_id: NS00010429
pubchem_cid: 162244
smiles: Clc3cc2C(=N/Cc1nnc(n1c2cc3)CO)c4ccccc4
inchi:
InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2


name: alpha-Hydroxytriazolam
cas: 37115-45-0
chebiid: CHEBI:166535
chemspiderid: 1887
formula: C17H12Cl2N4O1
inchikey: BHUYWUDMVCLHND-UHFFFAOYSA-N
norman_susdat_id: NS00010451
pubchem_cid: 1963
smiles: c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl
inchi:
InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2


name: Pterosin A
cas: 37124-17-7
chemspiderid: 118974
dtxsid: DTXSID60957329
formula: C15H20O3
inchikey: BDZJLPDYMKPKGC-HNNXBMFYSA-N
norman_susdat_id: NS00066983
pubchem_cid: 135017
smiles: CC1=CC2=C(C(=C1CCO)C)C(=O)[C@](C2)(C)CO
inchi:
InChI=1S/C15H20O3/c1-9-6-11-7-15(3,8-17)14(18)13(11)10(2)12(9)4-5-16/h6,16-17H,4-5,7-8H2,1-3H3/t15-/m0/s1


name: 2-((9h-purin-6-ylthio)methyl)-5-chloro-3-(2-methoxyphenyl)quizolin-4(3h)-one
cas: 371242-53-4
formula: C21H15ClN6O2S
inchikey: UMMYTDJYDSTEMB-UHFFFAOYSA-N
norman_susdat_id: NS00071517
pubchem_cid: 6852165
smiles: COc1ccccc1-n1c(CSc2ncnc3nc[nH]c23)nc2cccc(Cl)c2c1=O
inchi:
InChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)


name: 4-(4-amino-1-naphthylazo)benzenesulphonic acid
cas: 3713-23-3
formula: C16H13N3O3S
inchikey: OOXOSYJUYWJBFW-UHFFFAOYSA-N
norman_susdat_id: NS00082951
smiles: OS(=O)(=O)c3ccc(N=Nc1ccc(N)c2ccccc12)cc3
inchi:
InChI=1/C16H13N3O3S/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)23(20,21)22/h1-10H,17H2,(H,20,21,22)


name: Dihydro-alpha,alpha,alpha',alpha'-tetramethyl-2-oxo-2H,4H-pyrimidine-1,3-dipropionic acid
cas: 37133-43-0
chemspiderid: 90790
dtxsid: DTXSID30190620
formula: C14H24N2O5
inchikey: XXISCGZTUNMEFW-UHFFFAOYSA-N
norman_susdat_id: NS00030160
pubchem_cid: 100481
smiles: CC(C)(CN1CCCN(CC(C)(C)C(=O)O)C1=O)C(=O)O
inchi:
InChI=1S/C14H24N2O5/c1-13(2,10(17)18)8-15-6-5-7-16(12(15)21)9-14(3,4)11(19)20/h5-9H2,1-4H3,(H,17,18)(H,19,20)


name: Disodium 4,4'-bis[(6-anilino-4-chloro-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 37138-23-1
dtxsid: DTXSID50889721
formula: C32H24Cl2N10O6S2
inchikey: KGSSIJBRDHHFTI-YHPRVSEPSA-L
norman_susdat_id: NS00056711
pubchem_cid: 169858
inchi:
InChI=1/C32H24Cl2N10O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;/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(Cl)N=C(N3)NC=4C=CC=CC4)NC=5N=C(Cl)N=C(N5)NC=6C=CC=CC6


cas: 37138-25-3
dtxsid: DTXSID10889722
formula: C32H24Cl2N10O12S4
inchikey: ALIFOMCVJCSNSI-YZNHWISSSA-J
norman_susdat_id: NS00056732
pubchem_cid: 169860
name:
Tetrasodium 4,4'-bis[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C32H24Cl2N10O12S4.4Na/c33-27-39-29(35-19-3-1-5-23(13-19)57(45,46)47)43-31(41-27)37-21-11-9-17(25(15-21)59(51,52)53)7-8-18-10-12-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-4-2-6-24(14-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC=5N=C(Cl)N=C(N5)NC6=CC=CC(=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 37138-26-4
dtxsid: DTXSID70889723
formula: C32H24Cl2N10O12S4
inchikey: IJABFRMKWXSSKJ-MBCFVHIPSA-J
norman_susdat_id: NS00056320
pubchem_cid: 109665
name:
Tetrasodium 4,4'-bis[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C32H24Cl2N10O12S4.4Na/c33-27-39-29(35-19-7-11-23(12-8-19)57(45,46)47)43-31(41-27)37-21-5-3-17(25(15-21)59(51,52)53)1-2-18-4-6-22(16-26(18)60(54,55)56)38-32-42-28(34)40-30(44-32)36-20-9-13-24(14-10-20)58(48,49)50;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,37,39,41,43)(H2,36,38,40,42,44);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC=5N=C(Cl)N=C(N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


name: Benzyldimethyloleylammonium
cas: 37139-99-4
chemspiderid: 5289165
formula: C27H48N1
inchikey: YQALICYOSWOYEG-QXMHVHEDSA-N
norman_susdat_id: NS00009060
pubchem_cid: 6912887
smiles: CCCCCCCCC=C/CCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1S/C27H48N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h11-12,19-21,23-24H,4-10,13-18,22,25-26H2,1-3H3/q+1/b12-11-


name: 5'-Thymidylic acid, 3'-deoxy-
cas: 3715-64-8
dtxsid: DTXSID20190634
formula: C10H15N2O7P
inchikey: WVNRRNJFRREKAR-JGVFFNPUSA-N
norman_susdat_id: NS00068691
pubchem_cid: 165151
smiles: Cc1cn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H15N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h4,7-8H,2-3,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1


name: Tramazoline hydrochloride
cas: 3715-90-0
chebiid: CHEBI:32251
formula: C13H17N3.ClH
inchikey: RZOXEODOFNEZRS-UHFFFAOYSA-N
norman_susdat_id: NS00093565
smiles: Cl.C1CCc2c(C1)cccc2NC3=NCCN3
inchi:
InChI=1/C13H17N3.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)16-13-14-8-9-15-13;/h3,5,7H,1-2,4,6,8-9H2,(H2,14,15,16);1H


name: Hydrodioctylaluminium
cas: 37167-65-0
formula: C16H35Al
inchikey: RYFHUGPCQBOJBL-UHFFFAOYSA-N
norman_susdat_id: NS00088806
smiles: CCCCCCCC[Al]CCCCCCCC
inchi:
InChI=1/2C8H17.Al/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/q;;+1/rC16H34Al/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3/q+1


name: Mannobiose
cas: 37169-64-5
chebiid: CHEBI:28085
dtxsid: DTXSID40859054
formula: C12H22O11
inchikey: GUBGYTABKSRVRQ-PZPXDAEZSA-N
norman_susdat_id: NS00070912
pubchem_cid: 448165
smiles: OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1


name: 2-O-a-D-glucopyranosyl-a-D-glucose
cas: 37169-66-7
chebiid: CHEBI:33020
formula: C12H22O11
inchikey: PZDOWFGHCNHPQD-OQPGPFOOSA-N
norman_susdat_id: NS00089249
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O
inchi:
InChI=1/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2


name: Flavoxate hydrochloride
cas: 3717-88-2
chebiid: CHEBI:5089
formula: C24H25NO4.ClH
inchikey: XOEVKNFZUQEERE-UHFFFAOYSA-N
norman_susdat_id: NS00083275
smiles: Cl.CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
inchi:
InChI=1/C24H25NO4.ClH/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25;/h2,4-5,8-12H,3,6-7,13-16H2,1H3;1H


name: 2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid
cas: 371753-19-4
chemspiderid: NA
dtxsid: DTXSID50522065
formula: C15H20O3
inchikey: SHAHPWSYJFYMRX-UHFFFAOYSA-N
norman_susdat_id: NS00040751
pubchem_cid: 13148395
smiles: CC(C(O)=O)c1ccc(CC2CCCC2O)cc1
inchi:
InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)


name: 800-181-3
cas: 371756-75-1
inchikey: AYMQVSYJLSBNAF-UHFFFAOYSA-H
norman_susdat_id: NS00078305
smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CC(O)CN(CC(C)O)c1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cc(ccc5S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CC(C)O)CC(C)O)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)nc(Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)n1


name: N-(2-Methylsulfinyl-1,1-dimethyl-ethyl)-N'-{2-methyl-4-[perfluoroisopropyl]phenyl}phthalamide
cas: 371771-07-2
chemspiderid: 10821761
dtxsid: DTXSID90893387
formula: C23H23F7N2O3S1
inchikey: BMWUVXGFZUPLIC-UHFFFAOYSA-N
norman_susdat_id: NS00001566
pubchem_cid: 22066255
smiles: Cc1cc(ccc1NC(=O)c1ccccc1C(=O)NC(C)(C)CS(C)=O)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C23H23F7N2O3S/c1-13-11-14(21(24,22(25,26)27)23(28,29)30)9-10-17(13)31-18(33)15-7-5-6-8-16(15)19(34)32-20(2,3)12-36(4)35/h5-11H,12H2,1-4H3,(H,31,33)(H,32,34)


name: Norneo Sildenafil
cas: 371959-09-0
chemspiderid: 1461120
dtxsid: DTXSID00365484
formula: C22H29N5O4S1
inchikey: LOJSLWNUHMOFAD-UHFFFAOYSA-N
norman_susdat_id: NS00004628
pubchem_cid: 1896867
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1
inchi:
InChI=1S/C22H29N5O4S/c1-4-9-17-19-20(26(3)25-17)22(28)24-21(23-19)16-14-15(10-11-18(16)31-5-2)32(29,30)27-12-7-6-8-13-27/h10-11,14H,4-9,12-13H2,1-3H3,(H,23,24,28)


name: Namitecan
cas: 372105-27-6
dtxsid: DTXSID90190707
formula: C23H22N4O5
inchikey: IBTISPLPBBHVSU-UVOOVGFISA-N
norman_susdat_id: NS00071795
pubchem_cid: 10950142
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OCCN
inchi:
InChI=1S/C23H22N4O5/c1-2-23(30)17-9-19-20-15(11-27(19)21(28)16(17)12-31-22(23)29)14(10-25-32-8-7-24)13-5-3-4-6-18(13)26-20/h3-6,9-10,30H,2,7-8,11-12,24H2,1H3/b25-10+/t23-/m0/s1


name: Telavancin
cas: 372151-71-8
chemspiderid: 2338980
dtxsid: DTXSID10873383
formula: C80H106Cl2N11O27P1
inchikey: ONUMZHGUFYIKPM-UHFFFAOYSA-N
norman_susdat_id: NS00040974
pubchem_cid: 3081362
inchi:
InChI=1S/C80H106Cl2N11O27P/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114)

smiles:
CCCCCCCCCCNCCNC1(C)CC(OC2C(O)C(O)C(CO)OC2Oc2c3Oc4ccc(cc4Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC4c(c3)cc2Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC4=O)c3ccc(O)c(c3)-c3c(O)c(CNCP(O)(O)=O)c(O)cc3C(NC2=O)C(O)=O)OC(C)C1O


name: [2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate
cas: 37216-10-7
formula: C20H25N6O2.CH3O4S
inchikey: JHLCQUCAFIFTML-UHFFFAOYSA-M
norman_susdat_id: NS00088604
smiles: [O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2
inchi:
InChI=1/C20H25N6O2.CH4O4S/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Ethacridine
cas: 37222-28-9
chebiid: CHEBI:135032
chemspiderid: 1940
dtxsid: DTXSID2048402
formula: C15H15N3O1
inchikey: CIKWKGFPFXJVGW-UHFFFAOYSA-N
norman_susdat_id: NS00007760
pubchem_cid: 2017
smiles: CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
inchi:
InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)


name: Tris(hydroxymethyl)octadecylurea
cas: 37224-10-5
dtxsid: DTXSID70885669
formula: C22H46N2O4
inchikey: WYFIXSDBJXLLNW-UHFFFAOYSA-N
norman_susdat_id: NS00058242
pubchem_cid: 169876
smiles: O=C(N(CO)CO)N(CO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-25)22(28)24(20-26)21-27/h25-27H,2-21H2,1H3


name: Wilforgine
cas: 37239-47-7
chemspiderid: 71355119
formula: C41H47NO19
inchikey: QFIYSPKZWOALMZ-UHFFFAOYSA-N
norman_susdat_id: NS00067886
pubchem_cid: 14108469
inchi:
InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3


name: Wilfordine
cas: 37239-51-3
chemspiderid: 390977
formula: C43H49NO19
inchikey: XQDBHSNYTFRCNJ-UHFFFAOYSA-N
norman_susdat_id: NS00067908
pubchem_cid: 442556
inchi:
InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3


name: Validamycin
cas: 37248-47-8
chebiid: CHEBI:29703
chemspiderid: 10469013
dtxsid: DTXSID4058073
formula: C20H35N1O13
inchikey: JARYYMUOCXVXNK-CSLFJTBJSA-N
norman_susdat_id: NS00018024
pubchem_cid: 443629
smiles: C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO
inchi:
InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1


name: Direct Violet 48
cas: 37279-54-2
chemspiderid: 5289431
dtxsid: DTXSID20879790
formula: C34H29N7O14S4
inchikey: XVOQVFIKRANUSY-IRGIMFCPSA-N
norman_susdat_id: NS00013612
pubchem_cid: NA
inchi:
InChI=1S/C34H29N7O14S4.2Cu.2Na/c1-35-56(46,47)21-5-9-27(42)25(15-21)38-40-31-29(58(50,51)52)13-17-11-19(3-7-23(17)33(31)44)37-20-4-8-24-18(12-20)14-30(59(53,54)55)32(34(24)45)41-39-26-16-22(6-10-28(26)43)57(48,49)36-2;;;;/h3-16,35-37,42-45H,1-2H3,(H,50,51,52)(H,53,54,55);;;;/q;2*+2;2*+1/p-6

smiles:
[Na+].[Na+].[Cu++].[Cu++].CN[S](=O)(=O)c1ccc([O-])c(c1)N=Nc2c([O-])c3ccc(Nc4ccc5c([O-])c(N=Nc6cc(ccc6[O-])[S](=O)(=O)NC)c(cc5c4)[S]([O-])(=O)=O)cc3cc2[S]([O-])(=O)=O


cas: 37279-80-4
chemspiderid: 145673
dtxsid: DTXSID10276557
formula: C39H44N3O1
inchikey: HLSSMVIOSHNMBX-PMMDDIHZSA-N
norman_susdat_id: NS00020808
pubchem_cid: NA
smiles: [Cl-].CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)CC)C=C3)c3ccc(cc3)N(CC)CC)c3ccccc23)cc1
name:
n-[(1e)-4-{bis[4-(diethylamino)phenyl]methylidene}naphthalen-1(4h)-ylidene]-4-ethoxyanilinium chloride

inchi:
InChI=1S/C39H43N3O/c1-6-41(7-2)32-21-15-29(16-22-32)39(30-17-23-33(24-18-30)42(8-3)9-4)37-27-28-38(36-14-12-11-13-35(36)37)40-31-19-25-34(26-20-31)43-10-5/h11-28H,6-10H2,1-5H3/p+1


name: Disodium C-isodecyl sulphonatosuccinate
cas: 37294-49-8
formula: C14H26O7S.2Na
inchikey: XGWOIOIVSZIIKJ-UHFFFAOYSA-L
norman_susdat_id: NS00089306
smiles: CC(C)CCCCCCCOC(=O)CC(C(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C14H26O7S.2Na/c1-11(2)8-6-4-3-5-7-9-21-13(15)10-12(14(16)17)22(18,19)20;;/h11-12H,3-10H2,1-2H3,(H,16,17)(H,18,19,20);;/q;2*+1/p-2/rC14H25NaO7S.Na/c1-11(2)8-6-4-3-5-7-9-21-13(16)10-12(14(17)18)23(19,20)22-15;/h11-12H,3-10H2,1-2H3,(H,17,18);/q;+1/p-1


name: 3-oxo-citalopram
cas: 372941-54-3
chemspiderid: 9659346
dtxsid: DTXSID30881081
formula: C20H19F1N2O2
inchikey: ASGSMDPSNUXWMB-UHFFFAOYSA-N
norman_susdat_id: NS00014628
pubchem_cid: 11484526
smiles: N#Cc1ccc2c(c1)C(=O)OC2(CCCN(C)C)c1ccc(cc1)F
inchi:
InChI=1S/C20H19FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12H,3,10-11H2,1-2H3


name: (Z)-Hexadec-9-enoic acid
cas: 373-49-9
chebiid: CHEBI:28716
chemspiderid: 393216
dtxsid: DTXSID0041197
formula: C16H30O2
inchikey: SECPZKHBENQXJG-FPLPWBNLSA-N
norman_susdat_id: NS00015112
pubchem_cid: 445638
smiles: CCCCCC/C=CCCCCCCCC(=O)O
inchi:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-


name: Pentosan polysulfate
cas: 37300-21-3
dtxsid: DTXSID10190764
formula: C10H18O21S4
inchikey: FCCNSUIJIOOXEZ-SJYYZXOBSA-N
norman_susdat_id: NS00071072
pubchem_cid: 37720
inchi:
InChI=1S/C10H18O21S4/c11-3-1-26-10(8(31-35(22,23)24)5(3)28-32(13,14)15)27-4-2-25-9(12)7(30-34(19,20)21)6(4)29-33(16,17)18/h3-12H,1-2H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t3-,4-,5+,6+,7-,8-,9-,10+/m1/s1

smiles:
O=S(=O)(O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O


name: Elaiophylin
cas: 37318-06-2
chemspiderid: 4948137
formula: C54H88O18
inchikey: OSERMIPXNLXAPD-UHFFFAOYSA-N
norman_susdat_id: NS00040619
pubchem_cid: 6444206
inchi:
InChI=1S/C54H88O18/c1-13-37-33(9)71-53(63,25-41(37)67-45-23-39(55)49(61)35(11)65-45)31(7)47(59)29(5)51-27(3)19-15-17-22-44(58)70-52(28(4)20-16-18-21-43(57)69-51)30(6)48(60)32(8)54(64)26-42(38(14-2)34(10)72-54)68-46-24-40(56)50(62)36(12)66-46/h15-22,27-42,45-52,55-56,59-64H,13-14,23-26H2,1-12H3

smiles:
CCC1C(C)OC(O)(CC1OC1CC(O)C(O)C(C)O1)C(C)C(O)C(C)C1OC(=O)C=CC=CC(C)C(OC(=O)C=CC=CC1C)C(C)C(O)C(C)C1(O)CC(OC2CC(O)C(O)C(C)O2)C(CC)C(C)O1


name: Penitrem C
cas: 37318-84-6
dtxsid: DTXSID40896964
formula: C37H44ClNO4
inchikey: BVVRIERIEDMORG-UHFFFAOYSA-N
norman_susdat_id: NS00075441
smiles: CC(=C)C1OC2CCC3(C)C4(C)C(CCC3(O)C2=CC1O)C1OC(C)(C)C2CC3C2C2=C(CC3=C)C(Cl)=CC3=C2C1=C4N3
inchi:
InChI=1/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3


name: Apramycin
cas: 37321-09-8
chemspiderid: 388613
dtxsid: DTXSID5045465
formula: C21H41N5O11
inchikey: XZNUGFQTQHRASN-UHFFFAOYSA-N
norman_susdat_id: NS00009118
pubchem_cid: 439519
smiles: CNC1C(O)C2OC(OC3C(N)CC(N)C(O)C3O)C(N)CC2OC1OC1OC(CO)C(N)C(O)C1O
inchi:
InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3


name: Avoparcin
cas: 37332-99-3
inchikey: OTKPPUXRIADSGD-PPRNARJGSA-N
norman_susdat_id: NS00078798
smiles:
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2c3ccc(c(c3)Cl)Oc4cc5cc(c4O[C@H]6C([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)N)Oc8ccc(cc8)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]9c1ccc(c(c1)-c1c(cc(cc1O)O)[C@H](NC(=O)[C@H]2NC9=O)C(=O)O)O)c1ccc(cc1)O)NC(=O)[C@@H](c1ccc(cc1)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)NC)O)N)O


name: Pyrimethamine mixture with sulfadoxine
cas: 37338-39-9
dtxsid: DTXSID70190780
formula: C24H27ClN8O4S
inchikey: LUBUTTBEBGYNJN-UHFFFAOYSA-N
norman_susdat_id: NS00076374
smiles: CCC1=C(C(N)=NC(N)=N1)C1=CC=C(Cl)C=C1.COC1=NC=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1OC
inchi:
InChI=1S/C12H13ClN4.C12H14N4O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16)


cas: 37338-48-0
dtxsid: DTXSID00897538
norman_susdat_id: NS00109104
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-[2-[ethyl[(perfluorooctyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


name: Methanone, (2-hydroxy-5-nonylphenyl)phenyl-, oxime
cas: 37339-32-5
dtxsid: DTXSID5068025
formula: C22H29NO2
inchikey: CROPCLKVTSNPEY-UHFFFAOYSA-N
norman_susdat_id: NS00057433
pubchem_cid: 169911
smiles: ON=C(C=1C=CC=CC1)C2=CC(=CC=C2O)CCCCCCCCC
inchi:
InChI=1/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3


name: 1,2-dimethyl-3-phenylpyrrolidin-3-yl propionate hydrochloride
cas: 3734-16-5
dtxsid: DTXSID00958451
formula: C15H21NO2
inchikey: RBBBYDOGRKOESS-UHFFFAOYSA-N
norman_susdat_id: NS00047329
pubchem_cid: 19514
smiles: Cl.O=C(OC1(C=2C=CC=CC2)CCN(C)C1C)CC
inchi:
InChI=1/C15H21NO2.ClH/c1-4-14(17)18-15(10-11-16(3)12(15)2)13-8-6-5-7-9-13;/h5-9,12H,4,10-11H2,1-3H3;1H


name: Denatonium benzoate
cas: 3734-33-6
chebiid: CHEBI:95255
chemspiderid: 14735
formula: C21H29N2O1
inchikey: ZFQMTVNLDNXRNQ-UHFFFAOYSA-O
norman_susdat_id: NS00006955
pubchem_cid: 15488
smiles: CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1
inchi:
InChI=1S/C21H28N2O/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4/h7-14H,5-6,15-16H2,1-4H3/p+1


name: Disodium 5-acetylamino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate
cas: 3734-67-6
chebiid: CHEBI:87464
dtxsid: DTXSID9044663
formula: C18H15N3O8S2
inchikey: WXLFIFHRGFOVCD-UHFFFAOYSA-L
norman_susdat_id: NS00047331
pubchem_cid: 19523
smiles: [Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C
inchi:
InChI=1/C18H15N3O8S2.2Na/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);;/q;2*+1/p-2


name: Aluminium calcium silicate(2:1:2)
cas: 37342-39-5
formula: Al.1/2Ca.H4O4Si
inchikey: SNPUPXXBTRRFLS-UHFFFAOYSA-N
norman_susdat_id: NS00089308
smiles: [AlH3].[AlH3].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/2Al.Ca.2O3Si.8H/c;;;2*1-4(2)3;;;;;;;;/q2*+3;+2;2*-2;;;;;;;;/r2AlH3.CaH2.2O3Si/c;;;2*1-4(2)3/h2*1H3;1H2;;/q2*+3;+2;2*-2


name: 4,5-dihydro-2-isoheptadecyl-1H-imidazole-1-ethylamine
cas: 37349-04-5
dtxsid: DTXSID0068026
formula: C22H45N3
inchikey: JQVMXZAQBAJMBM-UHFFFAOYSA-N
norman_susdat_id: NS00058329
pubchem_cid: 169913
smiles: N1=C(N(CC1)CCN)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1/C22H45N3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-24-18-20-25(22)19-17-23/h21H,3-20,23H2,1-2H3


name: Vetrabutine
cas: 3735-45-3
chemspiderid: 99743
formula: C20H27N1O2
inchikey: HEFVRVOEBZDOJU-UHFFFAOYSA-N
norman_susdat_id: NS00004844
pubchem_cid: 111122
smiles: COc1ccc(cc1OC)C(CCCc1ccccc1)N(C)C
inchi:
InChI=1S/C20H27NO2/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3


cas: 3735-84-0
chebiid: CHEBI:34716
dtxsid: DTXSID30958464
formula: C26H35N3O5
inchikey: RDKIYVYHCBJDMF-DGCKWTARSA-N
norman_susdat_id: NS00045758
pubchem_cid: 3088
smiles: Cl.Cl.O=C(OCCN(C)C)C1=COC(C)C2CN3CCC=4C=5C=C(OC)C(OC)=CC5NC4C3CC12
name:
2-(dimethylamino)ethyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate dihydrochloride

inchi:
InChI=1/C26H35N3O5.2ClH/c1-15-19-13-29-7-6-16-18-11-23(31-4)24(32-5)12-21(18)27-25(16)22(29)10-17(19)20(14-34-15)26(30)33-9-8-28(2)3;;/h11-12,14-15,17,19,22,27H,6-10,13H2,1-5H3;2*1H


name: Fencarbamide
cas: 3735-90-8
dtxsid: DTXSID80190796
formula: C19H24N2OS
inchikey: BZGIPVGCJGXQTA-UHFFFAOYSA-N
norman_susdat_id: NS00045790
pubchem_cid: 6008
smiles: O=C(SCCN(CC)CC)N(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3


name: Metoprolol
cas: 37350-58-6
chebiid: CHEBI:6904
chemspiderid: 4027
dtxsid: DTXSID2023309
formula: C15H25N1O3
inchikey: IUBSYMUCCVWXPE-UHFFFAOYSA-N
norman_susdat_id: NS00000197
pubchem_cid: 4171
smiles: COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
eea_notation: CAS_37350-58-6
inchi:
InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3


cas: 37353-75-6
norman_susdat_id: NS00075853
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.,.alpha.'-[(1-methylethylidene)di-4,1-phenylene]bis[.omega.-hydroxy-


name: 3,8,9-trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one
cas: 3736-60-5
dtxsid: DTXSID30958469
formula: C30H36O4
inchikey: STXNXYCDWWHABB-UHFFFAOYSA-N
norman_susdat_id: NS00045084
pubchem_cid: NA
smiles: O=C1C=C(O)C(C=2C=C3C(C(O)=CC(=C3CC=C(C)C)C)=C(O)C12)(CC=C(C)C)CC=C(C)C
inchi:
InChI=1/C30H36O4/c1-17(2)8-9-21-20(7)14-24(31)27-22(21)15-23-28(29(27)34)25(32)16-26(33)30(23,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,31,33-34H,9,12-13H2,1-7H3


cas: 3736-77-4
formula: C9H10N2O5
inchi: InChI=1/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2
inchikey: UUGITDASWNOAGG-UHFFFAOYSA-N
norman_susdat_id: NS00045810
pubchem_cid: 98961
smiles: O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
name:
[2R-(2a,3ß,3aß,9aß)]-2,3,3a,9a-tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one


name: G 25671
cas: 3736-92-3
chebiid: CHEBI:143292
chemspiderid: 69746
dtxsid: DTXSID90190808
formula: C23H20N2O2S1
inchikey: PLGXGMUJUXKCDD-UHFFFAOYSA-N
norman_susdat_id: NS00030184
pubchem_cid: 77327
smiles: O=C1C(CCSc2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H20N2O2S/c26-22-21(16-17-28-20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2


name: Disopyramide
cas: 3737-09-5
chebiid: CHEBI:4657
chemspiderid: 3002
dtxsid: DTXSID1045536
formula: C21H29N3O1
inchikey: UVTNFZQICZKOEM-UHFFFAOYSA-N
norman_susdat_id: NS00003733
pubchem_cid: 3114
smiles: CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
inchi:
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)


name: 2-(diethylamino)ethyl a-cyclopentyl-a-hydroxythiophen-2-acetate hydrochloride
cas: 3737-35-7
dtxsid: DTXSID20958473
formula: C17H27NO3S
inchikey: SANLWGKFXDACJA-UHFFFAOYSA-N
norman_susdat_id: NS00045102
pubchem_cid: 160714
smiles: Cl.O=C(OCCN(CC)CC)C(O)(C=1SC=CC1)C2CCCC2
inchi:
InChI=1/C17H27NO3S.ClH/c1-3-18(4-2)11-12-21-16(19)17(20,14-8-5-6-9-14)15-10-7-13-22-15;/h7,10,13-14,20H,3-6,8-9,11-12H2,1-2H3;1H


name: SODIUM METHYL PALMI- TOYL TAURATE
cas: 3737-55-1
chemspiderid: 56296
formula: C19H39N1O4S1
inchikey: VGVRWTPKKMTCFK-UHFFFAOYSA-N
norman_susdat_id: NS00014073
pubchem_cid: 62522
smiles: [Na+].CCCCCCCCCCCCCCCC(=O)N(C)CC[S]([O-])(=O)=O
inchi:
InChI=1S/C19H39NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)20(2)17-18-25(22,23)24;/h3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1


name: Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione
cas: 3737-76-6
chemspiderid: 69748
dtxsid: DTXSID0063155
formula: C25H13N1O3
inchikey: UYDYTUHDRBBLFB-UHFFFAOYSA-N
norman_susdat_id: NS00021141
pubchem_cid: 77329
smiles: O=C1c2c(cccc2)C(=O)c2c1ccc1c2[nH]c2c(c1=O)c1ccccc1cc2
inchi:
InChI=1S/C25H13NO3/c27-23-15-7-3-4-8-16(15)24(28)21-17(23)10-11-18-22(21)26-19-12-9-13-5-1-2-6-14(13)20(19)25(18)29/h1-12H,(H,26,29)


name: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-hydroxy-4-sulfo-1-naphthalenyl)azo]-
cas: 3737-95-9
dtxsid: DTXSID5063156
formula: C21H14N2O7S
inchikey: MVQBFZXBLLMXGS-UHFFFAOYSA-N
norman_susdat_id: NS00045853
pubchem_cid: 77330
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=C(O)C=C(C=4C=CC=CC34)S(=O)(=O)O)=C1O
inchi:
InChI=1/C21H14N2O7S/c24-16-10-17(31(28,29)30)13-7-3-4-8-14(13)18(16)22-23-19-12-6-2-1-5-11(12)9-15(20(19)25)21(26)27/h1-10,24-25H,(H,26,27)(H,28,29,30)


name: N-[4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]acetamide
cas: 3738-04-3
formula: C14H13N5O7
inchikey: PUWISJQTOXWLHC-UHFFFAOYSA-N
norman_susdat_id: NS00045798
pubchem_cid: 135666391
smiles: O=C(NC1=CC=C(O)C(N=NC=2C=C(C=C(C2O)[N+](=O)[O-])[N+](=O)[O-])=C1)C
inchi:
InChI=1/C14H11N5O7/c1-7(20)15-8-2-3-13(21)10(4-8)16-17-11-5-9(18(23)24)6-12(14(11)22)19(25)26/h2-6,21-22H,1H3,(H,15,20)


cas: 37382-64-2
dtxsid: DTXSID10882859
norman_susdat_id: NS00109273
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-(1,1,2,2,3,3,3-heptafluoropropyl)-.omega.-[1,2,2,2-tetrafluoro-1-(fluorocarbonyl)ethoxy]-


name: 4,4'-isopropylidenebis[(allyloxy)benzene]
cas: 3739-67-1
dtxsid: DTXSID30863266
formula: C21H24O2
inchikey: SCZZNWQQCGSWSZ-UHFFFAOYSA-N
norman_susdat_id: NS00045799
pubchem_cid: 77333
smiles: O(C1=CC=C(C=C1)C(C2=CC=C(OCC=C)C=C2)(C)C)CC=C
inchi:
InChI=1/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3


cas: 37405-95-1
dtxsid: DTXSID5068029
formula: C35H28N10O8S2
inchikey: CJBSTBQSKQOJNB-UHFFFAOYSA-N
norman_susdat_id: NS00058330
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)-

inchi:
InChI=1/C35H28N10O8S2/c36-21-8-15-27(26(37)18-21)43-40-25-13-11-22(12-14-25)39-35(47)19-6-9-24(10-7-19)42-44-32-28(54(48,49)50)16-20-17-29(55(51,52)53)33(34(46)30(20)31(32)38)45-41-23-4-2-1-3-5-23/h1-18,46H,36-38H2,(H,39,47)(H,48,49,50)(H,51,52,53)

smiles:
O=C(NC1=CC=C(N=NC2=CC=C(N)C=C2N)C=C1)C3=CC=C(N=NC=4C(N)=C5C(O)=C(N=NC=6C=CC=CC6)C(=CC5=CC4S(=O)(=O)O)S(=O)(=O)O)C=C3


name: Sodium 4-[[5-amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]azo]-2,5-dichlorobenzenesulphonate
cas: 37405-99-5
dtxsid: DTXSID80885675
formula: C16H12Cl3N5O3S
inchikey: WVSLLOUASIRMKK-UHFFFAOYSA-M
norman_susdat_id: NS00056012
pubchem_cid: 116628
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C(N=NC=2C(=NN(C3=CC=C(Cl)C=C3)C2N)C)=CC1Cl
inchi:
InChI=1/C16H12Cl3N5O3S.Na/c1-8-15(16(20)24(23-8)10-4-2-9(17)3-5-10)22-21-13-6-12(19)14(7-11(13)18)28(25,26)27;/h2-7H,20H2,1H3,(H,25,26,27);/q;+1/p-1


name: Atenolol met 21 - 458
cas: 374077-22-2
chemspiderid: NA
formula: C20H30N2O10
inchikey: BUKLOPCCDUAIMD-UHFFFAOYSA-N
norman_susdat_id: NS00000773
pubchem_cid: NA
smiles: O(c1cc(OC2OC(C(O)=O)C(O)C(O)C2O)c(CC(N)=O)cc1)CC(CNC(C)C)O
inchi:
InChI=1S/C20H30N2O10/c1-9(2)22-7-11(23)8-30-12-4-3-10(5-14(21)24)13(6-12)31-20-17(27)15(25)16(26)18(32-20)19(28)29/h3-4,6,9,11,15-18,20,22-23,25-27H,5,7-8H2,1-2H3,(H2,21,24)(H,28,29)


name: 2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-
cas: 3741-80-8
chemspiderid: 69761
dtxsid: DTXSID1041394
formula: C18H17N3S4
inchikey: VILGDADBAQFRJE-UHFFFAOYSA-N
norman_susdat_id: NS00004984
pubchem_cid: 77344
smiles: CC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1
inchi:
InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3


name: 21-Hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate
cas: 37413-91-5
chemspiderid: 9101892
dtxsid: DTXSID60190855
formula: C23H26O4
inchikey: UFEOMHFPJREVTP-PTRHGPIFSA-N
norman_susdat_id: NS00030191
pubchem_cid: 10926647
smiles: CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C
inchi:
InChI=1S/C23H26O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7-10,12,17-18H,4-6,11,13H2,1-3H3/t17-,18-,22+,23-/m1/s1


cas: 37413-97-1
chemspiderid: 21230073
dtxsid: DTXSID20190856
formula: C29H33F1O8S1
inchikey: YSGNXNJCNVKEIN-RDBMFYIASA-M
norman_susdat_id: NS00030192
pubchem_cid: 56843194
smiles: [Na+].CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)c1cc(ccc1)S(=O)(=O)[O-]
name:
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16alpha)-

inchi:
InChI=1S/C29H33FO8S/c1-16-11-22-21-8-7-18-13-19(31)9-10-28(18,3)29(21,30)24(33)14-27(22,2)25(16)23(32)15-38-26(34)17-5-4-6-20(12-17)39(35,36)37/h4-6,9-10,12-13,16,21-22,24-25,33H,7-8,11,14-15H2,1-3H3,(H,35,36,37)/t16-,21-,22-,24+,25-,27-,28+,29-/m0/s1


name: Iodocholesterol
cas: 37414-03-2
chemspiderid: 20086815
dtxsid: DTXSID80190857
formula: C27H45I1O1
inchikey: FIOAEFCJGZJUPW-FTLVODPJSA-N
norman_susdat_id: NS00030193
pubchem_cid: 21150757
smiles: CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(CI)C3CCC12C
inchi:
InChI=1S/C27H45IO/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27+/m0/s1


name: Tebrabromobisphenol A bispropanoate
cas: 37419-42-4
chemspiderid: 2588350
formula: C21H20Br4O4
inchikey: CHPHPONWLVLQCX-UHFFFAOYSA-N
norman_susdat_id: NS00008066
pubchem_cid: 3341665
smiles: CCC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OC(=O)CC)c(Br)c1
inchi:
InChI=1S/C21H20Br4O4/c1-5-17(26)28-19-13(22)7-11(8-14(19)23)21(3,4)12-9-15(24)20(16(25)10-12)29-18(27)6-2/h7-10H,5-6H2,1-4H3


cas: 37422-04-1
dtxsid: DTXSID00958512
formula: C26H29N2O2S2
inchikey: YPOWWYMDBQEBAD-UHFFFAOYSA-N
norman_susdat_id: NS00056013
pubchem_cid: NA
smiles: [I-].O=C(O)CC[N+]1=C(SC=2C=CC(=CC21)C)C=C(C=C3SC4=CC=C(C=C4N3CC)C)CC
name:
3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methylbenzothiazolium iodide

inchi:
InChI=1/C26H28N2O2S2.HI/c1-5-19(15-24-27(6-2)20-13-17(3)7-9-22(20)31-24)16-25-28(12-11-26(29)30)21-14-18(4)8-10-23(21)32-25;/h7-10,13-16H,5-6,11-12H2,1-4H3;1H


cas: 374551-53-8
dtxsid: DTXSID80882866
norman_susdat_id: NS00111675
name:
Alcohols, C8-14, .gamma.-.omega.-perfluoro, polymers with 1,3-butanediol, 1,3-diisocyanatomethylbenzene and 2-ethyl-2-(hydroxymethyl)-1,3-propanediol


name: N,N-Dimethyl-N-(propan-2-yl)propan-2-aminium nonafluorobutane-1-sulfonate
cas: 374571-81-0
dtxsid: DTXSID90895609
formula: C12H20F9NO3S
inchikey: AXYHEICLBPBPQM-UHFFFAOYSA-M
norman_susdat_id: NS00112106
smiles: CC(C)[N+](C)(C)C(C)C.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H20N.C4HF9O3S/c1-7(2)9(5,6)8(3)4;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h7-8H,1-6H3;(H,14,15,16)/q+1;/p-1


name: 1,3-Di-9H-xanthen-9-ylurea
cas: 3746-45-0
chemspiderid: 69766
dtxsid: DTXSID40190898
formula: C27H20N2O3
inchikey: XWEYDSIYIFOLQK-UHFFFAOYSA-N
norman_susdat_id: NS00030199
pubchem_cid: 77349
smiles: O=C(NC1c2c(Oc3c1cccc3)cccc2)NC1c2c(Oc3c1cccc3)cccc2
inchi:
InChI=1S/C27H20N2O3/c30-27(28-25-17-9-1-5-13-21(17)31-22-14-6-2-10-18(22)25)29-26-19-11-3-7-15-23(19)32-24-16-8-4-12-20(24)26/h1-16,25-26H,(H2,28,29,30)


name: Disodium 5-hydroxy-6-[(4-sulphonatonaphthyl)azo]naphthalenesulphonate
cas: 3746-79-0
formula: C20H14N2O7S2
inchikey: UHHFZNRJXCHXJM-UHFFFAOYSA-L
norman_susdat_id: NS00046439
pubchem_cid: 413411
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])=CC=C21
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-20-15-6-3-7-18(30(24,25)26)14(15)8-9-17(20)22-21-16-10-11-19(31(27,28)29)13-5-2-1-4-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


cas: 374623-78-6
dtxsid: DTXSID30882710
norman_susdat_id: NS00109955
name:
2-Propenoic acid, butyl ester, polymer with 2-ethylhexyl-2-propenoate, 2-hydroxyethyl 2-propenoate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-2-propenoate, 4,4'-azobis[4-cyanopentanoic acid]-initiated


name: N,4-dimethyl-n-(1-phenyl-1h-pyrazol-5-yl)benzene-1-sulfonamide
cas: 374632-71-0
dtxsid: DTXSID80332250
formula: C17H17N3O2S
inchikey: KRHPBWNETCEFGS-UHFFFAOYSA-N
norman_susdat_id: NS00068954
pubchem_cid: 447297
smiles: Cc1ccc(S(=O)(=O)N(C)c2ccnn2-c2ccccc2)cc1
inchi:
InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3


name: L-arginine monoacetylsalicylate
cas: 37466-21-0
formula: C9H8O4.C6H14N4O2
inchikey: FXXXGQLMXDIPQA-VWMHFEHESA-N
norman_susdat_id: NS00089097
smiles: O=C(C)Oc1ccccc1C(O)=O.NC(=N)NCCC[C@H](N)C(O)=O
inchi:
InChI=1/C9H8O4.C6H14N4O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4(5(11)12)2-1-3-10-6(8)9/h2-5H,1H3,(H,11,12);4H,1-3,7H2,(H,11,12)(H4,8,9,10)


name: Flavodic acid
cas: 37470-13-6
chebiid: CHEBI:135561
formula: C19H14O8
inchikey: IGCSSLDDCHLXGL-UHFFFAOYSA-N
norman_susdat_id: NS00088398
smiles: OC(=O)COc1cc(OCC(=O)O)c2C(=O)C=C(Oc2c1)c3ccccc3
inchi:
InChI=1/C19H14O8/c20-13-8-14(11-4-2-1-3-5-11)27-16-7-12(25-9-17(21)22)6-15(19(13)16)26-10-18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)


name: Mandipropamid
cas: 374726-62-2
chebiid: CHEBI:83617
chemspiderid: 9467809
dtxsid: DTXSID4058075
formula: C23H22Cl1N1O4
inchikey: KWLVWJPJKJMCSH-UHFFFAOYSA-N
norman_susdat_id: NS00000495
pubchem_cid: 11292824
smiles: Clc1ccc(cc1)C(OCC#C)C(=O)NCCc2ccc(OCC#C)c(OC)c2
inchi:
InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)


name: 3,3'-{Methylenebis[(4,1-phenylene)oxy]}bis(2-chloropropan-1-ol)
cas: 374772-79-9
chemspiderid: 3535213
dtxsid: DTXSID30741590
formula: C19H22Cl2O4
inchikey: VQXSOBIULOLCHO-UHFFFAOYSA-N
norman_susdat_id: NS00003078
pubchem_cid: 4330771
smiles: OC(CCl)COc1ccc(Cc2ccc(OCC(O)CCl)cc2)cc1
inchi:
InChI=1S/C19H22Cl2O4/c20-10-16(22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-21/h1-8,16-17,22-23H,9-13H2


cas: 37478-72-1
dtxsid: DTXSID20894822
formula: C47H57N3O4S2
inchikey: ZMPFKUCKCYBRBK-UHFFFAOYSA-N
norman_susdat_id: NS00066899
name:
Phenol, 2-[[2-[[4,12-bis(1,1-dimethylethyl)-2,14-dimethyl-10,6-nitrilo-6H-dibenzo[h,k][1,7,10,3,5]dioxathiadiazacyclododecin-8-yl]oxy]-3-(1,1-dimethylethyl)-5-methylphenyl]thio]-6-(1,1-dimethylethyl)-4-methyl-

inchi:
InChI=1S/C47H57N3O4S2/c1-25-17-29(44(5,6)7)37(51)33(21-25)55-34-22-26(2)18-30(45(8,9)10)38(34)52-41-48-42-50-43(49-41)54-40-32(47(14,15)16)20-28(4)24-36(40)56-35-23-27(3)19-31(39(35)53-42)46(11,12)13/h17-24,51H,1-16H3

smiles:
[H]OC1=C(SC2=C(OC3=NC4=NC(OC5=C(SC6=C(O4)C(=CC(C)=C6)C(C)(C)C)C=C(C)C=C5C(C)(C)C)=N3)C(=CC(C)=C2)C(C)(C)C)C=C(C)C=C1C(C)(C)C


name: Dimethyl 5-(1-hydroxy-N-octadecyl-2-naphthamido)isophthalate
cas: 3748-70-7
dtxsid: DTXSID00884009
formula: C39H53NO6
inchikey: XOWCGAANUVRYOR-UHFFFAOYSA-N
norman_susdat_id: NS00045854
pubchem_cid: 77354
smiles: O=C(OC)C=1C=C(C=C(C1)N(C(=O)C=2C=CC=3C=CC=CC3C2O)CCCCCCCCCCCCCCCCCC)C(=O)OC
inchi:
InChI=1/C39H53NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-40(33-28-31(38(43)45-2)27-32(29-33)39(44)46-3)37(42)35-25-24-30-22-19-20-23-34(30)36(35)41/h19-20,22-25,27-29,41H,4-18,21,26H2,1-3H3


name: Titanium(4+) 2,2',2''-nitrilotrisethanolate
cas: 37481-13-3
formula: C6H15NO3.xTi
inchi: InChI=1/4C6H12NO3.3Ti/c4*8-4-1-7(2-5-9)3-6-10;;;/h4*1-6H2;;;/q4*-3;3*+4
inchikey: DOJHSAKTDYSNNO-UHFFFAOYSA-N
norman_susdat_id: NS00088624
smiles:
[Ti+4].[Ti+4].[Ti+4].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-].[O-]CCN(CC[O-])CC[O-]


name: 2H-Tricosafluoro-5,8,11,14-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecane
cas: 37486-69-4
chemspiderid: 110055
dtxsid: DTXSID60880406
formula: C17H1F35O5
inchikey: MEXQRXXROOSHGK-UHFFFAOYSA-N
norman_susdat_id: NS00019015
pubchem_cid: 123459
inchi:
InChI=1S/C17HF35O5/c18-1(2(19,20)21)53-14(45,46)4(24,9(31,32)33)55-16(49,50)6(26,11(37,38)39)57-17(51,52)7(27,12(40,41)42)56-15(47,48)5(25,10(34,35)36)54-13(43,44)3(22,23)8(28,29)30/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)(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 3-a,7-a-diacetoxy-12-a-hydroxy-5-ß-cholan-24-oate
cas: 3749-87-9
dtxsid: DTXSID80958595
formula: C29H46O7
inchikey: VKXXPYARELKQOY-UHFFFAOYSA-N
norman_susdat_id: NS00045856
pubchem_cid: 620186
smiles: O=C(OC1CCC2(C)C(C1)CC(OC(=O)C)C3C4CCC(C(C)CCC(=O)OC)C4(C)C(O)CC32)C
inchi:
InChI=1/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3


cas: 374928-92-4
dtxsid: DTXSID20897656
norman_susdat_id: NS00109829
name:
2-Butenedioic acid (2Z)-, dioctyl ester, polymer with chloroethene and α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) (9CI)


name: [3-(1-ethoxyethoxy)propyl]lithium
cas: 37494-03-4
formula: C7H15LiO2
inchikey: LXYIXJJWHUOJBY-UHFFFAOYSA-N
norman_susdat_id: NS00088399
smiles: [Li]CCCOC(C)OCC
inchi:
InChI=1/C7H15O2.Li/c1-4-6-9-7(3)8-5-2;/h7H,1,4-6H2,2-3H3;/rC7H15LiO2/c1-3-9-7(2)10-6-4-5-8/h7H,3-6H2,1-2H3


name: 2,3-Dihydroxypropyl (8xi)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
cas: 37497-47-5
chebiid: CHEBI:90230
chemspiderid: 21466935
dtxsid: DTXSID30849646
formula: C23H38O7
inchikey: RJXVYMMSQBYEHN-LVXZDWGESA-N
norman_susdat_id: NS00016764
pubchem_cid: 24778489
smiles: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)OCC(CO)O)O)O
inchi:
InChI=1S/C23H38O7/c1-2-3-6-9-17(25)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-16-18(26)15-24/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,18?,19+,20+,22+/m0/s1


name: Perfluoroheptanesulfonic acid (PFHpS)
cas: 375-92-8
chemspiderid: 61137
dtxsid: DTXSID8059920
formula: C7H1F15O3S1
inchikey: OYGQVDSRYXATEL-UHFFFAOYSA-N
norman_susdat_id: NS00011291
pubchem_cid: 67820
smiles: 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)F
inchi:
InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)


name: Perfluorononanoic acid (PFNA)
cas: 375-95-1
chebiid: CHEBI:38397
chemspiderid: 61138
dtxsid: DTXSID8031863
formula: C9H1F17O2
inchikey: UZUFPBIDKMEQEQ-UHFFFAOYSA-N
norman_susdat_id: NS00000368
pubchem_cid: 67821
smiles: O=C(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
eea_notation: CAS_375-95-1
inchi:
InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)


name: 1-H-Perflurodecane
cas: 375-97-3
chemspiderid: 107329
dtxsid: DTXSID60190951
formula: C10H1F21
inchikey: DSNMEFYRPYNWJJ-UHFFFAOYSA-N
norman_susdat_id: NS00019028
pubchem_cid: 120226
smiles: FC(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/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H


name: Dihexylmagnesium
cas: 37509-99-2
formula: C12H26Mg
inchikey: ZKSADANYBSWZAB-UHFFFAOYSA-N
norman_susdat_id: NS00088655
smiles: CCCCCC[Mg]CCCCCC
inchi:
InChI=1/2C6H13.Mg/c2*1-3-5-6-4-2;/h2*1,3-6H2,2H3;/rC12H26Mg/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3


cas: 37515-76-7
dtxsid: DTXSID30889724
formula: C42H42N14O14S4
inchikey: HAMURXQOURMAQS-PLJHVDPMSA-J
norman_susdat_id: NS00057083
pubchem_cid: NA
name:
Tetrasodium 4,4'-bis[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C42H42N14O14S4.4Na/c43-17-1-19-55(21-23-57)41-51-37(45-29-9-13-33(14-10-29)71(59,60)61)49-39(53-41)47-31-7-5-27(35(25-31)73(65,66)67)3-4-28-6-8-32(26-36(28)74(68,69)70)48-40-50-38(46-30-11-15-34(16-12-30)72(62,63)64)52-42(54-40)56(22-24-58)20-2-18-44;;;;/h3-16,25-26,57-58H,1-2,19-24H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].N#CCCN(C=1N=C(N=C(N1)NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])NC4=NC(=NC(=N4)N(CCO)CCC#N)NC5=CC=C(C=C5)S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-])CCO


name: Pipothiazine palmitate
cas: 37517-26-3
chebiid: CHEBI:135769
chemspiderid: 34634
dtxsid: DTXSID5048970
formula: C40H63N3O4S2
inchikey: KTOYYUONFQWSMW-UHFFFAOYSA-N
norman_susdat_id: NS00030206
pubchem_cid: 37767
smiles: CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3c(Sc4c2cc(cc4)S(=O)(=O)N(C)C)cccc3)CC1
inchi:
InChI=1S/C40H63N3O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22-40(44)47-32-27-34-25-30-42(31-26-34)28-19-29-43-36-20-17-18-21-38(36)48-39-24-23-35(33-37(39)43)49(45,46)41(2)3/h17-18,20-21,23-24,33-34H,4-16,19,22,25-32H2,1-3H3


name: Amikacin
cas: 37517-28-5
chebiid: CHEBI:2637
chemspiderid: 34635
dtxsid: DTXSID3022586
formula: C22H43N5O13
inchikey: LKCWBDHBTVXHDL-RMDFUYIESA-N
norman_susdat_id: NS00006181
pubchem_cid: 37768
inchi:
InChI=1S/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1

smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O


name: Acebutolol
cas: 37517-30-9
chebiid: CHEBI:2379
chemspiderid: 1901
dtxsid: DTXSID2048539
formula: C18H28N2O4
inchikey: GOEMGAFJFRBGGG-UHFFFAOYSA-N
norman_susdat_id: NS00006043
pubchem_cid: 1978
smiles: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
inchi:
InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)


name: (S)-3-(2-piperidyl)pyridine, compound with picric acid (1:2)
cas: 37520-45-9
formula: C10H14N2.2C6H3N3O7
inchikey: LGSNICSTZFWAOZ-XRIOVQLTSA-N
norman_susdat_id: NS00088687
inchi:
InChI=1/C10H14N2.2C6H3N3O7/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,6,8,10,12H,1-2,5,7H2;2*1-2,10H

smiles:
Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C3CC[C@H](NC3)c4cccnc4


name: Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-
cas: 3753-05-7
chemspiderid: 69775
dtxsid: DTXSID4063167
formula: C16H14O6
inchikey: VAXBLYWAVAIJJJ-UHFFFAOYSA-N
norman_susdat_id: NS00030212
pubchem_cid: 77358
smiles: OC(=O)c1ccc(OCCOc2ccc(cc2)C(=O)O)cc1
inchi:
InChI=1S/C16H14O6/c17-15(18)11-1-5-13(6-2-11)21-9-10-22-14-7-3-12(4-8-14)16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20)


name: 9,10-Anthracenedione, 2-[4-(acetyloxy)phenyl]-4,8-diamino-1,5-dihydroxy-
cas: 3753-50-2
chemspiderid: 69779
dtxsid: DTXSID4063169
formula: C22H16N2O6
inchikey: ODMIJAPLDKMEPD-UHFFFAOYSA-N
norman_susdat_id: NS00030213
pubchem_cid: 77363
smiles: CC(=O)Oc1ccc(cc1)c1c(O)c2c(c(N)c1)C(=O)c1c(O)ccc(N)c1C2=O
inchi:
InChI=1S/C22H16N2O6/c1-9(25)30-11-4-2-10(3-5-11)12-8-14(24)17-19(20(12)27)22(29)16-13(23)6-7-15(26)18(16)21(17)28/h2-8,26-27H,23-24H2,1H3


name: Mibampator
cas: 375345-95-2
dtxsid: DTXSID20190977
formula: C21H30N2O4S2
inchikey: ULRDYYKSPCRXAJ-KRWDZBQOSA-N
norman_susdat_id: NS00068333
pubchem_cid: 9889366
smiles: CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-c2ccc(CCNS(C)(=O)=O)cc2)cc1
inchi:
InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21(12-10-19)20-7-5-18(6-8-20)13-14-22-28(4,24)25/h5-12,16-17,22-23H,13-15H2,1-4H3/t17-/m0/s1


cas: 37539-03-0
chemspiderid: 4912086
dtxsid: DTXSID80190978
formula: C10H11N5O3S2
inchikey: MLOZJRLUNNFSGD-HZGVNTEJSA-N
norman_susdat_id: NS00030214
pubchem_cid: 6400459
smiles: NC1C2SCC(=C(N2C1=O)C(=O)O)CSc1n[nH]nc1
name:
(6R-trans)-7-Amino-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C10H11N5O3S2/c11-6-8(16)15-7(10(17)18)4(3-20-9(6)15)2-19-5-1-12-14-13-5/h1,6,9H,2-3,11H2,(H,17,18)(H,12,13,14)/t6-,9+/m0/s1


name: Ambuside
cas: 3754-19-6
chebiid: CHEBI:135623
dtxsid: DTXSID60877210
formula: C13H16ClN3O5S2
inchikey: SGYBHNVEILSSGC-UHFFFAOYSA-N
norman_susdat_id: NS00045801
pubchem_cid: NA
smiles: O=S(=O)(N)C=1C=C(C(N=CC=C(O)C)=CC1Cl)S(=O)(=O)NCC=C
inchi:
InChI=1/C13H16ClN3O5S2/c1-3-5-17-24(21,22)13-8-12(23(15,19)20)10(14)7-11(13)16-6-4-9(2)18/h3-4,6-8,17-18H,1,5H2,2H3,(H2,15,19,20)


name: S-(5-deoxy-d-ribos-5-yl)-l-homocysteine
cas: 37558-16-0
chebiid: CHEBI:90364
formula: C9H17NO6S
inchikey: IQFWYNFDWRYSRA-OEQWSMLSSA-N
norman_susdat_id: NS00069779
pubchem_cid: 25245776
smiles: N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O
inchi:
InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1


name: 4-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulphonyl]phenyl]amino]-4-oxoisocrotonic acid
cas: 37560-05-7
formula: C16H16N4O5S
inchikey: BUGYDSJZQNENIV-FPLPWBNLSA-N
norman_susdat_id: NS00057084
pubchem_cid: 1622599
smiles: O=C(O)C=CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC=2N=C(C=C(N2)C)C
inchi:
InChI=1/C16H16N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-9H,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)


name: Fenoverine
cas: 37561-27-6
chebiid: CHEBI:135744
chemspiderid: 65083
dtxsid: DTXSID8046296
formula: C26H25N3O3S1
inchikey: UBAJTZKNDCEGKL-UHFFFAOYSA-N
norman_susdat_id: NS00030217
pubchem_cid: 72098
smiles: O=C(CN1CCN(Cc2cc3c(OCO3)cc2)CC1)N1c2c(Sc3c1cccc3)cccc2
inchi:
InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2


name: R,S-Warfarin alcohol
cas: 37571-78-1
dtxsid: DTXSID80191006
formula: C19H18O4
inchikey: ZUJMMGHIYSAEOU-SWLSCSKDSA-N
norman_susdat_id: NS00073267
pubchem_cid: 54736486
smiles: C[C@H](O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
inchi:
InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m0/s1


name: beta-Estradiol 17-propionate
cas: 3758-34-7
chemspiderid: 18438
dtxsid: DTXSID4048985
formula: C21H28O3
inchikey: PQCRZWCSVWBYSC-AGRFSFNASA-N
norman_susdat_id: NS00030219
pubchem_cid: 19571
smiles: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(O)c4)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H28O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h5,7,12,16-19,22H,3-4,6,8-11H2,1-2H3/t16-,17-,18+,19+,21+/m1/s1


name: stearamidopropyldimethyl-beta-hydroxyethylammonium-dihydrogen phosphate
cas: 3758-54-1
dtxsid: DTXSID9052050
formula: C25H55N2O6P
inchikey: CDWDDCFBDRKNLE-UHFFFAOYSA-N
norman_susdat_id: NS00112606
smiles: OP(O)([O-])=O.CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO
inchi:
InChI=1S/C25H52N2O2.H3O4P/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;1-5(2,3)4/h28H,4-24H2,1-3H3;(H3,1,2,3,4)


name: Dotetracontafluoroicosane
cas: 37589-57-4
chemspiderid: 454319
dtxsid: DTXSID60191024
formula: C20F42
inchikey: WSXNCJNDCDTRSA-UHFFFAOYSA-N
norman_susdat_id: NS00019026
pubchem_cid: 520855
inchi:
InChI=1S/C20F42/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 5-(morpholinomethyl)-3-[[(5-nitro-2-furyl)methylene]amino]oxazolidine-2-one hydrochloride
cas: 3759-92-0
formula: C13H16N4O6.ClH
inchikey: PPSVFZXMDMUIGB-UHFFFAOYSA-N
norman_susdat_id: NS00081730
smiles: Cl.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3
inchi:
InChI=1/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H


name: EINECS 253-558-4
cas: 37591-67-6
chemspiderid: 14985095
dtxsid: DTXSID00191028
formula: C29H28N2O6S1
inchikey: LCRVLXSXMGVJHV-KWNWCNBBSA-N
norman_susdat_id: NS00030221
pubchem_cid: 112090
smiles: CC1(C)C(N2C(C(NC(=O)COc3ccccc3)C2=O)S1=O)C(=O)OC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C29H28N2O6S/c1-29(2)25(28(34)37-24(19-12-6-3-7-13-19)20-14-8-4-9-15-20)31-26(33)23(27(31)38(29)35)30-22(32)18-36-21-16-10-5-11-17-21/h3-17,23-25,27H,18H2,1-2H3,(H,30,32)/t23-,25+,27-,38+/m1/s1


name: N,N-diisobutyloleamide
cas: 37595-59-8
formula: C26H51NO
inchikey: CDGZMJQGBQRSFY-YPKPFQOOSA-N
norman_susdat_id: NS00057923
pubchem_cid: 6432882
smiles: O=C(N(CC(C)C)CC(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H51NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(28)27(22-24(2)3)23-25(4)5/h13-14,24-25H,6-12,15-23H2,1-5H3


name: 2-[[2-[bis(2-hydroxypropyl)amino]ethyl](2-hydroxypropyl)amino]-1-methylethyl oleate
cas: 37599-16-9
formula: C32H64N2O5
inchikey: QFKMMTALBTXNHD-YPKPFQOOSA-N
norman_susdat_id: NS00057938
pubchem_cid: 6441585
smiles: O=C(OC(C)CN(CCN(CC(O)C)CC(O)C)CC(O)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C32H64N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(38)39-31(5)27-34(26-30(4)37)23-22-33(24-28(2)35)25-29(3)36/h13-14,28-31,35-37H,6-12,15-27H2,1-5H3


name: Perfluorotridecane
cas: 376-03-4
chemspiderid: 2056700
dtxsid: DTXSID00380031
formula: C13F28
inchikey: XJRHWVMSUNRDCA-UHFFFAOYSA-N
norman_susdat_id: NS00019029
pubchem_cid: 2776382
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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13F28/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41


name: Perfluorotridecyl iodide
cas: 376-04-5
chemspiderid: 30988158
dtxsid: DTXSID10880138
formula: C13F27I1
inchikey: DSXBFFPIBZRADQ-UHFFFAOYSA-N
norman_susdat_id: NS00011180
pubchem_cid: 14993424
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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
inchi:
InChI=1S/C13F27I/c14-1(15,2(16,17)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)38)3(18,19)5(22,23)7(26,27)9(30,31)11(34,35)13(39,40)41


name: Perfluorotetradecanoic acid (PFTeDA)
cas: 376-06-7
chemspiderid: 61139
dtxsid: DTXSID3059921
formula: C14H1F27O2
inchikey: RUDINRUXCKIXAJ-UHFFFAOYSA-N
norman_susdat_id: NS00011273
pubchem_cid: 67822
smiles: O=C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
inchi:
InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)


name: 2-[Ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl methacrylate
cas: 376-14-7
chemspiderid: 61140
dtxsid: DTXSID8059922
formula: C16H14F17N1O4S1
inchikey: DBCGADAHIXJHCE-UHFFFAOYSA-N
norman_susdat_id: NS00011340
pubchem_cid: 67823
smiles: CCN(CCOC(=O)C(C)=C)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3


name: 4-Amino-N-(2-(diethylamino)ethyl)-2-methoxybenzamide
cas: 3761-48-6
chemspiderid: 69789
dtxsid: DTXSID40191047
formula: C14H23N3O2
inchikey: AQOCQFLDHPSJLR-UHFFFAOYSA-N
norman_susdat_id: NS00030227
pubchem_cid: 77374
smiles: CCN(CC)CCNC(=O)c1ccc(N)cc1OC
inchi:
InChI=1S/C14H23N3O2/c1-4-17(5-2)9-8-16-14(18)12-7-6-11(15)10-13(12)19-3/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18)


name: Disodium 1-(2,4-dimethylphenylazo)-2-hydroxynaphthalene-3,6-disulphonate
cas: 3761-53-3
chebiid: CHEBI:82369
dtxsid: DTXSID8021228
formula: C18H16N2O7S2
inchikey: YJVBLROMQZEFPA-UHFFFAOYSA-L
norman_susdat_id: NS00046486
pubchem_cid: 111804
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC=C(C=C3C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: Encainide
cas: 37612-13-8
dtxsid: DTXSID0022983
formula: C22H28N2O2
inchikey: PJWPNDMDCLXCOM-IBGZPJMESA-N
norman_susdat_id: NS00069837
smiles: COc1ccc(C(=O)Nc2ccccc2CC[C@@H]2CCCCN2C)cc1
inchi:
InChI=1S/C22H28N2O2/c1-24-16-6-5-8-19(24)13-10-17-7-3-4-9-21(17)23-22(25)18-11-14-20(26-2)15-12-18/h3-4,7,9,11-12,14-15,19H,5-6,8,10,13,16H2,1-2H3,(H,23,25)/t19-/m0/s1


name: 6-Pentadecyl-1,3,5-triazine-2,4-diamine
cas: 37623-51-1
chemspiderid: 10143865
dtxsid: DTXSID00191063
formula: C18H35N5
inchikey: JZSZJXLPSQTWSS-UHFFFAOYSA-N
norman_susdat_id: NS00030232
pubchem_cid: 11970482
smiles: CCCCCCCCCCCCCCCc1nc(N)nc(N)n1
inchi:
InChI=1S/C18H35N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17(19)23-18(20)22-16/h2-15H2,1H3,(H4,19,20,21,22,23)


name: Diphenylammonium sodium sulphite
cas: 37625-49-3
formula: C12H11N.H2O3S.Na
inchikey: IPVOGZPLQLHPIG-UHFFFAOYSA-M
norman_susdat_id: NS00088433
smiles: [Na+].[O-]S(=O)[O-].[NH2+](c1ccccc1)c2ccccc2
inchi:
InChI=1/C12H11N.Na.H2O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;1-4(2)3/h1-10,13H;;(H2,1,2,3)/q;+1;/p-1


name: Benzamide, N-(2,4-dinitrophenyl)-4-nitro-
cas: 37632-91-0
chemspiderid: 187819
dtxsid: DTXSID70191070
formula: C13H8N4O7
inchikey: HNTAKXSYJOAFSG-UHFFFAOYSA-N
norman_susdat_id: NS00030233
pubchem_cid: 216712
smiles: [O-][N+](=O)c1ccc(cc1)C(=O)Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C13H8N4O7/c18-13(8-1-3-9(4-2-8)15(19)20)14-11-6-5-10(16(21)22)7-12(11)17(23)24/h1-7H,(H,14,18)


name: Maraviroc
cas: 376348-65-1
chemspiderid: 2273675
dtxsid: DTXSID8048949
formula: C29H41F2N5O1
inchikey: GSNHKUDZZFZSJB-HLMSNRGBSA-N
norman_susdat_id: NS00009459
pubchem_cid: 3002977
smiles: CC(C)c1nnc(C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
inchi:
InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25?,26-/m0/s1


name: 4,4-Difluoro-N-[(1S)-3-hydroxy-1-phenylpropyl]cyclohexanecarboxamide
cas: 376348-77-5
chemspiderid: 7990480
formula: C16H21F2N1O2
inchikey: OOIJZFMUKIGIRX-UHFFFAOYSA-N
norman_susdat_id: NS00006067
pubchem_cid: 18758299
smiles: OCCC(NC(=O)C1CCC(F)(F)CC1)c1ccccc1
inchi:
InChI=1S/C16H21F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,13-14,20H,6-11H2,(H,19,21)


name: 4,4-Difluoro-N-[(1S)-3-oxo-1-phenylpropyl]cyclohexanecarboxamide
cas: 376348-78-6
chemspiderid: 8054897
formula: C16H19F2N1O2
inchikey: FCEMFOOGKQYYIR-UHFFFAOYSA-N
norman_susdat_id: NS00004427
pubchem_cid: 18758309
smiles: FC1(F)CCC(CC1)C(=O)NC(CC=O)c1ccccc1
inchi:
InChI=1S/C16H19F2NO2/c17-16(18)9-6-13(7-10-16)15(21)19-14(8-11-20)12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2,(H,19,21)


cas: 376364-33-9
dtxsid: DTXSID90882675
norman_susdat_id: NS00112002
name:
Alcohols, C8-14, .gamma.-.omega.-perfluoro, polymers with .alpha.-fluoro-.omega.-[2-[(2-methyl-1-oxo-2propenyl)oxy]ethyl]poly(difluoromethylene), methanol, stearyl acrylate, stearyl methacrylate, 2,4-TDI and vinyl chloride


name: 4,9-Dimethoxy-7-(nonafluorobutyl)-5H-furo[3,2-g][1]benzopyran-5-one
cas: 376380-66-4
dtxsid: DTXSID80896261
formula: C17H9F9O5
inchikey: BVUOXVSHTGNMRR-UHFFFAOYSA-N
norman_susdat_id: NS00111803
smiles: COc1c2C(=O)C=C(Oc2c(OC)c2occc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H9F9O5/c1-28-10-6-3-4-30-11(6)13(29-2)12-9(10)7(27)5-8(31-12)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-5H,1-2H3


name: 7-(Heptafluoropropyl)-7-hydroxy-4,9-dimethoxy-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one
cas: 376380-76-6
dtxsid: DTXSID10896274
formula: C16H11F7O6
inchikey: YOOBVPCHJTZLKY-UHFFFAOYSA-N
norman_susdat_id: NS00109405
smiles: COc1c2C(=O)CC(O)(Oc2c(OC)c2occc12)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C16H11F7O6/c1-26-9-6-3-4-28-10(6)12(27-2)11-8(9)7(24)5-13(25,29-11)14(17,18)15(19,20)16(21,22)23/h3-4,25H,5H2,1-2H3


name: 7-Hydroxy-4,9-dimethoxy-7-(nonafluorobutyl)-6,7-dihydro-5H-furo[3,2-g][1]benzopyran-5-one
cas: 376382-61-5
dtxsid: DTXSID30896276
formula: C17H11F9O6
inchikey: LYIZXAZAVJKRNW-UHFFFAOYSA-N
norman_susdat_id: NS00110095
smiles: COc1c2C(=O)CC(O)(Oc2c(OC)c2occc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C17H11F9O6/c1-29-9-6-3-4-31-10(6)12(30-2)11-8(9)7(27)5-13(28,32-11)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-4,28H,5H2,1-2H3


name: 7-(Heptafluoropropyl)-4,9-dimethoxy-5H-furo[3,2-g][1]benzopyran-5-one
cas: 376383-49-2
dtxsid: DTXSID60896244
formula: C16H9F7O5
inchikey: IUJJLNFUGXXBAR-UHFFFAOYSA-N
norman_susdat_id: NS00111109
smiles: COc1c2C(=O)C=C(Oc2c(OC)c2occc12)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H9F7O5/c1-25-10-6-3-4-27-11(6)13(26-2)12-9(10)7(24)5-8(28-12)14(17,18)15(19,20)16(21,22)23/h3-5H,1-2H3


name: 1,3,5-triazine-2,4,6(1H,3H,5H)-trione, compound with 1,3,5-triazine-2,4,6-triamine (1:1)
cas: 37640-57-6
dtxsid: DTXSID3068043
formula: C6H9N9O3
inchikey: ZQKXQUJXLSSJCH-UHFFFAOYSA-N
norman_susdat_id: NS00074465
smiles: NC1=NC(N)=NC(N)=N1.O=C1NC(=O)NC(=O)N1
inchi:
InChI=1S/C3H6N6.C3H3N3O3/c4-1-7-2(5)9-3(6)8-1;7-1-4-2(8)6-3(9)5-1/h(H6,4,5,6,7,8,9);(H3,4,5,6,7,8,9)


name: Aprindine
cas: 37640-71-4
chebiid: CHEBI:135370
chemspiderid: 2132
dtxsid: DTXSID3022615
formula: C22H30N2
inchikey: NZLBHDRPUJLHCE-UHFFFAOYSA-N
norman_susdat_id: NS00004164
pubchem_cid: 2218
smiles: CCN(CC)CCCN(C1Cc2ccccc2C1)c1ccccc1
inchi:
InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3


name: Ethyl 4-((4-chlorophenyl)amino)piperidine-1-carboxylate
cas: 37656-66-9
chemspiderid: 2123386
dtxsid: DTXSID10191079
formula: C14H19Cl1N2O2
inchikey: MOVXNHXUSMSOGD-UHFFFAOYSA-N
norman_susdat_id: NS00030236
pubchem_cid: 2846949
smiles: CCOC(=O)N1CCC(CC1)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C14H19ClN2O2/c1-2-19-14(18)17-9-7-13(8-10-17)16-12-5-3-11(15)4-6-12/h3-6,13,16H,2,7-10H2,1H3


cas: 376608-74-1
formula: C17H27ClN4O4S
norman_susdat_id: NS00105254
name:
2-{[(3aR,4S,6R,6aS)-6-{[5-amino-6-chloro-2-(propylsulfanyl)-4,5-dihydropyrimidin-4-yl]amino}-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol


name: 9-Butyl-8-(4-Methoxybenzyl)-9h-Purin-6-Amine
cas: 376629-53-7
dtxsid: DTXSID80415355
formula: C17H21N5O
inchikey: NVYATAJRTRFKSW-UHFFFAOYSA-N
norman_susdat_id: NS00070713
smiles: CCCCn1c(Cc2ccc(OC)cc2)nc2c(N)ncnc21
inchi:
InChI=1S/C17H21N5O/c1-3-4-9-22-14(10-12-5-7-13(23-2)8-6-12)21-15-16(18)19-11-20-17(15)22/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,20)


name: Arfendazam
cas: 37669-57-1
chemspiderid: 59219
dtxsid: DTXSID20191085
formula: C18H17Cl1N2O3
inchikey: NXJWVCHVPUCWJS-UHFFFAOYSA-N
norman_susdat_id: NS00030239
pubchem_cid: 65803
smiles: CCOC(=O)N1CCC(=O)N(c2ccccc2)c2c1ccc(Cl)c2
inchi:
InChI=1S/C18H17ClN2O3/c1-2-24-18(23)20-11-10-17(22)21(14-6-4-3-5-7-14)16-12-13(19)8-9-15(16)20/h3-9,12H,2,10-11H2,1H3


name: 2-[4-[2-(benzoxazol-2-yl)vinyl]phenyl]-5-methylbenzoxazole
cas: 3767-59-7
formula: C23H16N2O2
inchikey: DVYLUICLRMFHRU-UKTHLTGXSA-N
norman_susdat_id: NS00045869
pubchem_cid: 6437308
smiles: N1=C(OC=2C=CC=CC12)C=CC=3C=CC(=CC3)C4=NC5=CC(=CC=C5O4)C
inchi:
InChI=1/C23H16N2O2/c1-15-6-12-21-19(14-15)25-23(27-21)17-10-7-16(8-11-17)9-13-22-24-18-4-2-3-5-20(18)26-22/h2-14H,1H3


name: 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-
cas: 3767-68-8
chemspiderid: 69794
dtxsid: DTXSID8063173
formula: C21H12N2O2S2
inchikey: LZBSRGGBVAHAED-UHFFFAOYSA-N
norman_susdat_id: NS00030259
pubchem_cid: 77380
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Sc2nc3c(s2)cccc3)cc1
inchi:
InChI=1S/C21H12N2O2S2/c22-13-9-10-16(27-21-23-14-7-3-4-8-15(14)26-21)18-17(13)19(24)11-5-1-2-6-12(11)20(18)25/h1-10H,22H2


name: 6-hydroxy-5-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid
cas: 37672-58-5
formula: C17H14N2O7S2
inchikey: RNOYGEAADAPOKB-UHFFFAOYSA-N
norman_susdat_id: NS00056646
pubchem_cid: 3015927
smiles: O=S(=O)(O)C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(C=C3C)S(=O)(=O)O)=C1
inchi:
InChI=1/C17H14N2O7S2/c1-10-8-12(27(21,22)23)4-6-15(10)18-19-17-14-5-3-13(28(24,25)26)9-11(14)2-7-16(17)20/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26)


name: Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-
cas: 37672-70-1
chemspiderid: 148619
dtxsid: DTXSID8068044
formula: C24H19Cl2N5O4
inchikey: SAOBGDZFYGSXJC-UHFFFAOYSA-N
norman_susdat_id: NS00021143
pubchem_cid: 169948
smiles: [O-][N+](=O)c1cc(Cl)c(N=Nc2ccc(cc2)N(CCOC(=O)c2ccccc2)CCC#N)c(Cl)c1
inchi:
InChI=1S/C24H19Cl2N5O4/c25-21-15-20(31(33)34)16-22(26)23(21)29-28-18-7-9-19(10-8-18)30(12-4-11-27)13-14-35-24(32)17-5-2-1-3-6-17/h1-3,5-10,15-16H,4,12-14H2/b29-28+


name: [2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride
cas: 37672-77-8
formula: C20H26N6O2
inchikey: SCNFZRUMIZRHGT-UHFFFAOYSA-M
norman_susdat_id: NS00056647
pubchem_cid: 21149433
smiles: [Cl-].N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)C)[N+](=O)[O-]
inchi:
InChI=1/C20H25N6O2.ClH/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;/h6-11,14H,5,12-13H2,1-4H3;1H/q+1;/p-1


name: Barium bis[p-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]benzenesulphonate]
cas: 37672-83-6
formula: C16H14N4O4S.1/2Ba
inchikey: UEDMVTUCTFQATH-UHFFFAOYSA-L
norman_susdat_id: NS00088721
inchi:
InChI=1/2C16H14N4O4S.Ba/c2*1-11-15(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*2-10,15H,1H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O.[O-]S(=O)(=O)c1ccc(cc1)N3/N=C(/C)C(N=Nc2ccccc2)C3=O


name: Cetyl PCA
cas: 37673-20-4
chemspiderid: 18755162
dtxsid: DTXSID60191089
formula: C21H39N1O3
inchikey: BJXKLGPZWDKIHU-IBGZPJMESA-N
norman_susdat_id: NS00030240
pubchem_cid: 18654323
smiles: CCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-21(24)19-16-17-20(23)22-19/h19H,2-18H2,1H3,(H,22,23)/t19-/m0/s1


name: Nonyl 5-oxo-L-prolinate
cas: 37673-22-6
chemspiderid: 18755163
dtxsid: DTXSID70191090
formula: C14H25N1O3
inchikey: ZLOYQBAMRXWHFZ-LBPRGKRZSA-N
norman_susdat_id: NS00030241
pubchem_cid: 18654324
smiles: CCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C14H25NO3/c1-2-3-4-5-6-7-8-11-18-14(17)12-9-10-13(16)15-12/h12H,2-11H2,1H3,(H,15,16)/t12-/m1/s1


name: Decyl 5-oxo-L-prolinate
cas: 37673-23-7
chemspiderid: 18586637
dtxsid: DTXSID30191091
formula: C15H27N1O3
inchikey: YWXABWYIMLHFSQ-ZDUSSCGKSA-N
norman_susdat_id: NS00030242
pubchem_cid: 22839298
smiles: CCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)/t13-/m0/s1


name: Undecyl 5-oxo-L-prolinate
cas: 37673-24-8
chemspiderid: 18595077
dtxsid: DTXSID90191092
formula: C16H29N1O3
inchikey: XWCIHBWSVCHGIS-AWEZNQCLSA-N
norman_susdat_id: NS00030243
pubchem_cid: 22840771
smiles: CCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-13-20-16(19)14-11-12-15(18)17-14/h14H,2-13H2,1H3,(H,17,18)/t14-/m1/s1


name: Tridecyl 5-oxo-L-prolinate
cas: 37673-26-0
dtxsid: DTXSID50958709
formula: C18H33NO3
inchikey: OZOVXOAZDQCMAM-INIZCTEOSA-N
norman_susdat_id: NS00057991
pubchem_cid: 22840769
smiles: O=C1NC(C(=O)OCCCCCCCCCCCCC)CC1
inchi:
InChI=1/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-22-18(21)16-13-14-17(20)19-16/h16H,2-15H2,1H3,(H,19,20)


name: Myristyl PCA
cas: 37673-27-1
chemspiderid: 18595073
dtxsid: DTXSID50191093
formula: C19H35N1O3
inchikey: PMWMXMYOKCFDIB-KRWDZBQOSA-N
norman_susdat_id: NS00030244
pubchem_cid: 22840767
smiles: CCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-23-19(22)17-14-15-18(21)20-17/h17H,2-16H2,1H3,(H,20,21)/t17-/m0/s1


name: Pentadecyl 5-oxo-L-prolinate
cas: 37673-28-2
chemspiderid: 21230086
dtxsid: DTXSID10191094
formula: C20H37N1O3
inchikey: LRRMPIXOZBIOGX-SFHVURJKSA-N
norman_susdat_id: NS00030245
pubchem_cid: 56842363
smiles: CCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h18H,2-17H2,1H3,(H,21,22)/t18-/m1/s1


name: 1-Methylpentadecyl 5-oxo-L-prolinate
cas: 37673-29-3
chemspiderid: 21230087
dtxsid: DTXSID70191095
formula: C21H39N1O3
inchikey: XPTUNYJQBDNKTK-GGYWPGCISA-N
norman_susdat_id: NS00030246
pubchem_cid: 56842364
smiles: CCCCCCCCCCCCCCC(C)OC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)/t18-,19-/m1/s1


name: 1-Ethyltetradecyl 5-oxo-L-prolinate
cas: 37673-30-6
chemspiderid: 21230088
dtxsid: DTXSID30191096
formula: C21H39N1O3
inchikey: GYCALDUKXYELNL-GGYWPGCISA-N
norman_susdat_id: NS00030247
pubchem_cid: 56842365
smiles: CCCCCCCCCCCCCC(CC)OC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C21H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-18(4-2)25-21(24)19-16-17-20(23)22-19/h18-19H,3-17H2,1-2H3,(H,22,23)/t18-,19+/m1/s1


name: Heptadecyl 5-oxo-L-prolinate
cas: 37673-31-7
chemspiderid: 18595079
dtxsid: DTXSID90191097
formula: C22H41N1O3
inchikey: MUQMLVOIALCMNZ-FQEVSTJZSA-N
norman_susdat_id: NS00030248
pubchem_cid: 22840772
smiles: CCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-22(25)20-17-18-21(24)23-20/h20H,2-19H2,1H3,(H,23,24)/t20-/m1/s1


name: 1-octylnonyl 5-oxo-L-prolinate
cas: 37673-32-8
formula: C22H41NO3
inchikey: JSEKZIVVPNHCBT-FQEVSTJZSA-N
norman_susdat_id: NS00057992
pubchem_cid: 57349501
smiles: O=C1NC(C(=O)OC(CCCCCCCC)CCCCCCCC)CC1
inchi:
InChI=1/C22H41NO3/c1-3-5-7-9-11-13-15-19(16-14-12-10-8-6-4-2)26-22(25)20-17-18-21(24)23-20/h19-20H,3-18H2,1-2H3,(H,23,24)


name: 1-Ethylhexadecyl 5-oxo-L-prolinate
cas: 37673-34-0
chemspiderid: 21230090
dtxsid: DTXSID50191098
formula: C23H43N1O3
inchikey: NWUNYLUHOJITCS-LBAQZLPGSA-N
norman_susdat_id: NS00030249
pubchem_cid: 56842418
smiles: CCCCCCCCCCCCCCCC(CC)OC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C23H43NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(4-2)27-23(26)21-18-19-22(25)24-21/h20-21H,3-19H2,1-2H3,(H,24,25)/t20-,21-/m1/s1


name: Nonadecyl 5-oxo-L-prolinate
cas: 37673-35-1
chemspiderid: 21230091
dtxsid: DTXSID10191099
formula: C24H45N1O3
inchikey: WYKNPRLDNHMSHZ-QFIPXVFZSA-N
norman_susdat_id: NS00030250
pubchem_cid: 56842419
smiles: CCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(27)22-19-20-23(26)25-22/h22H,2-21H2,1H3,(H,25,26)/t22-/m1/s1


name: Icosyl 5-oxo-L-prolinate
cas: 37673-36-2
chemspiderid: 21230092
dtxsid: DTXSID60191100
formula: C25H47N1O3
inchikey: XZXIMDVKCYRCBQ-QHCPKHFHSA-N
norman_susdat_id: NS00030251
pubchem_cid: 54497170
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C25H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29-25(28)23-20-21-24(27)26-23/h23H,2-22H2,1H3,(H,26,27)/t23-/m1/s1


name: 2-Octyldodecyl 5-oxo-L-prolinate
cas: 37673-37-3
chemspiderid: 18755158
dtxsid: DTXSID20191101
formula: C25H47N1O3
inchikey: HQWLBRJUMWPIOA-WCSIJFPASA-N
norman_susdat_id: NS00030252
pubchem_cid: 18654320
smiles: CCCCCCCCCCC(CCCCCCCC)COC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C25H47NO3/c1-3-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-4-2)21-29-25(28)23-19-20-24(27)26-23/h22-23H,3-21H2,1-2H3,(H,26,27)/t22-,23-/m0/s1


name: Pyroglutamyl behenate
cas: 37673-38-4
chemspiderid: 21230093
dtxsid: DTXSID80191102
formula: C27H51N1O3
inchikey: GKCVFDIGISJVBA-VWLOTQADSA-N
norman_susdat_id: NS00030253
pubchem_cid: 56842420
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C27H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-27(30)25-22-23-26(29)28-25/h25H,2-24H2,1H3,(H,28,29)/t25-/m1/s1


name: Tricosyl 5-oxo-L-prolinate
cas: 37673-39-5
chemspiderid: 21230094
dtxsid: DTXSID40191103
formula: C28H53N1O3
inchikey: PGSABEJBUAHFIK-SANMLTNESA-N
norman_susdat_id: NS00030254
pubchem_cid: 56842421
smiles: CCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C28H53NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-32-28(31)26-23-24-27(30)29-26/h26H,2-25H2,1H3,(H,29,30)/t26-/m0/s1


name: Tetracosyl 5-oxo-L-prolinate
cas: 37673-40-8
chemspiderid: 21230095
dtxsid: DTXSID00191104
formula: C29H55N1O3
inchikey: GNYRACNVVQQBII-MHZLTWQESA-N
norman_susdat_id: NS00030255
pubchem_cid: 56842485
smiles: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C29H55NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-33-29(32)27-24-25-28(31)30-27/h27H,2-26H2,1H3,(H,30,31)/t27-/m1/s1


name: Hexacosyl 5-oxo-L-prolinate
cas: 37673-41-9
chemspiderid: 21230096
dtxsid: DTXSID60191105
formula: C31H59N1O3
inchikey: ICAHUYHJMWQWCZ-LJAQVGFWSA-N
norman_susdat_id: NS00030256
pubchem_cid: 56842486
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C31H59NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-28-35-31(34)29-26-27-30(33)32-29/h29H,2-28H2,1H3,(H,32,33)/t29-/m0/s1


name: Benzenesulfonic acid, 4-[[4-[(2-hydroxy-1-naphthalenyl)azo]phenyl]azo]-
cas: 37678-79-8
chemspiderid: 4814456
dtxsid: DTXSID8068046
formula: C22H16N4O4S1
inchikey: LEYJJTBJCFGAQN-UHFFFAOYSA-N
norman_susdat_id: NS00030261
pubchem_cid: NA
smiles: OS(=O)(=O)c1ccc(cc1)N=Nc1ccc(N/N=C/2C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C22H16N4O4S/c27-21-14-5-15-3-1-2-4-20(15)22(21)26-25-17-8-6-16(7-9-17)23-24-18-10-12-19(13-11-18)31(28,29)30/h1-14,25H,(H,28,29,30)/b24-23+,26-22-


name: 4,4'-bis[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid
cas: 37678-92-5
dtxsid: DTXSID20958716
formula: C32H28N6O10S2
inchikey: NHVRARFGUBOUQJ-UHFFFAOYSA-N
norman_susdat_id: NS00056667
pubchem_cid: 56842487
inchi:
InChI=1/C32H28N6O10S2/c1-19(39)29(31(41)33-21-9-5-3-6-10-21)37-35-23-13-15-25(27(17-23)49(43,44)45)26-16-14-24(18-28(26)50(46,47)48)36-38-30(20(2)40)32(42)34-22-11-7-4-8-12-22/h3-18,29-30H,1-2H3,(H,33,41)(H,34,42)(H,43,44,45)(H,46,47,48)

smiles:
O=C(NC=1C=CC=CC1)C(N=NC=2C=CC(C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=O)C


name: Adenosine 5'-[hydrogen (phosphonomethyl)phosphonate]
cas: 3768-14-7
dtxsid: DTXSID80958717
formula: C11H17N5O9P2
inchikey: OLCWZBFDIYXLAA-UHFFFAOYSA-N
norman_susdat_id: NS00046487
pubchem_cid: 4798
smiles: O=P(O)(O)CP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
inchi:
InChI=1/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)


name: N4-Acetylcytidine
cas: 3768-18-1
chebiid: CHEBI:70989
chemspiderid: 96702
formula: C11H15N3O6
inchikey: NIDVTARKFBZMOT-PEBGCTIMSA-N
norman_susdat_id: NS00014881
pubchem_cid: 107461
smiles: O=C(N/C/1=N/C(=O)N(C=C1)C2OC(C(O)C2O)CO)C
inchi:
InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9-,10-/m1/s1


name: Terguride
cas: 37686-84-3
chebiid: CHEBI:32193
chemspiderid: 392004
dtxsid: DTXSID3045809
formula: C20H28N4O1
inchikey: JOAHPSVPXZTVEP-YXJHDRRASA-N
norman_susdat_id: NS00030264
pubchem_cid: 443951
smiles: OC(=O)/C=CC(=O)O.CCN(CC)C(=O)NC1CC2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
inchi:
InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16-,18-/m0/s1


name: Acetamide, N,N'-(9,10-dihydro-4,8-dinitro-9,10-dioxo-1,5-anthracenediyl)bis-
cas: 37686-98-9
chemspiderid: 4590289
dtxsid: DTXSID8068048
formula: C18H12N4O8
inchikey: MTDCGWVJCYAZBO-UHFFFAOYSA-N
norman_susdat_id: NS00030265
pubchem_cid: 5490175
smiles: CC(=O)Nc1ccc(c2c1C(=O)c1c(ccc(NC(=O)C)c1C2=O)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H12N4O8/c1-7(23)19-9-3-5-11(21(27)28)15-13(9)17(25)16-12(22(29)30)6-4-10(20-8(2)24)14(16)18(15)26/h3-6H,1-2H3,(H,19,23)(H,20,24)


name: Ethanol, 2,2'-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bis-
cas: 3769-57-1
chemspiderid: 18454
dtxsid: DTXSID3063178
formula: C17H19Cl1N4O4
inchikey: NBEXAEYARUBYDV-UHFFFAOYSA-N
norman_susdat_id: NS00021144
pubchem_cid: 19590
smiles: Cc1cc(ccc1N=Nc1ccc(cc1Cl)[N+](=O)[O-])N(CCO)CCO
inchi:
InChI=1S/C17H19ClN4O4/c1-12-10-13(21(6-8-23)7-9-24)2-4-16(12)19-20-17-5-3-14(22(25)26)11-15(17)18/h2-5,10-11,23-24H,6-9H2,1H3/b20-19+


name: Disodium 5-amino-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate
cas: 3769-61-7
formula: C16H13N5O12S2
inchikey: BQGYUNGTFSKSJF-UHFFFAOYSA-L
norman_susdat_id: NS00045253
pubchem_cid: 135755573
inchi:
InChI=1/C16H11N5O12S2.2Na/c17-9-5-8(34(28,29)30)1-6-2-12(35(31,32)33)14(16(23)13(6)9)19-18-10-3-7(20(24)25)4-11(15(10)22)21(26)27;;/h1-5,22-23H,17H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC(N=NC2=C(O)C3=C(N)C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])=C(O)C(=C1)[N+](=O)[O-]


name: 5-amino-3-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid
cas: 3769-62-8
formula: C16H12ClN4O10S2
inchikey: YWVCYGLMOFNBMY-UHFFFAOYSA-N
norman_susdat_id: NS00045932
pubchem_cid: 135406014
smiles: O=[N+]([O-])C1=CC(Cl)=C(O)C(N=NC2=C(O)C3=C(N)C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)=C1
inchi:
InChI=1/C16H11ClN4O10S2/c17-9-3-7(21(24)25)4-11(15(9)22)19-20-14-12(33(29,30)31)2-6-1-8(32(26,27)28)5-10(18)13(6)16(14)23/h1-5,22-23H,18H2,(H,26,27,28)(H,29,30,31)


cas: 37691-11-5
dtxsid: DTXSID40958733
formula: C27H46N10O6
inchikey: GKPZSJWKEUGUTJ-BBOVISDGSA-N
norman_susdat_id: NS00057075
pubchem_cid: NA
smiles: O=CC(NC(=O)C(NC(=O)C(NC(=O)NCCC1(C=CC=CC1)C(=O)O)CCCNC(=N)N)C(C)C)CCCNC(=N)N
name:
N2-[[(1-carboxyphenethyl)amino]carbonyl]-L-arginyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-L-valinamide

inchi:
InChI=1/C27H46N10O6/c1-17(2)20(22(40)35-18(16-38)8-6-13-32-24(28)29)37-21(39)19(9-7-14-33-25(30)31)36-26(43)34-15-12-27(23(41)42)10-4-3-5-11-27/h3-5,10,16-20H,6-9,11-15H2,1-2H3,(H,35,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,34,36,43)


name: Clofoctol
cas: 37693-01-9
chebiid: CHEBI:108581
chemspiderid: 2697
dtxsid: DTXSID5045889
formula: C21H26Cl2O1
inchikey: HQVZOORKDNCGCK-UHFFFAOYSA-N
norman_susdat_id: NS00011739
pubchem_cid: 2799
smiles: CC(C)(C)CC(C)(C)c1ccc(c(c1)Cc2ccc(cc2Cl)Cl)O
inchi:
InChI=1S/C21H26Cl2O/c1-20(2,3)13-21(4,5)16-7-9-19(24)15(11-16)10-14-6-8-17(22)12-18(14)23/h6-9,11-12,24H,10,13H2,1-5H3


name: N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
cas: 37696-83-6
dtxsid: DTXSID30896019
formula: C12H10F15NO
inchikey: CWRVUMYBNHZJOL-UHFFFAOYSA-N
norman_susdat_id: NS00110069
smiles: CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H10F15NO/c1-2-3-4-28-5(29)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3,(H,28,29)


name: N-Dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
cas: 37696-86-9
dtxsid: DTXSID00896066
formula: C20H26F15NO
inchikey: DJXYIBRHPIHIPY-UHFFFAOYSA-N
norman_susdat_id: NS00109022
smiles: CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H26F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-36-13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3,(H,36,37)


name: Phenprocoumon
cas: 3770-63-6
dtxsid: DTXSID20191141
formula: C18H16O3
inchikey: DQDAYGNAKTZFIW-ZDUSSCGKSA-N
norman_susdat_id: NS00099405
pubchem_cid: 54681533
smiles: CC[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
inchi:
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m0/s1


name: Su9516
cas: 377090-84-1
dtxsid: DTXSID50648017
formula: C13H11N3O2
inchikey: QNUKRWAIZMBVCU-WCIBSUBMSA-N
norman_susdat_id: NS00071071
pubchem_cid: 5289419
smiles: COc1ccc2c(c1)/C(=C/c1c[nH]cn1)C(=O)N2
inchi:
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-


name: Benzenamine, 4-[(6-methoxy-2-benzothiazolyl)azo]-N,N-dimethyl-
cas: 3771-31-1
chemspiderid: 69803
dtxsid: DTXSID7063182
formula: C16H16N4O1S1
inchikey: AVPFTROGVGTTEC-UHFFFAOYSA-N
norman_susdat_id: NS00030274
pubchem_cid: 77390
smiles: COc1cc2c(cc1)nc(s2)N=Nc1ccc(cc1)N(C)C
inchi:
InChI=1S/C16H16N4OS/c1-20(2)12-6-4-11(5-7-12)18-19-16-17-14-9-8-13(21-3)10-15(14)22-16/h4-10H,1-3H3/b19-18+


name: [2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate
cas: 37713-38-5
formula: C19H24Cl2N5O2.CH3O4S
inchikey: OMAWCUOTEHMCOL-UHFFFAOYSA-M
norman_susdat_id: NS00089194
smiles: Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC
inchi:
InChI=1/C19H24Cl2N5O2.CH4O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5-6(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2,4-Xylenol, 6,6'-butylidenebis-
cas: 3772-23-4
chemspiderid: 69804
dtxsid: DTXSID30191152
formula: C20H26O2
inchikey: WIDWYXNFFSBCFM-UHFFFAOYSA-N
norman_susdat_id: NS00030278
pubchem_cid: 77391
smiles: Cc1cc(CCCCc2c(O)c(C)cc(C)c2)c(O)c(C)c1
inchi:
InChI=1S/C20H26O2/c1-13-9-15(3)19(21)17(11-13)7-5-6-8-18-12-14(2)10-16(4)20(18)22/h9-12,21-22H,5-8H2,1-4H3


name: butoxycaine
cas: 3772-43-8
chemspiderid: 15997
formula: C17H27N1O3
inchikey: QNIUOGIMJWORNZ-UHFFFAOYSA-N
norman_susdat_id: NS00007026
pubchem_cid: 16882
smiles: CCCCOc1ccc(cc1)C(=O)OCCN(CC)CC
inchi:
InChI=1S/C17H27NO3/c1-4-7-13-20-16-10-8-15(9-11-16)17(19)21-14-12-18(5-2)6-3/h8-11H,4-7,12-14H2,1-3H3


name: 2-[[7-[(2-arsonophenyl)azo]-1,8-dihydroxy-3,6-disulpho-2-naphthyl]azo]benzoic acid
cas: 3772-44-9
formula: C23H17AsN4O13S2
inchikey: RZYBKUZTYOBWAB-UHFFFAOYSA-N
norman_susdat_id: NS00081754
smiles: O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S(O)(=O)=O)cc(c(N=Nc2ccccc2C(O)=O)c3O)S(O)(=O)=O
inchi:
InChI=1/C23H17AsN4O13S2/c29-21-18-11(9-16(42(36,37)38)19(21)27-25-14-7-3-1-5-12(14)23(31)32)10-17(43(39,40)41)20(22(18)30)28-26-15-8-4-2-6-13(15)24(33,34)35/h1-10,29-30H,(H,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41)


name: Dehydroabietol
cas: 3772-55-2
chemspiderid: 96442
dtxsid: DTXSID80858748
formula: C20H30O1
inchikey: WSKGRAGZAQRSED-UHFFFAOYSA-N
norman_susdat_id: NS00006745
pubchem_cid: 107171
smiles: CC(C)c1ccc2c(CCC3C(C)(CO)CCCC23C)c1
inchi:
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3


name: Sulfamethomidine
cas: 3772-76-7
chebiid: CHEBI:32163
chemspiderid: 18460
dtxsid: DTXSID0023616
formula: C12H14N4O3S1
inchikey: QKLSCPPJEVXONT-UHFFFAOYSA-N
norman_susdat_id: NS00011878
pubchem_cid: 19596
smiles: Cc1nc(cc(n1)OC)NS(=O)(=O)c2ccc(cc2)N
inchi:
InChI=1S/C12H14N4O3S/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10/h3-7H,13H2,1-2H3,(H,14,15,16)


name: Pentachlorophenyl laurate
cas: 3772-94-9
chemspiderid: 56298
dtxsid: DTXSID9058078
formula: C18H23Cl5O2
inchikey: MKNJWAXSYGAMGJ-UHFFFAOYSA-N
norman_susdat_id: NS00022119
pubchem_cid: 62524
smiles: CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C18H23Cl5O2/c1-2-3-4-5-6-7-8-9-10-11-12(24)25-18-16(22)14(20)13(19)15(21)17(18)23/h2-11H2,1H3


name: N-(5,10,15,16-tetrahydro-5,10,15-trioxoanthra[2,1,9-mna]naphth[2,3-h]acridin-11-yl)benzamide
cas: 3772-98-3
dtxsid: DTXSID2063185
formula: C38H20N2O4
inchikey: MLXIUWALSIPJQP-UHFFFAOYSA-N
norman_susdat_id: NS00045942
pubchem_cid: NA
smiles: O=C(NC1=CC=CC=2C(=O)C3=C(C=CC=4C5=CC=C6C(=O)C=7C=CC=CC7C=8C=CC(NC43)=C5C68)C(=O)C12)C=9C=CC=CC9
inchi:
InChI=1/C38H20N2O4/c41-35-24-10-5-4-9-20(24)21-17-18-29-31-22(13-15-26(35)30(21)31)23-14-16-27-33(34(23)39-29)37(43)25-11-6-12-28(32(25)36(27)42)40-38(44)19-7-2-1-3-8-19/h1-18,39H,(H,40,44)


name: Rhodojaponin V
cas: 37720-86-8
chemspiderid: 101316847
formula: C22H34O7
inchikey: OHDPFRGZBUACTR-JOIIKWRGSA-N
norman_susdat_id: NS00093921
pubchem_cid: 57257145
smiles:
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)[C@H]5[C@@H](C4(C)C)O5)O)O)C[C@@]2(C)O


name: Iopronic acid
cas: 37723-78-7
chebiid: CHEBI:135869
chemspiderid: 34680
formula: C15H18I3N1O5
inchikey: YMFIJXDFAPHJIN-UHFFFAOYSA-N
norman_susdat_id: NS00030280
pubchem_cid: 37822
smiles: CCC(COCCOc1c(cc(c(c1I)NC(=O)C)I)I)C(=O)O
inchi:
InChI=1S/C15H18I3NO5/c1-3-9(15(21)22)7-23-4-5-24-14-11(17)6-10(16)13(12(14)18)19-8(2)20/h6,9H,3-5,7H2,1-2H3,(H,19,20)(H,21,22)/t9-/m0/s1


name: Glutathionesulfonic acid
cas: 3773-07-7
dtxsid: DTXSID00274401
formula: C10H17N3O9S
inchikey: QGWRMTHFAZVWAM-WDSKDSINSA-N
norman_susdat_id: NS00068694
pubchem_cid: 444104
smiles: N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O
inchi:
InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1


name: 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[5-butylbenzenesulphonic] acid
cas: 3773-10-2
formula: C34H34N2O8S2
inchikey: SMKDEHYKQHEJBM-UHFFFAOYSA-N
norman_susdat_id: NS00045943
pubchem_cid: 77401
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC(=CC=C4S(=O)(=O)O)CCCC)C13)NC5=CC(=CC=C5S(=O)(=O)O)CCCC
inchi:
InChI=1/C34H34N2O8S2/c1-3-5-9-21-13-17-29(45(39,40)41)27(19-21)35-25-15-16-26(32-31(25)33(37)23-11-7-8-12-24(23)34(32)38)36-28-20-22(10-6-4-2)14-18-30(28)46(42,43)44/h7-8,11-20,35-36H,3-6,9-10H2,1-2H3,(H,39,40,41)(H,42,43,44)


name: Potassium 9,10-dihydroxystearate
cas: 37734-46-6
formula: C18H36O4.K
inchikey: XHOZQCYYJHFVMH-UHFFFAOYSA-M
norman_susdat_id: NS00088966
smiles: [K+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O4.K/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1


name: (dihydro-3,3-diphenyl-3H-furan-2-ylidene)dimethylammonium bromide
cas: 37743-18-3
dtxsid: DTXSID80958777
formula: C18H20NO
inchikey: QJPXLCQSAFQCBD-UHFFFAOYSA-M
norman_susdat_id: NS00056297
pubchem_cid: 2723589
smiles: [Br-].O1C(=[N+](C)C)C(C=2C=CC=CC2)(C=3C=CC=CC3)CC1
inchi:
InChI=1/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1


name: SODIUM MYRISTOYL ISETHIONATE
cas: 37747-10-7
chemspiderid: 2341698
formula: C16H32O5S1
inchikey: ADLFDNOTASDSPT-UHFFFAOYSA-N
norman_susdat_id: NS00014078
pubchem_cid: 3084672
smiles: CCCCCCCCCCCCCC(=O)OCC[S](O)(=O)=O
inchi:
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(17)21-14-15-22(18,19)20/h2-15H2,1H3,(H,18,19,20)


name: 4,4'-(p-Phenylenediisopropylidene)bis(N-phenylaniline)
cas: 37748-88-2
chemspiderid: 21230103
dtxsid: DTXSID70191196
formula: C36H36N2
inchikey: VABQCMJQYHCYDE-UHFFFAOYSA-N
norman_susdat_id: NS00030286
pubchem_cid: 56842545
smiles: CC(C)(c1ccc(Nc2ccccc2)cc1)c1ccc(cc1)C(C)(C)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C36H36N2/c1-35(2,29-19-23-33(24-20-29)37-31-11-7-5-8-12-31)27-15-17-28(18-16-27)36(3,4)30-21-25-34(26-22-30)38-32-13-9-6-10-14-32/h5-26,37-38H,1-4H3


name: Glycine, N-(carboxymethyl)-N-(1-oxododecyl)-
cas: 3775-51-7
chemspiderid: 69817
dtxsid: DTXSID7063186
formula: C16H29N1O5
inchikey: PCNAKWUTWPAVMZ-UHFFFAOYSA-N
norman_susdat_id: NS00030288
pubchem_cid: 77405
smiles: CCCCCCCCCCCC(=O)N(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)


name: (R)-1-Carboxy-3-methylbutyl 5-oxo-L-prolinate
cas: 37755-50-3
chemspiderid: 18503152
dtxsid: DTXSID20191202
formula: C11H17N1O5
inchikey: BLRNKJDBDKWEAL-JGVFFNPUSA-N
norman_susdat_id: NS00030289
pubchem_cid: 22789944
smiles: CC(C)CC(OC(=O)C1CCC(=O)N1)C(=O)O
inchi:
InChI=1S/C11H17NO5/c1-6(2)5-8(10(14)15)17-11(16)7-3-4-9(13)12-7/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1


cas: 37759-88-9
formula: C14H1F29O1
inchikey: TXMPTAHATHTQKU-UHFFFAOYSA-N
norman_susdat_id: NS00001113
pubchem_cid: 20977797
name:
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecan-1-ol (12:2 FTOH)

inchi:
InChI=1S/C14HF29O/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44/h44H

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


name: Racemomycin D
cas: 3776-36-1
chemspiderid: 8232080
formula: C37H70N14O11
inchikey: UZMKRCMBWWXPBP-ITOBAMBSSA-N
norman_susdat_id: NS00011793
pubchem_cid: 10056522
inchi:
InChI=1S/C37H70N14O11/c38-9-1-5-19(39)13-25(54)44-10-2-6-20(40)14-26(55)45-11-3-7-21(41)15-27(56)46-12-4-8-22(42)16-28(57)48-31-32(58)33(62-36(43)60)24(18-52)61-35(31)51-37-49-29-23(53)17-47-34(59)30(29)50-37/h19-24,29-33,35,52-53,58H,1-18,38-42H2,(H2,43,60)(H,44,54)(H,45,55)(H,46,56)(H,47,59)(H,48,57)(H2,49,50,51)/t19?,20?,21?,22?,23-,24-,29-,30+,31-,32+,33+,35-/m1/s1

smiles:
O=C(NCCCC(N)CC(=O)NCCCC(N)CC(=O)NCCCC(N)CC(=O)N[C@@H]3[C@H](O)[C@@H](OC(=O)N)[C@H](O[C@H]3N/C1=N/[C@@H]2C(=O)NC[C@@H](O)[C@H]2N1)CO)CC(N)CCCN


name: Racemomycin B
cas: 3776-37-2
chemspiderid: 8660670
formula: C31H58N12O10
inchikey: WUJTXMVGXDQPNN-QZBZYSSPSA-N
norman_susdat_id: NS00011794
pubchem_cid: 10485264
inchi:
InChI=1S/C31H58N12O10/c32-7-1-4-15(33)10-20(46)37-8-2-5-16(34)11-21(47)38-9-3-6-17(35)12-22(48)40-25-26(49)27(53-30(36)51)19(14-44)52-29(25)43-31-41-23-18(45)13-39-28(50)24(23)42-31/h15-19,23-27,29,44-45,49H,1-14,32-35H2,(H2,36,51)(H,37,46)(H,38,47)(H,39,50)(H,40,48)(H2,41,42,43)/t15?,16?,17?,18-,19-,23-,24+,25-,26+,27+,29-/m1/s1

smiles:
O=C(NCCCC(N)CC(=O)NCCCC(N)CC(=O)N[C@@H]3[C@H](O)[C@@H](OC(=O)N)[C@H](O[C@H]3N/C1=N/[C@@H]2C(=O)NC[C@@H](O)[C@H]2N1)CO)CC(N)CCCN


name: Streptolin
cas: 3776-38-3
chemspiderid: 8637083
formula: C25H46N10O9
inchikey: SCHKAKNJXBPJHD-IMGALJHYSA-N
norman_susdat_id: NS00011786
pubchem_cid: 10461671
inchi:
InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(38)30-6-2-4-12(28)8-16(39)32-19-20(40)21(44-24(29)42)14(10-36)43-23(19)35-25-33-17-13(37)9-31-22(41)18(17)34-25/h11-14,17-21,23,36-37,40H,1-10,26-28H2,(H2,29,42)(H,30,38)(H,31,41)(H,32,39)(H2,33,34,35)/t11?,12?,13-,14-,17-,18+,19-,20+,21+,23-/m1/s1

smiles:
O=C(NCCCC(N)CC(=O)N[C@@H]3[C@H](O)[C@@H](OC(=O)N)[C@H](O[C@H]3N/C1=N/[C@@H]2C(=O)NC[C@@H](O)[C@H]2N1)CO)CC(N)CCCN


name: (+)-furfurylmethyl(a-methylphenethyl)ammonium cyclohexylsulphamate
cas: 3776-92-9
formula: C15H19NO.C6H13NO3S
inchikey: AVANVRBQOCVTLV-UHFFFAOYSA-N
norman_susdat_id: NS00082057
smiles: CC(Cc1ccccc1)[NH+](C)Cc2occc2.[O-]S(=O)(=O)NC3CCCCC3
inchi:
InChI=1/C15H19NO.C6H13NO3S/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15;8-11(9,10)7-6-4-2-1-3-5-6/h3-10,13H,11-12H2,1-2H3;6-7H,1-5H2,(H,8,9,10)


name: d-Furfenorex
cas: 3776-93-0
chebiid: CHEBI:134942
chemspiderid: NA
dtxsid: DTXSID1057903
formula: C15H19N1O1
inchikey: DLGIIZAHQPTVCJ-UHFFFAOYNA-N
norman_susdat_id: NS00030292
pubchem_cid: NA
smiles: CC(Cc1ccccc1)N(C)Cc1ccco1
inchi:
InChI=1S/C15H19NO/c1-13(11-14-7-4-3-5-8-14)16(2)12-15-9-6-10-17-15/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1


name: Zaprinast
cas: 37762-06-4
chebiid: CHEBI:92215
chemspiderid: 5520
dtxsid: DTXSID8045224
formula: C13H13N5O2
inchikey: REZGGXNDEMKIQB-UHFFFAOYSA-N
norman_susdat_id: NS00015865
pubchem_cid: 5722
smiles: CCCOC1=CC=CC=C1C2=NC(=O)C3=NNNC3=N2
inchi:
InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)


name: Preladenant
cas: 377727-87-2
dtxsid: DTXSID90191219
formula: C25H29N9O3
inchikey: DTYWJKSSUANMHD-UHFFFAOYSA-N
norman_susdat_id: NS00072631
pubchem_cid: 10117987
smiles: COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1
inchi:
InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)


name: 11-Deoxy prostaglandin F1α
cas: 37785-98-1
chebiid: CHEBI:165302
formula: C20H36O4
inchikey: HYBPXYQCXNOTFK-DUSCRHDRSA-N
norman_susdat_id: NS00096442
smiles: CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O
inchi:
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19-/m0/s1


name: 11-Deoxy prostaglandin F1β
cas: 37785-99-2
chebiid: CHEBI:168703
chemspiderid: 4446198
formula: C20H36O4
inchikey: HYBPXYQCXNOTFK-JLNUFZAQSA-N
norman_susdat_id: NS00017058
pubchem_cid: 5283071
smiles: CCCCCC(C=CC1CCC(C1CCCCCCC(=O)O)O)O
inchi:
InChI=1S/C20H36O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,16-19,21-22H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+,19+/m0/s1


name: (9beta,15S)-9,15-Dihydroxyprosta-5,13-dien-1-oic acid
cas: 37786-07-5
chebiid: CHEBI:167820
chemspiderid: 17220779
dtxsid: DTXSID40855591
formula: C20H34O4
inchikey: YRFLKMLJQWGIIZ-LVJWDHJUSA-N
norman_susdat_id: NS00016937
pubchem_cid: 16061096
smiles: CCCCCC(C=CC1CCC(C1CC=CCCCC(=O)O)O)O
inchi:
InChI=1S/C20H34O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,16-19,21-22H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+,19+/m0/s1


name: 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-
cas: 3779-63-3
chebiid: CHEBI:59098
chemspiderid: 69823
dtxsid: DTXSID7027548
formula: C24H36N6O6
inchikey: KCZQSKKNAGZQSZ-UHFFFAOYSA-N
norman_susdat_id: NS00008777
pubchem_cid: 77411
smiles: O=C=NCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O
inchi:
InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2


name: 2-[(2-ethyl-3-benzofuranyl)methyl]-4,5-dihydro-1H-imidazolium chloride
cas: 37795-09-8
dtxsid: DTXSID20958837
formula: C14H16N2O
inchikey: YDDYHDKRIBOHOT-UHFFFAOYSA-N
norman_susdat_id: NS00057666
pubchem_cid: 37808
smiles: [Cl-].N1=C(CC=2C=3C=CC=CC3OC2CC)[NH2+]CC1
inchi:
InChI=1/C14H16N2O.ClH/c1-2-12-11(9-14-15-7-8-16-14)10-5-3-4-6-13(10)17-12;/h3-6H,2,7-9H2,1H3,(H,15,16);1H


name: 9-fluoro-11ß-hydroxy-6a-methylpregn-4-ene-3,20-dione
cas: 378-38-1
chebiid: CHEBI:34518
dtxsid: DTXSID80191243
formula: C22H31FO3
inchikey: RWGSFMGQJFCHTC-ORKYMPNQSA-N
norman_susdat_id: NS00042204
pubchem_cid: 251870
smiles: O=C1C=C2C(C)CC3C4CCC(C(=O)C)C4(C)CC(O)C3(F)C2(C)CC1
inchi:
InChI=1/C22H31FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h10,12,15-16,18-19,26H,5-9,11H2,1-4H3


cas: 378-44-9
chebiid: CHEBI:93851
chemspiderid: 2896
formula: C22H29FO5
inchikey: UREBDLICKHMUKA-UHFFFAOYSA-N
norman_susdat_id: NS00073840
pubchem_cid: 3003
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO
name:
betamethasone;pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11?,16?)-;(11beta,16beta)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.beta.)-;(11beta,16beta)-9-fluro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione;pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11ß,16ß)-;16β-methyl-9α-fluoro-Δ1-hydrocortisone;9α-fluoro-16β-methylprednisolone;sch 4831;nsc-39470;betamethasone pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11?,16?)- (11beta,16beta)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.beta.)- (11beta,16beta)-9-fluro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 9α-fluoro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11ß,16ß)- 16β-methyl-9α-fluoro-Δ1-hydrocortisone 9α-fluoro-16β-methylprednisolone sch 4831 nsc-39470

inchi:
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3


name: 6-a-fluoro-17-a,21-dihydroxy-16-a-methylpregn-4-ene-3,20-dione
cas: 378-59-6
formula: C22H31FO4
inchikey: OWHJNSYSENMCSN-QPUULIFRSA-N
norman_susdat_id: NS00041751
pubchem_cid: 101667
smiles: O=C1C=C2C(F)CC3C(CCC4(C)C3CC(C)C4(O)C(=O)CO)C2(C)CC1
inchi:
InChI=1/C22H31FO4/c1-12-8-16-14-10-18(23)17-9-13(25)4-6-20(17,2)15(14)5-7-21(16,3)22(12,27)19(26)11-24/h9,12,14-16,18,24,27H,4-8,10-11H2,1-3H3


name: N-(2,2,6,6-Tetramethyl-4-piperidyl)stearamide
cas: 37819-84-4
chemspiderid: 504128
dtxsid: DTXSID80191263
formula: C27H54N2O1
inchikey: BJYOZDZOZKVTAH-UHFFFAOYSA-N
norman_susdat_id: NS00030300
pubchem_cid: 579966
smiles: CCCCCCCCCCCCCCCCCC(=O)NC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C27H54N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(30)28-24-22-26(2,3)29-27(4,5)23-24/h24,29H,6-23H2,1-5H3,(H,28,30)


name: Levomepromazine-Nor
cas: 37819-98-0
chemspiderid: 148636
dtxsid: DTXSID80958853
formula: C18H22N2OS
inchikey: CIDGBRQEYYPJEM-CYBMUJFWSA-N
norman_susdat_id: NS00100951
pubchem_cid: 169970
smiles: C[C@H](CNC)CN1c2ccccc2Sc3c1cc(cc3)OC
inchi:
InChI=1S/C18H22N2OS/c1-13(11-19-2)12-20-15-6-4-5-7-17(15)22-18-9-8-14(21-3)10-16(18)20/h4-10,13,19H,11-12H2,1-3H3/t13-/m1/s1


name: Bis(3,3,5-trimethylcyclohexyl) phthalate
cas: 37832-65-8
dtxsid: DTXSID00885692
formula: C26H38O4
inchikey: ATHBXDPWCKSOLE-UHFFFAOYSA-N
norman_susdat_id: NS00057667
pubchem_cid: 98024
smiles: O=C(OC1CC(C)CC(C)(C)C1)C=2C=CC=CC2C(=O)OC3CC(C)CC(C)(C)C3
inchi:
InChI=1/C26H38O4/c1-17-11-19(15-25(3,4)13-17)29-23(27)21-9-7-8-10-22(21)24(28)30-20-12-18(2)14-26(5,6)16-20/h7-10,17-20H,11-16H2,1-6H3


name: Stilbazium iodide
cas: 3784-99-4
dtxsid: DTXSID00958870
formula: C31H36N3
inchikey: BYIRBDUHSVOFLU-UHFFFAOYSA-M
norman_susdat_id: NS00046506
pubchem_cid: NA
smiles: [I-].C=1C=C(C=CC2=CC=C(C=C2)N3CCCC3)[N+](=C(C1)C=CC4=CC=C(C=C4)N5CCCC5)CC
inchi:
InChI=1/C31H36N3.HI/c1-2-34-30(20-14-26-10-16-28(17-11-26)32-22-3-4-23-32)8-7-9-31(34)21-15-27-12-18-29(19-13-27)33-24-5-6-25-33;/h7-21H,2-6,22-25H2,1H3;1H/q+1;/p-1


name: 1,1'-dithiobis[N-phenylformamidine]
cas: 37847-87-3
formula: C14H14N4S2
inchikey: CZKMHYBROYUFDV-UHFFFAOYSA-N
norman_susdat_id: NS00057670
pubchem_cid: 169977
smiles: N=C(SSC(=N)NC=1C=CC=CC1)NC=2C=CC=CC2
inchi:
InChI=1/C14H14N4S2/c15-13(17-11-7-3-1-4-8-11)19-20-14(16)18-12-9-5-2-6-10-12/h1-10H,(H2,15,17)(H2,16,18)


name: Racefenicol
cas: 3785-14-6
chemspiderid: 5240
formula: C12H15Cl2N1O5S1
inchikey: OTVAEFIXJLOWRX-UHFFFAOYSA-N
norman_susdat_id: NS00000681
pubchem_cid: 5433
smiles: CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O
inchi:
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)


cas: 3785-44-2
formula: C40H58N4.2C2H3O2
inchikey: GCWKUHNKKWYKOP-UHFFFAOYSA-N
norman_susdat_id: NS00082397
smiles: CC(=O)[O-].CC(=O)[O-].Cc1cc2NCCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]1c4ccccc24)c5ccccc35
name:
6,7,8,9,10,11,12,13,14,15,16,17,24,25,26,27,28,29,30,31,32,33-docosahydro-35,37-dimethyl-5,34:18,23-diethenodibenzo[b,r][1,5,16,20]tetraazacyclotriacontine-23,34-diium diacetate

inchi:
InChI=1/C40H56N4.2C2H4O2/c1-33-31-37-35-23-15-17-25-39(35)43(33)29-21-13-9-5-6-10-14-22-30-44-34(2)32-38(36-24-16-18-26-40(36)44)42-28-20-12-8-4-3-7-11-19-27-41-37;2*1-2(3)4/h15-18,23-26,31-32H,3-14,19-22,27-30H2,1-2H3;2*1H3,(H,3,4)


name: Azanator
cas: 37855-92-8
chemspiderid: 35101
dtxsid: DTXSID50191295
formula: C18H18N2O1
inchikey: ALIOEEFZPKWPAV-UHFFFAOYSA-N
norman_susdat_id: NS00030304
pubchem_cid: 38298
smiles: CN1CCC(=C2c3c(Oc4c2cccn4)cccc3)CC1
inchi:
InChI=1S/C18H18N2O/c1-20-11-8-13(9-12-20)17-14-5-2-3-7-16(14)21-18-15(17)6-4-10-19-18/h2-7,10H,8-9,11-12H2,1H3


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl acetate
cas: 37858-04-1
dtxsid: DTXSID80895739
formula: C12H7F17O2
inchikey: CPOHLPPQNCULDC-UHFFFAOYSA-N
norman_susdat_id: NS00111765
smiles: CC(=O)OCCC(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/C12H7F17O2/c1-4(30)31-3-2-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3


name: N-(N-acetyl-3-phenyl-L-alanyl)-3,5-diiodo-L-tyrosine
cas: 3786-08-1
dtxsid: DTXSID90958900
formula: C20H20I2N2O5
inchikey: DWIHCEZUWCRUES-IRXDYDNUSA-N
norman_susdat_id: NS00047069
pubchem_cid: 440331
smiles: O=C(O)C(NC(=O)C(NC(=O)C)CC=1C=CC=CC1)CC2=CC(I)=C(O)C(I)=C2
inchi:
InChI=1/C20H20I2N2O5/c1-11(25)23-16(9-12-5-3-2-4-6-12)19(27)24-17(20(28)29)10-13-7-14(21)18(26)15(22)8-13/h2-8,16-17,26H,9-10H2,1H3,(H,23,25)(H,24,27)(H,28,29)


cas: 3786-76-3
dtxsid: DTXSID50958901
formula: C41H66O13
inchikey: WWCGMGNIMDOEGK-UHFFFAOYSA-N
norman_susdat_id: NS00045778
pubchem_cid: NA
smiles: O=C1OCC(C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CCC23C
name:
(5ß)-3ß-[(O-2,6-dideoxy-ß-D-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-D-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14-hydroxycardanolide

inchi:
InChI=1/C41H66O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h20-31,33-38,42-44,46-47H,6-19H2,1-5H3


name: R-1,c-2,c-3,c-4-cyclopentanetetracarboxylic acid
cas: 3786-91-2
formula: C9H10O8
inchikey: WOSVXXBNNCUXMT-UHFFFAOYSA-N
norman_susdat_id: NS00047090
pubchem_cid: 19622
smiles: O=C(O)C1CC(C(=O)O)C(C(=O)O)C1C(=O)O
inchi:
InChI=1/C9H10O8/c10-6(11)2-1-3(7(12)13)5(9(16)17)4(2)8(14)15/h2-5H,1H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)


name: Nemonoxacin
cas: 378746-64-6
chebiid: CHEBI:136053
dtxsid: DTXSID10958907
formula: C20H25N3O4
inchikey: AVPQPGFLVZTJOR-RYUDHWBXSA-N
norman_susdat_id: NS00072450
pubchem_cid: 11993740
smiles: COc1c(N2C[C@@H](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
inchi:
InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1


name: 2-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-5-methylbenzoxazole
cas: 3788-66-7
formula: C23H16N2O2
inchikey: KKDLKBVEHOJWKX-UKTHLTGXSA-N
norman_susdat_id: NS00045779
pubchem_cid: 6437309
smiles: N1=C(OC=2C=CC(=CC12)C)C=CC3=CC=C(C=C3)C4=NC=5C=CC=CC5O4
inchi:
InChI=1/C23H16N2O2/c1-15-6-12-21-19(14-15)24-22(26-21)13-9-16-7-10-17(11-8-16)23-25-18-4-2-3-5-20(18)27-23/h2-14H,1H3


name: Flubenzimine
cas: 37893-02-0
chemspiderid: 4522525
dtxsid: DTXSID4058079
formula: C17H10F6N4S1
inchikey: IZFZCMFMJKDHJZ-BANPTERESA-N
norman_susdat_id: NS00015278
pubchem_cid: NA
smiles: FC(F)(F)/N=C/2S/C(=Nc1ccccc1)N(C2=N/C(F)(F)F)c3ccccc3
inchi:
InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H/b24-15-,25-13+,26-14-


name: Albofungin
cas: 37895-35-5
chemspiderid: 16735647
formula: C27H24N2O9
inchikey: LYKFTVCDYGGLGW-BFHYXJOUSA-N
norman_susdat_id: NS00011785
pubchem_cid: 20054819
smiles: Cc1cc2cc3c(c(c2c(=O)n1N)O)-c4c5c(c6c(=O)c7c(oc6c4O)[C@@H](CC[C@@H]7O)OC)OCO[C@@H]5C3
inchi:
InChI=1S/C27H24N2O9/c1-9-5-10-6-11-7-14-18-19(15(11)21(31)16(10)27(34)29(9)28)23(33)26-20(25(18)37-8-36-14)22(32)17-12(30)3-4-13(35-2)24(17)38-26/h5-6,12-14,30-31,33H,3-4,7-8,28H2,1-2H3/t12-,13+,14+/m0/s1


name: 4-Hydroxyphenobarbital
cas: 379-34-0
chemspiderid: 9402
dtxsid: DTXSID20191328
formula: C12H12N2O4
inchikey: IEPXMKJNWPXDBP-UHFFFAOYSA-N
norman_susdat_id: NS00030314
pubchem_cid: 9785
smiles: CCC1(C(=O)NC(=O)NC1=O)c1ccc(O)cc1
inchi:
InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)


name: 18,21-dihydroxypregn-4-ene-3,20-dione
cas: 379-68-0
dtxsid: DTXSID90958920
formula: C21H30O4
inchikey: VPJHREHKRNIYDB-TZGXILGRSA-N
norman_susdat_id: NS00041752
pubchem_cid: 64970
smiles: O=C1C=C2CCC3C(CCC4(CO)C(C(=O)CO)CCC34)C2(C)CC1
inchi:
InChI=1/C21H30O4/c1-20-8-6-14(24)10-13(20)2-3-15-16(20)7-9-21(12-23)17(15)4-5-18(21)19(25)11-22/h10,15-18,22-23H,2-9,11-12H2,1H3


name: Ergotamine tartrate
cas: 379-79-3
formula: C33H35N5O5.1/2C4H6O6
inchikey: NMTWKEWYQXZGCI-DDLCCZDQSA-N
norman_susdat_id: NS00079690
inchi:
InChI=1/C33H35N5O5.C4H6O6/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-1(3(7)8)2(6)4(9)10/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2,5-6H,(H,7,8)(H,9,10)

smiles:
CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O.OC(C(O)C(=O)O)C(=O)O


name: Ethyl (Z)-docos-13-enoate
cas: 37910-77-3
chebiid: CHEBI:84891
formula: C24H46O2
inchikey: WFZQLUSOXHIVKL-QXMHVHEDSA-N
norman_susdat_id: NS00056346
pubchem_cid: 5364508
smiles: O=C(OCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3


cas: 37921-74-7
dtxsid: DTXSID80885695
formula: C45H51N3O6S
inchikey: CDSNHGGKFVLHSW-UHFFFAOYSA-N
norman_susdat_id: NS00056891
pubchem_cid: 169985
name:
3-[1-[7-[(hexadecylsulphonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1H-indole-7-carboxylic acid

inchi:
InChI=1/C45H51N3O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28-55(52,53)48-39-27-19-23-33-38(30-47-42(33)39)45(37-29-46-41-32(37)22-18-25-35(41)43(49)50)36-26-17-21-31-20-16-24-34(40(31)36)44(51)54-45/h16-27,29-30,46-48H,2-15,28H2,1H3,(H,49,50)

smiles:
O=C(O)C1=CC=CC=2C(=CNC12)C3(OC(=O)C=4C=CC=C5C=CC=C3C54)C6=CNC=7C(=CC=CC67)NS(=O)(=O)CCCCCCCCCCCCCCCC


name: Saracatinib
cas: 379231-04-6
chebiid: CHEBI:47458
dtxsid: DTXSID90191355
formula: C27H32ClN5O5
inchikey: OUKYUETWWIPKQR-UHFFFAOYSA-N
norman_susdat_id: NS00071732
pubchem_cid: 10302451
smiles: CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1
inchi:
InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)


name: Perfluidone
cas: 37924-13-3
chebiid: CHEBI:82181
chemspiderid: 34724
dtxsid: DTXSID3042267
formula: C14H12F3N1O4S2
inchikey: WHTBVLXUSXVMEV-UHFFFAOYSA-N
norman_susdat_id: NS00022123
pubchem_cid: 37869
smiles: Cc1c(NS(=O)(=O)C(F)(F)F)ccc(c1)S(=O)(=O)c1ccccc1
inchi:
InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3


name: Prednienic acid
cas: 37927-29-0
chemspiderid: 5442258
dtxsid: DTXSID50191356
formula: C20H26O5
inchikey: MCKJPJYRCPANCC-XLXYOEISSA-N
norman_susdat_id: NS00030313
pubchem_cid: 7092779
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)O
inchi:
InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14+,15+,16+,18-,19-,20-/m1/s1


name: Tenofovir Alafenamide
cas: 379270-37-8
chebiid: CHEBI:90926
dtxsid: DTXSID50958941
formula: C21H29N6O5P
inchikey: LDEKQSIMHVQZJK-CAQYMETFSA-N
norman_susdat_id: NS00073274
pubchem_cid: 9574768
smiles: CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1
inchi:
InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1


name: Ammonium tricosafluorododecanoate
cas: 3793-74-6
formula: C12HF23O2.H3N
inchikey: CZSJYNHKKNEDDD-UHFFFAOYSA-N
norman_susdat_id: NS00081687
smiles: [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12HF23O2.H3N/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35;/h(H,36,37);1H3


name: 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)phthalazin-1(2H)-one hydrochloride
cas: 37932-96-0
chebiid: CHEBI:2951
formula: C22H24ClN3O.xClH
inchikey: YEJAJYAHJQIWNU-UHFFFAOYSA-N
norman_susdat_id: NS00088597
smiles: Cl.CN1CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
inchi:
InChI=1/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H


name: Thevetin A
cas: 37933-66-7
chebiid: CHEBI:28841
chemspiderid: 441873
formula: C42H64O19
inchikey: WPNLWBRKPZXVGD-QMFRUYISSA-N
norman_susdat_id: NS00093828
pubchem_cid: 390449
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)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: L-lysine o-acetoxybenzoate
cas: 37933-78-1
formula: C9H8O4.xC6H14N2O2
inchikey: JJBCTCGUOQYZHK-ZSCHJXSPSA-N
norman_susdat_id: NS00088609
smiles: CC(=O)Oc1ccccc1C(=O)O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C9H8O4.C6H14N2O2/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;7-4-2-1-3-5(8)6(9)10/h2-5H,1H3,(H,11,12);5H,1-4,7-8H2,(H,9,10)


name: 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonic acid
cas: 37936-41-7
formula: C18H13N5O6S2
inchikey: APIDSQKETXQPQW-UHFFFAOYSA-N
norman_susdat_id: NS00089020
smiles: O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S(O)(=O)=O
inchi:
InChI=1/C18H13N5O6S2/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)


name: [5-chloro-2-[3-(chloromethyl)-4H-1,2,4-triazol-4-yl]phenyl] phenyl ketone
cas: 37945-06-5
dtxsid: DTXSID60958952
formula: C16H11Cl2N3O
inchikey: KBWXJZXYNPXORC-UHFFFAOYSA-N
norman_susdat_id: NS00056837
pubchem_cid: 11970484
smiles: O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2N3C=NN=C3CCl
inchi:
InChI=1/C16H11Cl2N3O/c17-9-15-20-19-10-21(15)14-7-6-12(18)8-13(14)16(22)11-4-2-1-3-5-11/h1-8,10H,9H2


cas: 37966-23-7
dtxsid: DTXSID40958955
formula: C26H31N2O6S4
inchikey: PXCKQVKZUMLAOI-UHFFFAOYSA-N
norman_susdat_id: NS00056435
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC=CC4[N+]3CCCCS(=O)(=O)[O-])C.N(CC)(CC)CC
name:
Hydrogen 2-[2-methyl-3-[3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C26H30N2O6S4.C6H15N.H2/c1-20(18-25-27(14-6-8-16-37(29,30)31)21-10-2-4-12-23(21)35-25)19-26-28(15-7-9-17-38(32,33)34)22-11-3-5-13-24(22)36-26;1-4-7(5-2)6-3;/h2-5,10-13,18-19H,6-9,14-17H2,1H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1


name: 2-Phosphono-1,2,4-butanetricarboxylic acid
cas: 37971-36-1
chemspiderid: 55824
dtxsid: DTXSID4027999
formula: C7H11O9P1
inchikey: SZHQPBJEOCHCKM-UHFFFAOYSA-N
norman_susdat_id: NS00001823
pubchem_cid: 61973
smiles: OC(=O)CCC(CC(O)=O)(C(O)=O)P(O)(O)=O
inchi:
InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)


name: 1,1'-(9H-xanthene-2,7-diyl)bis[2-(dimethylamino)ethanone] dihydrochloride
cas: 37971-99-6
dtxsid: DTXSID30958964
formula: C21H24N2O3
inchikey: KDTTYYSNCRIKOI-UHFFFAOYSA-N
norman_susdat_id: NS00056936
pubchem_cid: 37877
smiles: Cl.Cl.O=C(C1=CC=C2OC3=CC=C(C=C3CC2=C1)C(=O)CN(C)C)CN(C)C
inchi:
InChI=1/C21H24N2O3.2ClH/c1-22(2)12-18(24)14-5-7-20-16(9-14)11-17-10-15(6-8-21(17)26-20)19(25)13-23(3)4;;/h5-10H,11-13H2,1-4H3;2*1H


name: Dibutyl cyclohex-4-ene-1,2-dicarboxylate
cas: 37981-16-1
dtxsid: DTXSID30958969
formula: C16H26O4
inchikey: ANOXPYCDNXHEEE-UHFFFAOYSA-N
norman_susdat_id: NS00056436
pubchem_cid: 3015951
smiles: O=C(OCCCC)C1CC=CCC1C(=O)OCCCC
inchi:
InChI=1/C16H26O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-8,13-14H,3-6,9-12H2,1-2H3


name: Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)amino]-4-methoxyphenyl]-
cas: 37984-46-6
chemspiderid: 142506
dtxsid: DTXSID7068059
formula: C18H16Cl1N7O6
inchikey: GMEGSBXYAAPXTD-UHFFFAOYSA-N
norman_susdat_id: NS00030318
pubchem_cid: 162281
smiles: COc1cc(N=Nc2c(Cl)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1NCCC#N
inchi:
InChI=1S/C18H16ClN7O6/c1-10(27)22-13-8-15(21-5-3-4-20)17(32-2)9-14(13)23-24-18-12(19)6-11(25(28)29)7-16(18)26(30)31/h6-9,21H,3,5H2,1-2H3,(H,22,27)


name: [3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium chloride
cas: 38006-74-5
formula: C14H16F17N2O2S.Cl
inchikey: BIJMEXQJDYBHGD-UHFFFAOYSA-M
norman_susdat_id: NS00089022
smiles: [Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H16F17N2O2S.ClH/c1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;/h32H,4-6H2,1-3H3;1H/q+1;/p-1


name: 9-fluoro-11ß,17-dihydroxy-6a-methylpregna-1,4-diene-3,20-dione 17-acetate
cas: 3801-06-7
chebiid: CHEBI:78354
dtxsid: DTXSID20191424
formula: C24H31FO5
inchikey: YRFXGQHBPBMFHW-SBTZIJSASA-N
norman_susdat_id: NS00046555
pubchem_cid: 240767
smiles: O=C1C=CC2(C(=C1)C(C)CC3C4CCC(OC(=O)C)(C(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3


name: 4-phenoxy-n-(pyridin-2-ylmethyl)benzamide
cas: 380211-59-6
chebiid: CHEBI:41135
formula: C19H16N2O2
inchikey: HVLSCZSVTCNAQX-UHFFFAOYSA-N
norman_susdat_id: NS00070833
pubchem_cid: 2352168
smiles: O=C(NCc1ccccn1)c1ccc(Oc2ccccc2)cc1
inchi:
InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)


name: (1R,3S,5S,7R)-2,8-Dimethylidene-5-prop-1-en-2-ylcyclodecane-1,3,7-triol
cas: 38022-97-8
dtxsid: DTXSID50958986
formula: C15H24O3
inchikey: QVMGKSVFLSTTEO-YJNKXOJESA-N
norman_susdat_id: NS00097468
smiles: CC(=C)[C@H]1C[C@H](C(=C)CC[C@H](C(=C)[C@H](C1)O)O)O
inchi:
InChI=1S/C15H24O3/c1-9(2)12-7-14(17)10(3)5-6-13(16)11(4)15(18)8-12/h12-18H,1,3-8H2,2H3/t12-,13+,14+,15-/m0/s1


cas: 380221-63-6
dtxsid: DTXSID70431408
formula: C40H47N11O6
inchikey: ZOTHAEBAWXWVID-HXEFRTELSA-N
norman_susdat_id: NS00073055
pubchem_cid: 9833519
name:
6-[(2,2-diphenylethyl)amino]-9-[5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-n-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9h-purine-2-carboxamide

inchi:
InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1

smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O


name: a6-[[(tert-butyl)amino]methyl]-3-hydroxypyridine-2,6-dimethanol dihydrochloride
cas: 38029-10-6
chebiid: CHEBI:32012
formula: C12H20N2O3.2ClH
inchikey: XIDFCZTVVCWBGN-UHFFFAOYSA-N
norman_susdat_id: NS00088346
smiles: Cl.Cl.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
inchi:
InChI=1/C12H20N2O3.2ClH/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;;/h4-5,11,13,15-17H,6-7H2,1-3H3;2*1H


name: 2'-(sulphomethyl)isonicotinohydrazide, monosodium salt
cas: 3804-89-5
formula: C7H9N3O4S.Na
inchikey: XIKFVJMQXWJVQW-UHFFFAOYSA-M
norman_susdat_id: NS00082410
smiles: [Na]OS(=O)(=O)CNNC(=O)c1ccncc1
inchi:
InChI=1/C7H9N3O4S.Na/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14;/h1-4,9H,5H2,(H,10,11)(H,12,13,14);/q;+1/p-1/rC7H8N3NaO4S/c11-15-16(13,14)5-9-10-7(12)6-1-3-8-4-2-6/h1-4,9H,5H2,(H,10,12)


name: 4-Nitrobenzylthioinosine
cas: 38048-32-7
chebiid: CHEBI:138859
chemspiderid: 58871
dtxsid: DTXSID2040947
formula: C17H17N5O6S1
inchikey: DYCJFJRCWPVDHY-LSCFUAHRSA-N
norman_susdat_id: NS00030323
pubchem_cid: 65407
smiles: OCC1OC(C(O)C1O)n1cnc2c1ncnc2SCc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H17N5O6S/c23-5-11-13(24)14(25)17(28-11)21-8-20-12-15(21)18-7-19-16(12)29-6-9-1-3-10(4-2-9)22(26)27/h1-4,7-8,11,13-14,17,23-25H,5-6H2/t11-,13-,14+,17+/m1/s1


name: 1,4-Bis(alpha,alpha-bis(4-hydroxyphenyl)benzyl)benzene
cas: 38050-97-4
chemspiderid: 2283991
dtxsid: DTXSID40191466
formula: C44H34O4
inchikey: UVHRMZIIPPMNSR-UHFFFAOYSA-N
norman_susdat_id: NS00030324
pubchem_cid: 3015956
smiles: Oc1ccc(cc1)C(c1ccccc1)(c1ccc(O)cc1)c1ccc(cc1)C(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C44H34O4/c45-39-23-15-35(16-24-39)43(31-7-3-1-4-8-31,36-17-25-40(46)26-18-36)33-11-13-34(14-12-33)44(32-9-5-2-6-10-32,37-19-27-41(47)28-20-37)38-21-29-42(48)30-22-38/h1-30,45-48H


name: Phosphoric acid, 2,2-bis(chloromethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester
cas: 38051-10-4
chemspiderid: 83339
dtxsid: DTXSID8028000
formula: C13H24Cl6O8P2
inchikey: ZGHUDSLVQAGWEY-UHFFFAOYSA-N
norman_susdat_id: NS00006541
pubchem_cid: 92310
smiles: ClCCOP(=O)(OCCCl)OCC(CCl)(CCl)COP(=O)(OCCCl)OCCCl
inchi:
InChI=1S/C13H24Cl6O8P2/c14-1-5-22-28(20,23-6-2-15)26-11-13(9-18,10-19)12-27-29(21,24-7-3-16)25-8-4-17/h1-12H2


name: Distearyl pentaerythritol diphosphite
cas: 3806-34-6
chemspiderid: 30988593
dtxsid: DTXSID2027549
formula: C41H82O6P2
inchikey: PZRWFKGUFWPFID-FTPXMZOVSA-N
norman_susdat_id: NS00007162
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCCCCCO[P@]1OC[C@]2(CO[P@](OCCCCCCCCCCCCCCCCCC)OC2)CO1
inchi:
InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3/t41-,48-,49-/m1/s1


name: N2,N2-Dimethyl-N6-(1-oxododecyl)-L-lysine
cas: 38079-57-1
chemspiderid: 21230112
dtxsid: DTXSID00191487
formula: C20H40N2O3
inchikey: CYGAEZQNRUGNLL-SFHVURJKSA-N
norman_susdat_id: NS00030329
pubchem_cid: 53746540
smiles: CCCCCCCCCCCC(=O)NCCCCC(N(C)C)C(=O)O
inchi:
InChI=1S/C20H40N2O3/c1-4-5-6-7-8-9-10-11-12-16-19(23)21-17-14-13-15-18(20(24)25)22(2)3/h18H,4-17H2,1-3H3,(H,21,23)(H,24,25)/t18-/m1/s1


name: L-Glutamic acid, N-(1-oxooctadecyl)-, sodium salt (1:2)
cas: 38079-62-8
chemspiderid: 93048
dtxsid: DTXSID50889726
formula: C23H43N1O5
inchikey: ATFFFUXLAJBBDE-UHFFFAOYSA-N
norman_susdat_id: NS00013631
pubchem_cid: 102996
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC([O-])=O)C([O-])=O
inchi:
InChI=1S/C23H43NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;/q;2*+1/p-2/t20-;;/m0../s1


name: L-Glutamic acid, N-(1-oxohexadecyl)-
cas: 38079-66-2
chemspiderid: 2883541
dtxsid: DTXSID60191488
formula: C21H39N1O5
inchikey: KMAOMYOPEIRFLB-UHFFFAOYSA-N
norman_susdat_id: NS00013935
pubchem_cid: 3649795
smiles: CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)C(O)=O
inchi:
InChI=1S/C21H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(26)27)16-17-20(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t18-/m0/s1


name: N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide
cas: 3808-20-6
dtxsid: DTXSID90884013
formula: C21H16N2O4S
inchikey: LIVHLIWSCIZRJU-UHFFFAOYSA-N
norman_susdat_id: NS00046556
pubchem_cid: 989114
smiles: O=C1OC(=NC=2C=CC=CC12)C=3C=CC=CC3NS(=O)(=O)C4=CC=C(C=C4)C
inchi:
InChI=1/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(24)27-20/h2-13,23H,1H3


name: Streptothricin F
cas: 3808-42-2
chemspiderid: 8089624
dtxsid: DTXSID20191489
formula: C19H34N8O8
inchikey: NRAUADCLPJTGSF-LLDRHZEUSA-N
norman_susdat_id: NS00011792
pubchem_cid: 9913975
smiles: O=C1NC[C@@H](O)[C@H]2NC(=N/[C@H]12)N[C@@H]3O[C@@H]([C@H](OC(=O)N)[C@@H](O)[C@H]3NC(=O)CC(N)CCCN)CO
inchi:
InChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7?,8-,9-,11-,12+,13-,14+,15+,17-/m1/s1


cas: 380843-75-4
chebiid: CHEBI:39112
chemspiderid: 4486102
formula: C26H29Cl2N5O3
inchikey: UBPYILGKFZZVDX-UHFFFAOYSA-N
norman_susdat_id: NS00002757
pubchem_cid: 5328940
smiles: COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
name:
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile

inchi:
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)


name: 5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-
cas: 38089-93-9
chemspiderid: 10136038
formula: C20H23Cl1N2O1
inchikey: HSLLZISLOQPUNP-UHFFFAOYSA-N
norman_susdat_id: NS00003325
pubchem_cid: 11961794
smiles: CN1CCC(CC1)C1(O)c2ccc(Cl)cc2CCc2cccnc12
inchi:
InChI=1S/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3


name: Sodium 2-anilino-5-nitrobenzenesulphonate
cas: 3809-31-2
formula: C12H10N2O5S.Na
inchikey: OKXKVNPMOSWVPS-UHFFFAOYSA-M
norman_susdat_id: NS00082411
smiles: [Na+].[O-][N+](=O)c1ccc(Nc2ccccc2)c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C12H10N2O5S.Na/c15-14(16)10-6-7-11(12(8-10)20(17,18)19)13-9-4-2-1-3-5-9;/h1-8,13H,(H,17,18,19);/q;+1/p-1


name: Perampanel
cas: 380917-97-5
chebiid: CHEBI:71013
chemspiderid: 8100130
dtxsid: DTXSID80191501
formula: C23H15N3O1
inchikey: PRMWGUBFXWROHD-UHFFFAOYSA-N
norman_susdat_id: NS00004827
pubchem_cid: 9924495
smiles: O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
inchi:
InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H


cas: 38096-68-3
formula: C23H50NO2
norman_susdat_id: NS00101794
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(methyloctadecyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


name: D-Fructose, 1,6-bis(dihydrogen phosphate), trisodium salt
cas: 38099-82-0
formula: C6H14O12P2.3Na
inchikey: CEHGLSKJDFICTB-UHFFFAOYSA-K
norman_susdat_id: NS00088600
smiles: OC(COP(=O)(O[Na])O[Na])C(O)C(O)C(=O)COP(=O)(O)O[Na]
inchi:
InChI=1/C6H14O12P2.3Na/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-3/rC6H11Na3O12P2/c7-19-22(14,15)17-1-3(10)5(12)6(13)4(11)2-18-23(16,20-8)21-9/h4-6,11-13H,1-2H2,(H,14,15)


cas: 3810-63-7
dtxsid: DTXSID30897389
formula: C33H40N2O9S
inchikey: SHYNCDVGSJTRCP-UHFFFAOYSA-N
norman_susdat_id: NS00046557
pubchem_cid: 77426
smiles: O=C(O)CNCC=1C(O)=C(C=C(C1C)C2(OS(=O)(=O)C=3C=CC=CC32)C4=CC(=C(O)C(=C4C)CNCC(=O)O)C(C)C)C(C)C
name:
N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene]]bisglycine S,S-dioxide

inchi:
InChI=1/C33H40N2O9S/c1-17(2)21-11-26(19(5)23(31(21)40)13-34-15-29(36)37)33(25-9-7-8-10-28(25)45(42,43)44-33)27-12-22(18(3)4)32(41)24(20(27)6)14-35-16-30(38)39/h7-12,17-18,34-35,40-41H,13-16H2,1-6H3,(H,36,37)(H,38,39)


name: Streptomycin sulfate (2:3)
cas: 3810-74-0
chebiid: CHEBI:32158
dtxsid: DTXSID9026053
formula: C42H84N14O36S3
inchikey: QTENRWWVYAAPBI-YCRXJPFRSA-N
norman_susdat_id: NS00076453
inchi:
InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1

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


name: Diphenoxylate hydrochloride
cas: 3810-80-8
chebiid: CHEBI:59784
formula: C30H32N2O2.ClH
inchikey: SHTAFWKOISOCBI-UHFFFAOYSA-N
norman_susdat_id: NS00082075
smiles: Cl.CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4
inchi:
InChI=1/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H


name: 3-[(4-methoxyphenyl)methylene]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
cas: 38102-63-5
formula: C18H22O2
inchikey: NUXVNHVEMUEEND-UHFFFAOYSA-N
norman_susdat_id: NS00056986
pubchem_cid: 622977
smiles: O=C1C(=CC2=CC=C(OC)C=C2)C3CCC1(C)C3(C)C
inchi:
InChI=1/C18H22O2/c1-17(2)15-9-10-18(17,3)16(19)14(15)11-12-5-7-13(20-4)8-6-12/h5-8,11,15H,9-10H2,1-4H3


name: 1,2-Benzenedicarboxylic acid, 4,4'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
cas: 38103-05-8
chemspiderid: 148661
dtxsid: DTXSID1068065
formula: C31H24O10
inchikey: KJLPSBMDOIVXSN-UHFFFAOYSA-N
norman_susdat_id: NS00030332
pubchem_cid: 169998
smiles: CC(C)(c1ccc(Oc2ccc(C(=O)O)c(c2)C(=O)O)cc1)c1ccc(Oc2ccc(C(=O)O)c(c2)C(=O)O)cc1
inchi:
InChI=1S/C31H24O10/c1-31(2,17-3-7-19(8-4-17)40-21-11-13-23(27(32)33)25(15-21)29(36)37)18-5-9-20(10-6-18)41-22-12-14-24(28(34)35)26(16-22)30(38)39/h3-16H,1-2H3,(H,32,33)(H,34,35)(H,36,37)(H,38,39)


name: 2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride
cas: 38103-06-9
chemspiderid: 85265
dtxsid: DTXSID3028001
formula: C31H20O8
inchikey: MQAHXEQUBNDFGI-UHFFFAOYSA-N
norman_susdat_id: NS00009489
pubchem_cid: 94483
smiles: CC(C)(c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1)c1ccc(Oc2ccc3C(=O)OC(=O)c3c2)cc1
inchi:
InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3


name: Tolamolol
cas: 38103-61-6
chemspiderid: 34753
dtxsid: DTXSID4046230
formula: C19H24N2O4
inchikey: SKQDKFOTIPJUSV-UHFFFAOYNA-N
norman_susdat_id: NS00030335
pubchem_cid: NA
smiles: Cc1c(OCC(O)CNCCOc2ccc(cc2)C(=O)N)cccc1
inchi:
InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/t16-/m0/s1


name: Succinylsulfacetamide
cas: 3811-16-3
chemspiderid: 18515
dtxsid: DTXSID20191520
formula: C12H14N2O6S1
inchikey: KFTWTNRNXVBUCC-UHFFFAOYSA-N
norman_susdat_id: NS00030336
pubchem_cid: 19656
smiles: CC(=O)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
inchi:
InChI=1S/C12H14N2O6S/c1-8(15)14-21(19,20)10-4-2-9(3-5-10)13-11(16)6-7-12(17)18/h2-5H,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18)


name: Aminoquinuride
cas: 3811-56-1
chemspiderid: 64306
dtxsid: DTXSID9046948
formula: C21H20N6O1
inchikey: HOUSDILKOJMENG-UHFFFAOYSA-N
norman_susdat_id: NS00001596
pubchem_cid: 71166
smiles: Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
inchi:
InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)


name: Disodium 5-[[4'-[[2,4-diamino-5-[(4-sulphophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate
cas: 3811-71-0
dtxsid: DTXSID1063196
formula: C31H24N8O6S
inchikey: UPBSMTFIHZNTIC-UHFFFAOYSA-L
norman_susdat_id: NS00045632
pubchem_cid: 413727
inchi:
InChI=1/2C31H24N8O6S.2Na/c2*32-26-16-27(33)29(39-36-22-9-12-24(13-10-22)46(43,44)45)17-28(26)38-35-21-7-3-19(4-8-21)18-1-5-20(6-2-18)34-37-23-11-14-30(40)25(15-23)31(41)42;;/h2*1-17,40H,32-33H2,(H,41,42)(H,43,44,45);;/q;;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C3=CC=C(N=NC=4C=C(N=NC5=CC=C(C=C5)S(=O)(=O)O)C(N)=CC4N)C=C3)=CC=C1O.O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C3=CC=C(N=NC=4C=C(N=NC5=CC=C(C=C5)S(=O)(=O)O)C(N)=CC4N)C=C3)=CC=C1O


name: Hexamidine [INN:BAN:DCF]
cas: 3811-75-4
chebiid: CHEBI:87184
chemspiderid: 58639
dtxsid: DTXSID60191524
formula: C20H26N4O2
inchikey: OQLKNTOKMBVBKV-UHFFFAOYSA-N
norman_susdat_id: NS00010087
pubchem_cid: 65130
smiles: NC(=N)c1ccc(OCCCCCCOc2ccc(cc2)C(N)=N)cc1
inchi:
InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)


cas: 38122-80-4
dtxsid: DTXSID50885703
formula: C53H58O9
inchikey: GQAKXAZXUYZQAI-UHFFFAOYSA-N
norman_susdat_id: NS00056504
pubchem_cid: 170003
name:
1-hydroxy-4-[1-[4-hydroxy-3-(methoxycarbonyl)-1-naphthyl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-6-(octadecyloxy)-2-naphthoic acid

inchi:
InChI=1/C53H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-61-36-29-30-39-41(32-36)46(33-42(48(39)54)50(56)57)53(44-28-22-24-35-23-21-27-40(47(35)44)52(59)62-53)45-34-43(51(58)60-2)49(55)38-26-19-18-25-37(38)45/h18-19,21-30,32-34,54-55H,3-17,20,31H2,1-2H3,(H,56,57)

smiles:
O=C(O)C=1C=C(C2=CC(OCCCCCCCCCCCCCCCCCC)=CC=C2C1O)C3(OC(=O)C=4C=CC=C5C=CC=C3C54)C6=CC(C(=O)OC)=C(O)C=7C=CC=CC76


cas: 38122-81-5
dtxsid: DTXSID10885704
formula: C52H56O9
inchikey: AANWBJLLAXURNB-UHFFFAOYSA-N
norman_susdat_id: NS00055990
pubchem_cid: 170004
name:
4-[1-(3-carboxy-4-hydroxy-1-naphthyl)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-6-(octadecyloxy)-2-naphthoic acid

inchi:
InChI=1/C52H56O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-60-35-28-29-38-40(31-35)45(33-42(48(38)54)50(57)58)52(43-27-21-23-34-22-20-26-39(46(34)43)51(59)61-52)44-32-41(49(55)56)47(53)37-25-18-17-24-36(37)44/h17-18,20-29,31-33,53-54H,2-16,19,30H2,1H3,(H,55,56)(H,57,58)

smiles:
O=C(O)C=1C=C(C=2C=CC=CC2C1O)C3(OC(=O)C=4C=CC=C5C=CC=C3C54)C6=CC(C(=O)O)=C(O)C7=CC=C(OCCCCCCCCCCCCCCCCCC)C=C76


name: macimorelin acetate
cas: 381231-18-1
formula: C26H30N6O3
inchikey: UJVDJAPJQWZRFR-DHIUTWEWSA-N
norman_susdat_id: NS00068665
pubchem_cid: 9804938
smiles: CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
inchi:
InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1


cas: 38124-99-1
formula: C26H25N5O8S2
inchikey: WCHQYPQSZXUSIL-UHFFFAOYSA-L
norman_susdat_id: NS00056505
pubchem_cid: 11970485
name:
Disodium 5-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H25N5O8S2.2Na/c32-15-13-31(14-16-33)20-5-1-18(2-6-20)27-29-25-11-12-26(24-17-22(41(37,38)39)9-10-23(24)25)30-28-19-3-7-21(8-4-19)40(34,35)36;;/h1-12,17,32-33H,13-16H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)N(CCO)CCO)C=4C=CC(=CC24)S(=O)(=O)[O-])C=C1


name: Tri(2-hydroxyethyl)ammonium (2,4,5-trichlorophenoxy)acetate
cas: 3813-14-7
formula: C8H5Cl3O3.C6H15NO3
inchikey: VTZDSNBPOOWJST-UHFFFAOYSA-N
norman_susdat_id: NS00081861
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1/C8H5Cl3O3.C6H15NO3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;8-4-1-7(2-5-9)3-6-10/h1-2H,3H2,(H,12,13);8-10H,1-6H2


cas: 38133-90-3
dtxsid: DTXSID6068068
formula: C24H17N6O5
inchikey: RSJRBKUJZGGVMR-UHFFFAOYSA-N
norman_susdat_id: NS00056415
pubchem_cid: 135666591
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC=5C=CC=CC5[N+](=O)[O-])=C3O
name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide

inchi:
InChI=1/C24H16N6O5/c31-22-16(23(32)25-14-9-10-17-19(12-14)27-24(33)26-17)11-13-5-1-2-6-15(13)21(22)29-28-18-7-3-4-8-20(18)30(34)35/h1-12,31H,(H,25,32)(H2,26,27,33)


name: 2-Naphthalenecarboxylic acid, 1-hydroxy-6-(octadecyloxy)-
cas: 38134-94-0
chemspiderid: 148668
dtxsid: DTXSID0068070
formula: C29H44O4
inchikey: HZAMBLFVFWGWSW-UHFFFAOYSA-N
norman_susdat_id: NS00030343
pubchem_cid: 170007
smiles: CCCCCCCCCCCCCCCCCCOc1cc2ccc(C(=O)O)c(O)c2cc1
inchi:
InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-19-21-26-24(23-25)18-20-27(28(26)30)29(31)32/h18-21,23,30H,2-17,22H2,1H3,(H,31,32)


name: HB-Compound
cas: 38150-27-5
chemspiderid: 148671
dtxsid: DTXSID60191544
formula: C17H14Cl1N3O2
inchikey: UZEKJKOIIZBJFR-UHFFFAOYSA-N
norman_susdat_id: NS00030346
pubchem_cid: 170010
smiles: Cc1nnc(CO)n1c1ccc(Cl)cc1C(=O)c1ccccc1
inchi:
InChI=1S/C17H14ClN3O2/c1-11-19-20-16(10-22)21(11)15-8-7-13(18)9-14(15)17(23)12-5-3-2-4-6-12/h2-9,22H,10H2,1H3


name: [3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione, 9,9'-diamino-
cas: 38157-01-6
chemspiderid: 4678051
dtxsid: DTXSID0068074
formula: C34H20N2O2
inchikey: LWDAHFWGDVZCEZ-UHFFFAOYSA-N
norman_susdat_id: NS00030347
pubchem_cid: 5748624
smiles: NC1=CC2=C(C=C1)C1=C3C(=CC=CC3=C(C=C1)C1=CC=C3C4=CC=C(N)C=C4C(=O)C4=C3C1=CC=C4)C2=O
inchi:
InChI=1S/C34H20N2O2/c35-17-7-9-21-25-13-11-19(23-3-1-5-27(31(23)25)33(37)29(21)15-17)20-12-14-26-22-10-8-18(36)16-30(22)34(38)28-6-2-4-24(20)32(26)28/h1-16H,35-36H2


name: N,N'-ethane-1,2-diylbis(hydroxyoctadecan-1-amide)
cas: 38162-95-7
formula: C38H76N2O4
inchikey: IVPYHNVOJNIAMO-UHFFFAOYSA-N
norman_susdat_id: NS00056566
pubchem_cid: 20528651
smiles: O=C(NCCNC(=O)C(O)CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H76N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(41)37(43)39-33-34-40-38(44)36(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,41-42H,3-34H2,1-2H3,(H,39,43)(H,40,44)


name: Zeatin-7-N-glucoside
cas: 38165-56-9
chebiid: CHEBI:80494
chemspiderid: 4952889
formula: C16H23N5O6
inchikey: HTDHRCLVWUEXIS-HNVSNYHQSA-N
norman_susdat_id: NS00014965
pubchem_cid: 6450275
smiles: C/C(=C/CNc1c2c(ncn1)ncn2C3C(C(C(C(O3)CO)O)O)O)/CO
inchi:
InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1


name: (+)-[3-cyano-3-(3,4-dimethoxyphenyl)hex-6-yl](5,6-dimethoxyphenethyl)methylammonium chloride
cas: 38176-02-2
dtxsid: DTXSID80959103
formula: C26H36N2O4
inchikey: YYIRVTIFFHGIJD-UHFFFAOYSA-N
norman_susdat_id: NS00056047
pubchem_cid: 21124839
smiles: [Cl-].N#CC(C1=CC=C(OC)C(OC)=C1)(CC)CCC[NH+](C)CCC=2C=CC=C(OC)C2OC
inchi:
InChI=1/C26H36N2O4.ClH/c1-7-26(19-27,21-12-13-22(29-3)24(18-21)31-5)15-9-16-28(2)17-14-20-10-8-11-23(30-4)25(20)32-6;/h8,10-13,18H,7,9,14-17H2,1-6H3;1H


name: Bephenium hydroxynaphthoate
cas: 3818-50-6
formula: C17H22NO.C11H7O3
inchikey: PMPQCPQAHTXCDK-UHFFFAOYSA-M
norman_susdat_id: NS00081862
smiles: C[N+](C)(CCOc1ccccc1)Cc2ccccc2.Oc3cc4ccccc4cc3C(=O)[O-]
inchi:
InChI=1/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1


name: 4,4'-Thiobis[5-tert-butyl-m-cresol]
cas: 3818-54-0
chemspiderid: 69846
dtxsid: DTXSID8063202
formula: C22H30O2S1
inchikey: MHIIENSHBMGNJE-UHFFFAOYSA-N
norman_susdat_id: NS00030352
pubchem_cid: 77435
smiles: Cc1cc(O)cc(c1Sc1c(cc(O)cc1C)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C22H30O2S/c1-13-9-15(23)11-17(21(3,4)5)19(13)25-20-14(2)10-16(24)12-18(20)22(6,7)8/h9-12,23-24H,1-8H3


name: 2,3-Dimethyl-7-methoxy-8-(morpholinomethyl)chromone
cas: 3818-64-2
chemspiderid: 18527
dtxsid: DTXSID40191562
formula: C17H21N1O4
inchikey: GJTMNUHTYIJXTJ-UHFFFAOYSA-N
norman_susdat_id: NS00030353
pubchem_cid: 19669
smiles: COc1c(CN2CCOCC2)c2c(cc1)c(=O)c(C)c(C)o2
inchi:
InChI=1S/C17H21NO4/c1-11-12(2)22-17-13(16(11)19)4-5-15(20-3)14(17)10-18-6-8-21-9-7-18/h4-5H,6-10H2,1-3H3


name: Tricyclamol chloride
cas: 3818-88-0
dtxsid: DTXSID10959111
formula: C20H32NO
inchikey: PISKUTGWQHZKIK-UHFFFAOYSA-N
norman_susdat_id: NS00046148
pubchem_cid: 23446997
smiles: Cl.OC(C=1C=CC=CC1)(CC[N+]2(C)CCCC2)C3CCCCC3
inchi:
InChI=1/C20H32NO.ClH/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3;1H/q+1;


cas: 38185-48-7
dtxsid: DTXSID30959113
formula: C33H26O10
inchikey: PAQLVBBEBYHSEA-UHFFFAOYSA-N
norman_susdat_id: NS00057355
pubchem_cid: NA
smiles: O=C1C=C2OC=3C(C=C2C=C1O)=C4C(OC)=C(O)C(OC)=CC4=C(C=5C=CC(O)=CC5OC)C3CC6=CC=C(O)C(O)=C6
name:
6-[(3,4-dihydroxyphenyl)methyl]-2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-1,3-dimethoxy-9H-benzo[a]xanthen-9-one

inchi:
InChI=1/C33H26O10/c1-40-27-12-17(34)5-6-18(27)29-19-13-28(41-2)31(39)33(42-3)30(19)21-10-16-11-24(37)25(38)14-26(16)43-32(21)20(29)8-15-4-7-22(35)23(36)9-15/h4-7,9-14,34-37,39H,8H2,1-3H3


name: Piperacetazine
cas: 3819-00-9
chebiid: CHEBI:92293
chemspiderid: 18533
dtxsid: DTXSID7023481
formula: C24H30N2O2S1
inchikey: BTFMCMVEUCGQDX-UHFFFAOYSA-N
norman_susdat_id: NS00030354
pubchem_cid: 19675
smiles: CC(=O)c1cc2c(Sc3c(cccc3)N2CCCN2CCC(CCO)CC2)cc1
inchi:
InChI=1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3


name: Sodium 4-acetamido-5-hydroxy-6-[(2,3,5-trichloro-6-hydroxyphenyl)azo]naphthalene-1-sulphonate
cas: 3819-12-3
dtxsid: DTXSID3063203
formula: C18H12Cl3N3O6S
inchikey: IIUJSCUJANTIPZ-UHFFFAOYSA-M
norman_susdat_id: NS00046149
pubchem_cid: 77438
smiles: [Na+].O=C(NC=1C=CC(=C2C=CC(N=NC=3C(Cl)=C(Cl)C=C(Cl)C3O)=C(O)C12)S(=O)(=O)[O-])C
inchi:
InChI=1/C18H12Cl3N3O6S.Na/c1-7(25)22-11-4-5-13(31(28,29)30)8-2-3-12(18(27)14(8)11)23-24-16-15(21)9(19)6-10(20)17(16)26;/h2-6,26-27H,1H3,(H,22,25)(H,28,29,30);/q;+1/p-1


name: Bis(m-chlorobenzo)hydrazide
cas: 38192-14-2
chemspiderid: 87342
dtxsid: DTXSID90191577
formula: C14H10Cl2N2O2
inchikey: SHOGETHEQFLESV-UHFFFAOYSA-N
norman_susdat_id: NS00030355
pubchem_cid: 96738
smiles: Clc1cc(ccc1)C(=O)NNC(=O)c1cc(Cl)ccc1
inchi:
InChI=1S/C14H10Cl2N2O2/c15-11-5-1-3-9(7-11)13(19)17-18-14(20)10-4-2-6-12(16)8-10/h1-8H,(H,17,19)(H,18,20)


name: Sulindac
cas: 38194-50-2
chebiid: CHEBI:9352
chemspiderid: 1265915
dtxsid: DTXSID4023624
formula: C20H17F1O3S1
inchikey: MLKXDPUZXIRXEP-MFOYZWKCSA-N
norman_susdat_id: NS00006901
pubchem_cid: 1548887
smiles: CC1=C(CC(O)=O)c2cc(F)ccc2C1=C/c1ccc(cc1)S(C)=O
inchi:
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)
cas: 38196-44-0
dtxsid: DTXSID10191579
formula: C32H45FO7
inchikey: VPPBYLVCVQXCGD-LKKVRGJNSA-N
norman_susdat_id: NS00056567
pubchem_cid: 3084694
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCCC)(C(=O)COC(=O)CCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3


name: 4-Androsten-11beta-ol-3,17-dione
cas: 382-44-5
chebiid: CHEBI:27967
dtxsid: DTXSID8040931
formula: C19H26O3
inchikey: WSCUHXPGYUMQEX-KCZNZURUSA-N
norman_susdat_id: NS00067034
smiles: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1


name: Androst-4-ene-3,11,17-trione
cas: 382-45-6
chebiid: CHEBI:2495
formula: C19H24O3
inchikey: RZRPTBIGEANTGU-IRIMSJTPSA-N
norman_susdat_id: NS00042221
pubchem_cid: 223997
smiles: O=C1C=C2CCC3C(C(=O)CC4(C(=O)CCC34)C)C2(C)CC1
inchi:
InChI=1/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3


name: 9-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
cas: 382-66-1
dtxsid: DTXSID50959150
formula: C22H29FO7S
inchikey: KAJUOVVZFKDIDI-SBTDHBFYSA-N
norman_susdat_id: NS00041759
pubchem_cid: 20841599
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COS(=O)(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C22H29FO7S/c1-19-8-6-14(24)10-13(19)4-5-16-15-7-9-21(27,18(26)12-30-31(3,28)29)20(15,2)11-17(25)22(16,19)23/h6,8,10,15-17,25,27H,4-5,7,9,11-12H2,1-3H3


name: Desoximetasone
cas: 382-67-2
chemspiderid: 9410
dtxsid: DTXSID3045647
formula: C22H29F1O4
inchikey: VWVSBHGCDBMOOT-OKPPOTDYSA-N
norman_susdat_id: NS00008529
pubchem_cid: 9793
smiles: C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC2(C)C1C(=O)CO
inchi:
InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1


name: Diethyl[2-[3-(p-methoxyphenyl)-2-phenylpropionyloxy]ethyl]ammonium chloride
cas: 3820-14-2
dtxsid: DTXSID90959154
formula: C22H29NO3
inchikey: ONSDBVPINMGIBB-UHFFFAOYSA-N
norman_susdat_id: NS00045634
pubchem_cid: 3085208
smiles: [Cl-].O=C(OCC[NH+](CC)CC)C(C=1C=CC=CC1)CC2=CC=C(OC)C=C2
inchi:
InChI=1/C22H29NO3.ClH/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18;/h6-14,21H,4-5,15-17H2,1-3H3;1H


name: Glafenine
cas: 3820-67-5
chebiid: CHEBI:31653
chemspiderid: 3355
dtxsid: DTXSID1048546
formula: C19H17Cl1N2O4
inchikey: GWOFUCIGLDBNKM-UHFFFAOYSA-N
norman_susdat_id: NS00008803
pubchem_cid: 3474
smiles: OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12
inchi:
InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22)


name: Tris(4-ethylphenyl) phosphate
cas: 3820-69-7
dtxsid: DTXSID60191584
formula: C24H27O4P
inchikey: BMPBPTNLNBRGOT-UHFFFAOYSA-N
norman_susdat_id: NS00044877
pubchem_cid: 77441
smiles: O=P(OC1=CC=C(C=C1)CC)(OC2=CC=C(C=C2)CC)OC3=CC=C(C=C3)CC
inchi:
InChI=1/C24H27O4P/c1-4-19-7-13-22(14-8-19)26-29(25,27-23-15-9-20(5-2)10-16-23)28-24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3


name: N-ethyl-N-[2-(phosphonooxy)ethyl]perfluorooctanesulfonamide
cas: 3820-83-5
chemspiderid: 69851
dtxsid: DTXSID8063204
formula: C12H11F17N1O6P1S1
inchikey: JRSUJBJSUYPODE-UHFFFAOYSA-N
norman_susdat_id: NS00011111
pubchem_cid: 77442
smiles: C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[S](=O)(=O)N(CC)CCO[P](=O)(O[H])O[H]
inchi:
InChI=1S/C12H11F17NO6PS/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-4H2,1H3,(H2,31,32,33)


name: 3,7-Bis(1-methyl-1-phenylethyl)-10H-phenothiazine
cas: 38201-66-0
chemspiderid: 2283997
dtxsid: DTXSID40191587
formula: C30H29N1S1
inchikey: ZKMLFEHQOYQZCB-UHFFFAOYSA-N
norman_susdat_id: NS00030356
pubchem_cid: 3015964
smiles: CC(C)(c1ccccc1)c1cc2c(Nc3c(S2)cc(cc3)C(C)(C)c2ccccc2)cc1
inchi:
InChI=1S/C30H29NS/c1-29(2,21-11-7-5-8-12-21)23-15-17-25-27(19-23)32-28-20-24(16-18-26(28)31-25)30(3,4)22-13-9-6-10-14-22/h5-20,31H,1-4H3


name: N,N'-didocosyladipamide
cas: 38207-56-6
dtxsid: DTXSID60191589
formula: C50H100N2O2
inchikey: QJSDGYWDRSAVIJ-UHFFFAOYSA-N
norman_susdat_id: NS00056481
pubchem_cid: 3015965
smiles: O=C(NCCCCCCCCCCCCCCCCCCCCCC)CCCCC(=O)NCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H100N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-51-49(53)45-41-42-46-50(54)52-48-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3,(H,51,53)(H,52,54)


name: 2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-
cas: 38215-36-0
chebiid: CHEBI:51942
chemspiderid: 90668
dtxsid: DTXSID5068079
formula: C20H18N2O2S1
inchikey: VBVAVBCYMYWNOU-UHFFFAOYSA-N
norman_susdat_id: NS00030357
pubchem_cid: 100334
smiles: CCN(CC)c1cc2c(cc1)cc(c1nc3c(s1)cccc3)c(=O)o2
inchi:
InChI=1S/C20H18N2O2S/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19/h5-12H,3-4H2,1-2H3


name: Citric acid, copper sodium salt
cas: 38218-87-0
formula: C6H8O7.xCu.xNa
inchikey: OFFXOAFOXHNZRU-UHFFFAOYSA-L
norman_susdat_id: NS00088362
smiles: [Na+].[Cu+].OC(=O)CC(O)(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Cu.Na/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);;/q;2*+1/p-2


name: Pyroxamide
cas: 382180-17-8
chebiid: CHEBI:93953
dtxsid: DTXSID70191595
formula: C13H19N3O3
inchikey: PTJGLFIIZFVFJV-UHFFFAOYSA-N
norman_susdat_id: NS00069328
pubchem_cid: 4996
smiles: O=C(CCCCCCC(=O)Nc1cccnc1)NO
inchi:
InChI=1S/C13H19N3O3/c17-12(15-11-6-5-9-14-10-11)7-3-1-2-4-8-13(18)16-19/h5-6,9-10,19H,1-4,7-8H2,(H,15,17)(H,16,18)


name: 4-((N-Acetyl-L-tyrosyl)amino)benzoic acid
cas: 38219-60-2
chemspiderid: 2298913
dtxsid: DTXSID90191597
formula: C18H18N2O5
inchikey: KBMLOINBCRNELT-INIZCTEOSA-N
norman_susdat_id: NS00030358
pubchem_cid: 3034472
smiles: CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(cc1)C(=O)O
inchi:
InChI=1S/C18H18N2O5/c1-11(21)19-16(10-12-2-8-15(22)9-3-12)17(23)20-14-6-4-13(5-7-14)18(24)25/h2-9,16,22H,10H2,1H3,(H,19,21)(H,20,23)(H,24,25)/t16-/m0/s1


name: Benzenepropanamide, N-[4-[[(4-methylphenyl)(3-phenylpropyl)amino]sulfonyl]phenyl]-.beta.-oxo-
cas: 38219-91-9
chemspiderid: 148676
dtxsid: DTXSID4068080
formula: C31H30N2O4S1
inchikey: OVSHMCBRVQWMHK-UHFFFAOYSA-N
norman_susdat_id: NS00030359
pubchem_cid: 170016
smiles: Cc1ccc(cc1)N(CCCc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CC(=O)c2ccccc2)cc1
inchi:
InChI=1S/C31H30N2O4S/c1-24-14-18-28(19-15-24)33(22-8-11-25-9-4-2-5-10-25)38(36,37)29-20-16-27(17-21-29)32-31(35)23-30(34)26-12-6-3-7-13-26/h2-7,9-10,12-21H,8,11,22-23H2,1H3,(H,32,35)


name: 6-Chloro-2-cyclohexyl-2,3-dihydro-1,3-dioxo-1H-isoindole-5-sulphonamide
cas: 3822-99-9
chemspiderid: 69853
dtxsid: DTXSID10191599
formula: C14H15Cl1N2O4S1
inchikey: TXIGQWQDDHQHSS-UHFFFAOYSA-N
norman_susdat_id: NS00030364
pubchem_cid: 77444
smiles: NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(C1CCCCC1)C2=O
inchi:
InChI=1S/C14H15ClN2O4S/c15-11-6-9-10(7-12(11)22(16,20)21)14(19)17(13(9)18)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,16,20,21)


name: Disopyramide,Â Desalkyl
cas: 38236-46-3
chebiid: CHEBI:174148
chemspiderid: 96996
formula: C18H23N3O1
inchikey: UWNSWIXIVDMCHZ-UHFFFAOYSA-N
norman_susdat_id: NS00007613
pubchem_cid: 107858
smiles: CC(C)NCCC(C(O)=N)(c1ccccc1)c1ccccn1
inchi:
InChI=1S/C18H23N3O/c1-14(2)20-13-11-18(17(19)22,15-8-4-3-5-9-15)16-10-6-7-12-21-16/h3-10,12,14,20H,11,13H2,1-2H3,(H2,19,22)


name: Zinterol
cas: 38241-28-0
chemspiderid: 34824
formula: C19H26N2O4S1
inchikey: LVNUBJDWJFOMKH-UHFFFAOYSA-N
norman_susdat_id: NS00040646
pubchem_cid: 37989
smiles: Cl.CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1
inchi:
InChI=1S/C19H26N2O4S.ClH/c1-19(2,12-14-7-5-4-6-8-14)20-13-18(23)15-9-10-17(22)16(11-15)21-26(3,24)25;/h4-11,18,20-23H,12-13H2,1-3H3;1H


name: Ammonium perfluorooctanoate
cas: 3825-26-1
chemspiderid: 56299
dtxsid: DTXSID8037708
formula: C8H2F15N1O2
inchikey: YOALFLHFSFEMLP-UHFFFAOYSA-N
norman_susdat_id: NS00002644
pubchem_cid: 2776282
smiles: [H][N]([H])([H])([H])OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);1H3


name: Disodium 4,4'-bis[(4-methoxy-6-phenoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 3827-17-6
dtxsid: DTXSID40889477
formula: C34H28N8O10S2
inchikey: QOUSWCXOGQNVHK-QDBORUFSSA-L
norman_susdat_id: NS00045592
pubchem_cid: NA
inchi:
InChI=1/C34H28N8O10S2.2Na/c1-49-31-37-29(39-33(41-31)51-25-9-5-3-6-10-25)35-23-17-15-21(27(19-23)53(43,44)45)13-14-22-16-18-24(20-28(22)54(46,47)48)36-30-38-32(50-2)42-34(40-30)52-26-11-7-4-8-12-26;;/h3-20H,1-2H3,(H,43,44,45)(H,46,47,48)(H,35,37,39,41)(H,36,38,40,42);;/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)OC)OC=4C=CC=CC4)NC=5N=C(N=C(N5)OC)OC=6C=CC=CC6


name: Burchellin
cas: 38276-59-4
chemspiderid: 90551
dtxsid: DTXSID20959203
formula: C20H20O5
inchikey: SOLJFAQVSWXZEQ-UHFFFAOYSA-N
norman_susdat_id: NS00067926
pubchem_cid: 100199
inchi:
InChI=1S/C20H20O5/c1-4-7-20-10-17(22-3)14(21)9-18(20)25-19(12(20)2)13-5-6-15-16(8-13)24-11-23-15/h4-6,8-10,12,19H,1,7,11H2,2-3H3


name: Rhodojaponin VII
cas: 38290-01-6
chemspiderid: 101316852
formula: C24H38O9
inchikey: WZGFOLQVPYVJCB-CJHYVOLASA-N
norman_susdat_id: NS00093923
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]([C@@H]4O)O)(C)C)O)(C)O)(C)O


cas: 38294-64-3
norman_susdat_id: NS00112823
name:
4,4-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with 3-aminomethyl-3,5,5-trimethylcyclohexylamine


name: 2-(N-Butylperfluorooctanesulfonamido)ethyl acrylate
cas: 383-07-3
chemspiderid: 61158
dtxsid: DTXSID40861915
formula: C17H16F17N1O4S1
inchikey: AQQNNAXBGPWALO-UHFFFAOYSA-N
norman_susdat_id: NS00011344
pubchem_cid: 67841
smiles: CCCCN(CCOC(=O)C=C)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H16F17NO4S/c1-3-5-6-35(7-8-39-9(36)4-2)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h4H,2-3,5-8H2,1H3


name: Sodium perfluorodecanoate
cas: 3830-45-3
dtxsid: DTXSID20880028
formula: C10F19NaO2
inchikey: HHJPUGPQEALNIL-UHFFFAOYSA-M
norman_susdat_id: NS00109566
smiles: [Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10HF19O2.Na/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);/q;+1/p-1


cas: 3830-74-8
chemspiderid: 2055446
dtxsid: DTXSID40660107
formula: C42H26F64N3O6P3
inchikey: NYIFVLKUMGMTPW-UHFFFAOYSA-N
norman_susdat_id: NS00019043
pubchem_cid: 44717183
name:
2,2,4,4,6-Pentakis[(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)oxy]-6-[(2,2,7,7-tetrafluoroheptyl)oxy]-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

inchi:
InChI=1S/C42H26F64N3O6P3/c43-11(44)3-1-2-4-17(55,56)5-110-116(111-6-18(57,58)28(77,78)38(97,98)33(87,88)23(67,68)12(45)46)107-117(112-7-19(59,60)29(79,80)39(99,100)34(89,90)24(69,70)13(47)48,113-8-20(61,62)30(81,82)40(101,102)35(91,92)25(71,72)14(49)50)109-118(108-116,114-9-21(63,64)31(83,84)41(103,104)36(93,94)26(73,74)15(51)52)115-10-22(65,66)32(85,86)42(105,106)37(95,96)27(75,76)16(53)54/h11-16H,1-10H2

smiles:
FC(F)CCCCC(F)(F)COP1(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)=N1


cas: 38304-52-8
dtxsid: DTXSID10885709
formula: C22H32N4O8
inchikey: RXBBSTXUVVVWRC-UHFFFAOYSA-N
norman_susdat_id: NS00056126
pubchem_cid: 61978
smiles: O=C1N(C(=O)C(N1CC2OC2)(C)C)CC(OCC3OC3)CN4C(=O)N(CC5OC5)C(C4=O)(C)C
name:
3,3'-[2-(oxiranylmethoxy)propane-1,3-diyl]bis[5,5-dimethyl-1-(oxiranylmethyl)imidazolidine-2,4-dione]

inchi:
InChI=1/C22H32N4O8/c1-21(2)17(27)23(19(29)25(21)7-14-9-32-14)5-13(31-11-16-12-34-16)6-24-18(28)22(3,4)26(20(24)30)8-15-10-33-15/h13-16H,5-12H2,1-4H3


name: (R)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinoline
cas: 38325-02-9
formula: C21H25NO4
inchikey: RUZIUYOSRDWYQF-OAHLLOKOSA-N
norman_susdat_id: NS00088381
smiles: COc1cc2C[C@H]3N(C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
inchi:
InChI=1/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3


name: Homofenazine
cas: 3833-99-6
chebiid: CHEBI:59071
chemspiderid: 18545
dtxsid: DTXSID30191697
formula: C23H28F3N3O1S1
inchikey: LOHNHQLZFYCAEQ-UHFFFAOYSA-N
norman_susdat_id: NS00001046
pubchem_cid: 19687
smiles: OCCN1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
inchi:
InChI=1S/C23H28F3N3OS/c24-23(25,26)18-7-8-22-20(17-18)29(19-5-1-2-6-21(19)31-22)12-4-11-27-9-3-10-28(14-13-27)15-16-30/h1-2,5-8,17,30H,3-4,9-16H2


name: Pentakis(isobutyl)di-µ-oxotrialuminium
cas: 38338-53-3
formula: C20H45Al3O2
inchikey: FIAHJXNXAMAEQJ-UHFFFAOYSA-N
norman_susdat_id: NS00088870
smiles: CC(C)C[Al](CC(C)C)O[Al](CC(C)C)O[Al](CC(C)C)CC(C)C
inchi:
InChI=1/5C4H9.3Al.2O/c5*1-4(2)3;;;;;/h5*4H,1H2,2-3H3;;;;;/rC20H45Al3O2/c1-16(2)11-21(12-17(3)4)24-23(15-20(9)10)25-22(13-18(5)6)14-19(7)8/h16-20H,11-15H2,1-10H3


cas: 38339-18-3
chemspiderid: 2854376
dtxsid: DTXSID50959271
formula: C12H18Cl2N2O2
inchikey: BWURCANZQUYPLR-UHFFFAOYSA-N
norman_susdat_id: NS00000156
pubchem_cid: 217252
smiles: Clc1cc(cc(Cl)c1N)C(O)CNC(C)(C)CO
name:
2-{[2-(4-Amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino}-2-methylpropan-1-olH (Hydroxymethyl clenbuterol)

inchi:
InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3


name: Clen-iso-hexerol
cas: 38339-23-0
chemspiderid: 188267
formula: C14H22Cl2N2O1
inchikey: KHXXYLDDCIKREX-UHFFFAOYSA-N
norman_susdat_id: NS00040610
pubchem_cid: 217256
smiles: CCCC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
inchi:
InChI=1S/C14H22Cl2N2O/c1-4-5-14(2,3)18-8-12(19)9-6-10(15)13(17)11(16)7-9/h6-7,12,18-19H,4-5,8,17H2,1-3H3


name: SID: 137275945
cas: 383432-38-0
chebiid: CHEBI:167658
formula: C27H27N5O3
inchikey: LLVZBTWPGQVVLW-SNAWJCMRSA-N
norman_susdat_id: NS00069298
pubchem_cid: 9874913
smiles: COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
inchi:
InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+


name: Decyl hydrogen sulphate, manganese(2+) salt
cas: 38344-88-6
formula: C12H26O4S.1/2Mn
inchikey: XNOVTKYXONNKRE-UHFFFAOYSA-L
norman_susdat_id: NS00088197
smiles: [Mn++].CCCCCCCCCCCCOS([O-])(=O)=O.CCCCCCCCCCCCOS([O-])(=O)=O
inchi:
InChI=1/2C12H26O4S.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2*2-12H2,1H3,(H,13,14,15);/q;;+2/p-2


name: Taxinine
cas: 3835-52-7
chemspiderid: 10054413
formula: C35H42O9
inchikey: BAYHEZUZRPMUDM-RZHPVIQDSA-N
norman_susdat_id: NS00093873
pubchem_cid: 8229973
smiles:
CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C


cas: 38353-81-0
formula: C51H50N6O12
inchikey: VXLGXABNMKFVOG-UHFFFAOYSA-N
norman_susdat_id: NS00056625
pubchem_cid: 170037
name:
2-ethyl-2-[[[[[4-methyl-3-[(phenoxycarbonyl)amino]phenyl]amino]carbonyl]oxy]methyl]propane-1,3-diyl bis[[4-methyl-3-[(phenoxycarbonyl)amino]phenyl]carbamate]

inchi:
InChI=1/C51H50N6O12/c1-5-51(30-64-45(58)52-36-24-21-33(2)42(27-36)55-48(61)67-39-15-9-6-10-16-39,31-65-46(59)53-37-25-22-34(3)43(28-37)56-49(62)68-40-17-11-7-12-18-40)32-66-47(60)54-38-26-23-35(4)44(29-38)57-50(63)69-41-19-13-8-14-20-41/h6-29H,5,30-32H2,1-4H3,(H,52,58)(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,57,63)

smiles:
O=C(OC=1C=CC=CC1)NC2=CC(=CC=C2C)NC(=O)OCC(COC(=O)NC3=CC=C(C(=C3)NC(=O)OC=4C=CC=CC4)C)(COC(=O)NC5=CC=C(C(=C5)NC(=O)OC=6C=CC=CC6)C)CC


name: Noristerat
cas: 3836-23-5
chebiid: CHEBI:34894
chemspiderid: 199613
dtxsid: DTXSID2048664
formula: C27H38O3
inchikey: APTGJECXMIKIET-WOSSHHRXSA-N
norman_susdat_id: NS00030374
pubchem_cid: 229295
smiles: CCCCCCC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
inchi:
InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1


name: 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 3836-78-0
dtxsid: DTXSID8063206
formula: C17H11ClF3N3O4S
inchikey: QUNVBZBEOIMRIE-UHFFFAOYSA-N
norman_susdat_id: NS00044894
pubchem_cid: 42555
smiles: O=S(=O)(O)C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(Cl)C=C3C(F)(F)F)=C1
inchi:
InChI=1/C17H11ClF3N3O4S/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16/h1-7,25H,22H2,(H,26,27,28)


name: Penbutolol
cas: 38363-40-5
chemspiderid: 142523
formula: C18H29N1O2
inchikey: KQXKVJAGOJTNJS-OAHLLOKOSA-N
norman_susdat_id: NS00002357
pubchem_cid: 162302
smiles: CC(C)(C)NC[C@@H](O)COc1ccccc1C1CCCC1
inchi:
InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1


name: Butyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 38370-68-2
formula: C22H38O2
inchikey: QQNROWCMALTXCD-XQOKXTRKSA-N
norman_susdat_id: NS00057489
pubchem_cid: 20833774
smiles: O=C(OCCCC)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C22H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h5,7,9-10,12-13H,3-4,6,8,11,14-21H2,1-2H3


name: Anhydrovinblastine
cas: 38390-45-3
dtxsid: DTXSID70873203
formula: C46H56N4O8
inchikey: FFRFGVHNKJYNOV-ZCIMLLHDSA-N
norman_susdat_id: NS00073059
pubchem_cid: 11104750
inchi:
InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44+,45-,46-/m0/s1

smiles:
CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1


name: Ganaxolone
cas: 38398-32-2
dtxsid: DTXSID6046503
formula: C22H36O2
inchikey: PGTVWKLGGCQMBR-FLBATMFCSA-N
norman_susdat_id: NS00069337
pubchem_cid: 6918305
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1


name: Pinolenic acid methyl ester
cas: 38406-57-4
chemspiderid: 21467696
formula: C19H32O2
inchikey: UHRQLTPSFITDRF-BYKHLRFOSA-N
norman_susdat_id: NS00018686
pubchem_cid: 35027731
smiles: CCCCCC=CCC=CCCC=CCCCC(=O)OC
inchi:
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,14-15H,3-6,9,12-13,16-18H2,1-2H3/b8-7-,11-10-,15-14-


name: 2-(hexadecyloxy)-5-[[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]benzenesulphonic acid
cas: 38407-79-3
dtxsid: DTXSID00191745
formula: C31H44N4O5S2
inchikey: DTIQUXHSHTXVAX-UHFFFAOYSA-N
norman_susdat_id: NS00056197
pubchem_cid: 3015975
smiles: O=C(C1=CC=C(OCCCCCCCCCCCCCCCC)C(=C1)S(=O)(=O)O)CSC2=NN=NN2C=3C=CC=CC3
inchi:
InChI=1/C31H44N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-40-29-22-21-26(24-30(29)42(37,38)39)28(36)25-41-31-32-33-34-35(31)27-19-16-15-17-20-27/h15-17,19-22,24H,2-14,18,23,25H2,1H3,(H,37,38,39)


cas: 3841-14-3
dtxsid: DTXSID3063207
formula: C34H28N6O16S4
inchikey: OHMJKMNGYYWCHB-UHFFFAOYSA-N
norman_susdat_id: NS00044895
pubchem_cid: 17461
name:
1,3-Naphthalenedisulfonic acid, 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxy-

inchi:
InChI=1/C34H28N6O16S4/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)

smiles:
O=S(=O)(O)C1=CC(=C2C=CC(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=CC=6C(C5O)=C(N)C(=CC6S(=O)(=O)O)S(=O)(=O)O)C(OC)=C4)=C(O)C2=C1N)S(=O)(=O)O


cas: 3841-15-4
formula: C37H25N7O10S2
inchikey: PTELSJWAVIWPMR-UHFFFAOYSA-K
norman_susdat_id: NS00044896
pubchem_cid: NA
name:
Trisodium 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]salicylate

inchi:
InChI=1/C37H25N7O10S2.3Na/c38-20-5-8-23-19(15-20)16-34(56(52,53)54)35(36(23)46)44-43-30-11-10-29(24-3-1-2-4-25(24)30)41-42-32-13-12-31(26-9-7-22(18-27(26)32)55(49,50)51)40-39-21-6-14-33(45)28(17-21)37(47)48;;;/h1-18,45-46H,38H2,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=CC=C(N=NC=4C(O)=C5C=CC(N)=CC5=CC4S(=O)(=O)[O-])C=6C=CC=CC36)C=7C=C(C=CC27)S(=O)(=O)[O-])=CC=C1O


name: Aloenin
cas: 38412-46-3
chebiid: CHEBI:176869
chemspiderid: 142526
dtxsid: DTXSID10191751
formula: C19H22O10
inchikey: KFJNVVJUICKJEQ-LQDZTQBFSA-N
norman_susdat_id: NS00030381
pubchem_cid: 162305
smiles: COc1cc(=O)oc(c1)c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)cc1C
inchi:
InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19+/m1/s1


name: 1,1'-Biphenyl, 4-cyclohexyl-
cas: 3842-58-8
chemspiderid: NA
dtxsid: DTXSID4073332
formula: C18H26O1
inchikey: FDPJCOQMIYJDTL-UHFFFAOYSA-N
norman_susdat_id: NS00009678
pubchem_cid: NA
smiles: OC1CCC(CC1)c1cccc(c1)C1CCCCC1
inchi:
InChI=1S/C18H26O/c19-18-11-9-15(10-12-18)17-8-4-7-16(13-17)14-5-2-1-3-6-14/h4,7-8,13-15,18-19H,1-3,5-6,9-12H2


name: 1,3,5,7-tetramethyl-1,1,3,5,7,7-hexaphenyltetrasiloxane
cas: 38421-40-8
dtxsid: DTXSID20959324
formula: C40H42O3Si4
inchikey: XQVNZAVBAUQQHU-UHFFFAOYSA-N
norman_susdat_id: NS00057184
pubchem_cid: 38026
inchi:
InChI=1/C40H42O3Si4/c1-44(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-46(3,39-31-19-9-20-32-39)43-47(4,40-33-21-10-22-34-40)42-45(2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h5-34H,1-4H3

smiles:
O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](O[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C)(C=6C=CC=CC6)C


name: Isobutyl 2-isobutoxy-2H-quinoline-1-carboxylate
cas: 38428-14-7
formula: C18H25NO3
inchikey: LPBHYOYZZIFCQT-UHFFFAOYSA-N
norman_susdat_id: NS00057185
pubchem_cid: 100621
smiles: O=C(OCC(C)C)N1C=2C=CC=CC2C=CC1OCC(C)C
inchi:
InChI=1/C18H25NO3/c1-13(2)11-21-17-10-9-15-7-5-6-8-16(15)19(17)18(20)22-12-14(3)4/h5-10,13-14,17H,11-12H2,1-4H3


name: Dimethyldi(octadecyl)ammonium methyl sulphate
cas: 3843-16-1
formula: C38H80N.CH3O4S
inchikey: FPDLLPXYRWELCU-UHFFFAOYSA-M
norman_susdat_id: NS00081195
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]
inchi:
InChI=1/C38H80N.CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-6(2,3)4/h5-38H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Chromium tristearate
cas: 3843-17-2
formula: C18H36O2.1/3Cr
inchikey: KRIDRIVYMYWNBL-UHFFFAOYSA-K
norman_susdat_id: NS00081196
smiles: [Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Cr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+2/p-3


name: 1-Naphthalenesulfonamide, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-N-methyl-
cas: 3843-41-2
chemspiderid: 69860
dtxsid: DTXSID2063210
formula: C17H14Cl1N5O4S1
inchikey: GPBGNHRBAZSRJF-UHFFFAOYSA-N
norman_susdat_id: NS00030385
pubchem_cid: 77451
smiles: CNS(=O)(=O)c1cccc2c(N=Nc3c(Cl)cc(cc3)[N+](=O)[O-])c(N)ccc12
inchi:
InChI=1S/C17H14ClN5O4S/c1-20-28(26,27)16-4-2-3-12-11(16)6-7-14(19)17(12)22-21-15-8-5-10(23(24)25)9-13(15)18/h2-9,20H,19H2,1H3/b22-21+


name: Dimethyl(naphthylmethyl)[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride
cas: 38430-61-4
dtxsid: DTXSID60959328
formula: C33H54NO2
inchikey: BGFGTJZIHQTXHZ-UHFFFAOYSA-M
norman_susdat_id: NS00056693
pubchem_cid: 6365406
smiles: [Cl-].O=C(OCC[N+](C)(C)CC1=CC=CC=2C=CC=CC21)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-33(35)36-28-27-34(2,3)29-31-24-21-23-30-22-19-20-25-32(30)31;/h19-25H,4-18,26-29H2,1-3H3;1H/q+1;/p-1


cas: 38432-19-8
chemspiderid: 148701
dtxsid: DTXSID3068097
formula: C16H17N9O2
inchikey: CJPNQUBNSDHCSV-UHFFFAOYSA-N
norman_susdat_id: NS00030384
pubchem_cid: 170048
smiles: CC(C)Nc1nc(nc2c1nnc1c3cc(ccc3nn21)[N+](=O)[O-])N(C)C
name:
Pyrimido[4',5':5,6][1,2,4]triazino[4,3-b]indazole-2,4-diamine, N2,N2-dimethyl-N4-(1-methylethyl)-8-nitro-

inchi:
InChI=1S/C16H17N9O2/c1-8(2)17-13-12-15(19-16(18-13)23(3)4)24-14(21-20-12)10-7-9(25(26)27)5-6-11(10)22-24/h5-8H,1-4H3,(H,17,18,19)


name: FD&C Blue No. 1
cas: 3844-45-9
chemspiderid: 16603
dtxsid: DTXSID2020189
formula: C37H37N2O9S3
inchikey: CTRXDTYTAAKVSM-UHFFFAOYSA-O
norman_susdat_id: NS00005570
pubchem_cid: 17560
inchi:
InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1

smiles:
CCN(Cc1cccc(c1)S(O)(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S(O)(=O)=O)c1ccccc1S(O)(=O)=O


name: Benzoic acid, 4-methoxy-, 4-pentylphenyl ester
cas: 38444-13-2
chemspiderid: 85267
dtxsid: DTXSID3068099
formula: C19H22O3
inchikey: UISXVYOLBGBYCV-UHFFFAOYSA-N
norman_susdat_id: NS00030387
pubchem_cid: 94486
smiles: CCCCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1
inchi:
InChI=1S/C19H22O3/c1-3-4-5-6-15-7-11-18(12-8-15)22-19(20)16-9-13-17(21-2)14-10-16/h7-14H,3-6H2,1-2H3


name: Benzoic acid, 4-(hexyloxy)-, 4-pentylphenyl ester
cas: 38444-15-4
chemspiderid: 148703
dtxsid: DTXSID5068100
formula: C24H32O3
inchikey: IRMSQSDYVDQMKE-UHFFFAOYSA-N
norman_susdat_id: NS00030388
pubchem_cid: 170050
smiles: CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(CCCCC)cc1
inchi:
InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-17-13-21(14-18-22)24(25)27-23-15-11-20(12-16-23)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3


name: Benzoic acid, 4-[(1-oxohexyl)oxy]-, 4-heptylphenyl ester
cas: 38444-29-0
chemspiderid: 148704
dtxsid: DTXSID0068101
formula: C26H34O4
inchikey: ZFRGBMGYFWSSJR-UHFFFAOYSA-N
norman_susdat_id: NS00030389
pubchem_cid: 170051
smiles: CCCCCCCc1ccc(OC(=O)c2ccc(OC(=O)CCCCC)cc2)cc1
inchi:
InChI=1S/C26H34O4/c1-3-5-7-8-10-11-21-13-17-24(18-14-21)30-26(28)22-15-19-23(20-16-22)29-25(27)12-9-6-4-2/h13-20H,3-12H2,1-2H3


cas: 38449-92-2
dtxsid: DTXSID30889729
formula: C36H31N9O9S2
inchikey: NRNGJRUVOBAAQC-UHFFFAOYSA-L
norman_susdat_id: NS00057092
pubchem_cid: 135853681
name:
Disodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H31N9O9S2.2Na/c1-53-28-14-19(8-11-26(28)42-41-25-13-10-22(37)18-24(25)38)20-9-12-27(29(15-20)54-2)43-44-34-30(55(47,48)49)16-21-17-31(56(50,51)52)35(36(46)32(21)33(34)39)45-40-23-6-4-3-5-7-23;;/h3-18,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3OC)C=4C=CC(N=NC5=CC=C(N)C=C5N)=C(OC)C4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


name: Succinimido (S)-2-[(tert-butoxycarbonyl)amino]-4-(methylthio)butyrate
cas: 3845-64-5
formula: C14H22N2O6S
inchikey: PCZJWSPKNYONIM-UHFFFAOYSA-N
norman_susdat_id: NS00045650
pubchem_cid: 100149
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CCSC
inchi:
InChI=1/C14H22N2O6S/c1-14(2,3)21-13(20)15-9(7-8-23-4)12(19)22-16-10(17)5-6-11(16)18/h9H,5-8H2,1-4H3,(H,15,20)


name: N2-trityl-L-arginine
cas: 38453-62-2
formula: C25H28N4O2
inchikey: XOPFDFWTKCSBGX-QFIPXVFZSA-N
norman_susdat_id: NS00057237
pubchem_cid: 97292
smiles: O=C(O)C(NC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)CCCNC(=N)N
inchi:
InChI=1/C25H28N4O2/c26-24(27)28-18-10-17-22(23(30)31)29-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22,29H,10,17-18H2,(H,30,31)(H4,26,27,28)


name: Benzenesulfonic acid, 4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-
cas: 38455-53-7
chemspiderid: 7842555
dtxsid: DTXSID6074621
formula: C19H16N4O6S1
inchikey: LMWVIMOPAMZMLR-UHFFFAOYSA-N
norman_susdat_id: NS00030393
pubchem_cid: NA
smiles: CC1=CC(=O)C=C/C/1=NNc1ccc(Nc2c(cc(cc2)S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C19H16N4O6S/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26/h2-11,20-21H,1H3,(H,27,28,29)/b22-17+


name: Stearic acid, compound with 2,2'-iminodiethanol (3:1)
cas: 38455-64-0
formula: C18H36O2.1/3C4H11NO2
inchikey: GVUWQURWWMMPQV-UHFFFAOYSA-N
norman_susdat_id: NS00088544
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/3C18H36O2.C4H11NO2/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h3*2-17H2,1H3,(H,19,20);5-7H,1-4H2


name: 1,3-Diethyl-1,3-bis(4-nitrophenyl)urea
cas: 3846-49-9
chemspiderid: 69862
dtxsid: DTXSID90191779
formula: C17H18N4O5
inchikey: PJTRUXHYQYQMTG-UHFFFAOYSA-N
norman_susdat_id: NS00030396
pubchem_cid: 77453
smiles: CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H18N4O5/c1-3-18(13-5-9-15(10-6-13)20(23)24)17(22)19(4-2)14-7-11-16(12-8-14)21(25)26/h5-12H,3-4H2,1-2H3


name: 2-Benzotriazol-2-yl-4,6-di-tert-butylphenol
cas: 3846-71-7
chemspiderid: 69864
dtxsid: DTXSID4052059
formula: C20H25N3O1
inchikey: LHPPDQUVECZQSW-UHFFFAOYSA-N
norman_susdat_id: NS00005766
pubchem_cid: 77455
smiles: CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)-n1nc2ccccc2n1
inchi:
InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3


name: NSC326382
cas: 38468-90-5
chemspiderid: 293961
dtxsid: DTXSID20318139
formula: C19H14N2O2
inchikey: KASNPOYHLFNPSI-UHFFFAOYSA-N
norman_susdat_id: NS00016858
pubchem_cid: 331769
smiles: COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=CC=C3)C#N
inchi:
InChI=1S/C19H14N2O2/c1-23-15-9-7-13(8-10-15)16-11-18(14-5-3-2-4-6-14)21-19(22)17(16)12-20/h2-11H,1H3,(H,21,22)


name: Kanamycin A sulphate
cas: 3847-27-6
chebiid: CHEBI:6109
formula: C18H36N4O11.xH2O4S
inchikey: OOYGSFOGFJDDHP-KMCOLRRFSA-N
norman_susdat_id: NS00081901
inchi:
InChI=1/C18H36N4O11.H2O4S/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)

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


name: Erythromycin lactobionate
cas: 3847-29-8
formula: C37H67NO13.C12H22O12
inchikey: NNRXCKZMQLFUPL-WBMZRJHASA-N
norman_susdat_id: NS00093445
inchi:
InChI=1/C37H67NO13.C12H22O12/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(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;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;3-10,12-20H,1-2H2,(H,21,22)

smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.OC[C@@H](O)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)C(=O)O


name: 9-(4-aminophenyl)-2-methylacridin-3-amine monohydrochloride
cas: 38475-96-6
formula: C20H17N3.ClH
inchikey: VDAIXKMDNWTBBT-UHFFFAOYSA-N
norman_susdat_id: NS00089203
smiles: Cl.Cc1cc2c(c3ccc(N)cc3)c4ccccc4nc2cc1N
inchi:
InChI=1/C20H17N3.ClH/c1-12-10-16-19(11-17(12)22)23-18-5-3-2-4-15(18)20(16)13-6-8-14(21)9-7-13;/h2-11H,21-22H2,1H3;1H


name: 1,3-Bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]propan-2-ol
cas: 384828-83-5
dtxsid: DTXSID40895730
formula: C15H14F18O3
inchikey: KFFIJCKFHFFBBZ-UHFFFAOYSA-N
norman_susdat_id: NS00110396
smiles: OC(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H14F18O3/c16-8(17,10(20,21)12(24,25)14(28,29)30)1-3-35-5-7(34)6-36-4-2-9(18,19)11(22,23)13(26,27)15(31,32)33/h7,34H,1-6H2


name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(4-nitrophenyl)azo]-3-oxobutyramide
cas: 38489-19-9
dtxsid: DTXSID10885724
formula: C18H18ClN4O6
inchikey: NBZQPSZHCJZKPE-UHFFFAOYSA-N
norman_susdat_id: NS00057149
pubchem_cid: 170060
smiles: O=C(NC1=CC(OC)=C(Cl)C=C1OC)C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C18H17ClN4O6/c1-10(24)17(22-21-11-4-6-12(7-5-11)23(26)27)18(25)20-14-9-15(28-2)13(19)8-16(14)29-3/h4-9,17H,1-3H3,(H,20,25)


name: 5-Chloro-2-(2-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)phenyl acetate
cas: 38506-72-8
dtxsid: DTXSID10896173
formula: C19H11Cl2F17O2
inchikey: ZHZVFKZCPDCNHG-UHFFFAOYSA-N
norman_susdat_id: NS00109395
smiles: CC(=O)Oc1cc(Cl)ccc1CC(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C19H11Cl2F17O2/c1-7(39)40-11-5-9(20)3-2-8(11)4-10(21)6-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h2-3,5,10H,4,6H2,1H3


name: 4-Chloro-2-(2-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)phenyl acetate
cas: 38506-76-2
dtxsid: DTXSID80896165
formula: C19H11Cl2F17O2
inchikey: NVGMZQYQNNPDAJ-UHFFFAOYSA-N
norman_susdat_id: NS00111794
smiles: CC(=O)Oc1ccc(Cl)cc1CC(Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C19H11Cl2F17O2/c1-7(39)40-11-3-2-9(20)4-8(11)5-10(21)6-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h2-4,10H,5-6H2,1H3


cas: 38506-78-4
dtxsid: DTXSID80896226
formula: C19H9Cl4F17O2
inchikey: JDRLLIHRNJZEPG-UHFFFAOYSA-N
norman_susdat_id: NS00111800
smiles: CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CC(Cl)CC(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:
3,4,6-Trichloro-2-(2-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)phenyl acetate

inchi:
InChI=1/C19H9Cl4F17O2/c1-5(41)42-11-7(10(23)8(21)3-9(11)22)2-6(20)4-12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h3,6H,2,4H2,1H3


name: Dimethyl(naphthylmethyl)tetradecylammonium chloride
cas: 38510-43-9
dtxsid: DTXSID50870073
formula: C27H44N
inchikey: WUWSFMWQEWIMKZ-UHFFFAOYSA-M
norman_susdat_id: NS00058092
pubchem_cid: 20836143
smiles: [Cl-].C=1C=CC2=C(C1)C=CC=C2C[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C27H44N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-28(2,3)24-26-21-18-20-25-19-15-16-22-27(25)26;/h15-16,18-22H,4-14,17,23-24H2,1-3H3;1H/q+1;/p-1


name: Cadmium(2+) (R)-12-hydroxyoctadecanoate
cas: 38517-19-0
formula: C18H36O3.1/2Cd
inchikey: GZAFZVLKVLWJJD-NCTGSHGJSA-L
norman_susdat_id: NS00088724
smiles: [Cd+2].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-].CCCCCC[C@@H](O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2


name: Sodium hydrogen N-(1-oxooctadecyl)-L-glutamate
cas: 38517-23-6
formula: C23H43NO5.Na
inchikey: QKHBMQWPOUUMQZ-BDQAORGHSA-L
norman_susdat_id: NS00088553
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C23H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+1/p-2


name: Sodium hydrogen N-(1-oxotetradecyl)-L-glutamate
cas: 38517-37-2
formula: C19H35NO5.Na
inchikey: ZNYIJXQYUNSKDX-NTISSMGPSA-L
norman_susdat_id: NS00088554
smiles: [Na+].CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C19H35NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-2


name: 3-Hydroxypregna-5,16-dien-20-one 3-acetate
cas: 38521-84-5
chemspiderid: 9079658
dtxsid: DTXSID50191851
formula: C23H32O3
inchikey: MZWRIOUCMXPLKV-KHLRSJGRSA-N
norman_susdat_id: NS00030408
pubchem_cid: 10904398
smiles: CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(=O)C)C3CC=C2C1
inchi:
InChI=1S/C23H32O3/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/h5,7,17-18,20-21H,6,8-13H2,1-4H3/t17-,18+,20-,21-,22-,23+/m1/s1


name: 3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione
cas: 38527-73-0
dtxsid: DTXSID10959393
formula: C13H15N2O4
inchikey: ZHPKYOHYUWTINN-UHFFFAOYSA-N
norman_susdat_id: NS00058095
pubchem_cid: 161968
smiles: O=C1NC(=O)C(C2=CC=C(C=C2)[N+](=O)[O-])(CC)CC1
inchi:
InChI=1/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(6-4-9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)


name: 17ß-hydroxy-2-(hydroxymethylene)-4,17-dimethylandrost-4-en-3-one
cas: 38539-99-0
dtxsid: DTXSID80959406
formula: C22H32O3
inchikey: TTXFXDNREBBNTM-UCLRZGAKSA-N
norman_susdat_id: NS00058097
pubchem_cid: 57349609
smiles: O=C1C(=C2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1=CO)C
inchi:
InChI=1/C22H32O3/c1-13-16-6-5-15-17(20(16,2)11-14(12-23)19(13)24)7-9-21(3)18(15)8-10-22(21,4)25/h12,15,17-18,23,25H,5-11H2,1-4H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodoundecane
cas: 38550-35-5
dtxsid: DTXSID30895249
formula: C11H6F17I
inchikey: IYNXASCSZLGJOC-UHFFFAOYSA-N
norman_susdat_id: NS00110012
smiles: CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H6F17I/c1-3(29)2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,2H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodotridecane
cas: 38550-36-6
dtxsid: DTXSID50895302
formula: C13H6F21I
inchikey: RMLPULXLJZBQLW-UHFFFAOYSA-N
norman_susdat_id: NS00110697
smiles: CC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H6F21I/c1-3(35)2-4(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)13(32,33)34/h3H,2H2,1H3


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-iodoundecan-1-ol
cas: 38550-45-7
dtxsid: DTXSID50895468
formula: C11H6F17IO
inchikey: WNOHMWCTVWXSJC-UHFFFAOYSA-N
norman_susdat_id: NS00110714
smiles: OCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H6F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,30H,1-2H2


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluoro-2-iodotridecan-1-ol
cas: 38550-46-8
dtxsid: DTXSID30895507
formula: C13H6F21IO
inchikey: QUGHSSKHWRLWSL-UHFFFAOYSA-N
norman_susdat_id: NS00110038
smiles: OCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H6F21IO/c14-4(15,1-3(35)2-36)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3,36H,1-2H2


name: 1-ethyl-2-heptadecyl-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 38550-83-3
dtxsid: DTXSID9068112
formula: C24H48N2O
inchikey: NKLDHHZWJCDYJJ-UHFFFAOYSA-N
norman_susdat_id: NS00056796
pubchem_cid: 21124842
smiles: O=S(=O)([O-])OCC.OCCN1C=C[NH+](CC)C1CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h20-21,24,27H,3-19,22-23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: N,N-dibutyl-N',N'-dihexyl-N'',N''-dioctyl-1,3,5-triazine-2,4,6-triamine
cas: 38551-15-4
dtxsid: DTXSID40191880
formula: C39H78N6
inchikey: URFCTWCGYJQOCS-UHFFFAOYSA-N
norman_susdat_id: NS00057218
pubchem_cid: 11970488
smiles: N=1C(=NC(=NC1N(CCCCCC)CCCCCC)N(CCCCCCCC)CCCCCCCC)N(CCCC)CCCC
inchi:
InChI=1/C39H78N6/c1-7-13-19-23-25-29-35-45(36-30-26-24-20-14-8-2)39-41-37(43(31-17-11-5)32-18-12-6)40-38(42-39)44(33-27-21-15-9-3)34-28-22-16-10-4/h7-36H2,1-6H3


name: 1,5-Bis(3,4-dimethoxyphenyl)penta-1,4-dien-3-one
cas: 38552-39-5
chemspiderid: 1155046
dtxsid: DTXSID00332757
formula: C21H22O5
inchikey: BUWQOPHMYRXMLL-UHFFFAOYSA-N
norman_susdat_id: NS00009670
pubchem_cid: 463904
smiles: COc1ccc(C=CC(=O)C=Cc2ccc(OC)c(OC)c2)cc1OC
inchi:
InChI=1S/C21H22O5/c1-23-18-11-7-15(13-20(18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)21(14-16)26-4/h5-14H,1-4H3


name: 8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene
cas: 3856-25-5
chemspiderid: 18581
dtxsid: DTXSID30873067
formula: C15H24
inchikey: VLXDPFLIRFYIME-MFEYBKIZSA-N
norman_susdat_id: NS00022131
pubchem_cid: 76319594
smiles: CC(C)C1CC[C@]2(C)C3CC=C(C)C2C13
inchi:
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1


name: Phenol, 4-[[4-[(4-nitrophenyl)azo]phenyl]azo]-
cas: 38565-48-9
chemspiderid: 4590293
dtxsid: DTXSID4068113
formula: C18H13N5O3
inchikey: CXWPPJHWQZBMAO-UHFFFAOYSA-N
norman_susdat_id: NS00030416
pubchem_cid: NA
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(NN=C2C=CC(=O)C=C2)cc1
inchi:
InChI=1S/C18H13N5O3/c24-18-11-7-16(8-12-18)22-20-14-3-1-13(2-4-14)19-21-15-5-9-17(10-6-15)23(25)26/h1-12,20H/b21-19+


name: 3-(Perfluorooctyl)-1,2-propenoxide
cas: 38565-53-6
chemspiderid: 497333
dtxsid: DTXSID50880415
formula: C11H5F17O1
inchikey: HMXSIEIEXLGIET-UHFFFAOYSA-N
norman_susdat_id: NS00011209
pubchem_cid: 571982
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C1CO1
inchi:
InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2


name: ((Perfluorodecyl)methyl)oxirane
cas: 38565-54-7
chemspiderid: 2056401
dtxsid: DTXSID10880416
formula: C13H5F21O1
inchikey: KVLHRMQNRDJRKW-UHFFFAOYSA-N
norman_susdat_id: NS00019050
pubchem_cid: 2776077
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)C(F)(F)C(F)(F)CC1CO1
inchi:
InChI=1S/C13H5F21O/c14-4(15,1-3-2-35-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3H,1-2H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-12-iodododecane
cas: 38565-62-7
dtxsid: DTXSID00573007
formula: C12H8F17I
inchikey: COCSOQXWZIWLBV-UHFFFAOYSA-N
norman_susdat_id: NS00108821
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)CCCCI
inchi:
InChI=1S/C12H8F17I/c13-5(14,3-1-2-4-30)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-4H2


name: Aminotadalafil
cas: 385769-84-6
chemspiderid: 8353972
dtxsid: DTXSID50191896
formula: C21H18N4O4
inchikey: VUKJGAVIWMPOOJ-FOIQADDNSA-N
norman_susdat_id: NS00008835
pubchem_cid: 10178467
smiles: NN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
inchi:
InChI=1S/C21H18N4O4/c22-24-9-18(26)25-15(21(24)27)8-13-12-3-1-2-4-14(12)23-19(13)20(25)11-5-6-16-17(7-11)29-10-28-16/h1-7,15,20,23H,8-10,22H2/t15-,20-/m1/s1


name: 2-diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride
cas: 3858-89-7
chebiid: CHEBI:3637
formula: C13H19ClN2O2.ClH
inchikey: SZKQYDBPUCZLRX-UHFFFAOYSA-N
norman_susdat_id: NS00081903
smiles: Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
inchi:
InChI=1/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H


name: Naproxen Etemesil
cas: 385800-16-8
dtxsid: DTXSID60191903
formula: C17H20O5S
inchikey: JGBUBSOKFSVXKS-LBPRGKRZSA-N
norman_susdat_id: NS00072039
pubchem_cid: 25170420
smiles: COc1ccc2cc([C@H](C)C(=O)OCCS(C)(=O)=O)ccc2c1
inchi:
InChI=1S/C17H20O5S/c1-12(17(18)22-8-9-23(3,19)20)13-4-5-15-11-16(21-2)7-6-14(15)10-13/h4-7,10-12H,8-9H2,1-3H3/t12-/m0/s1


name: 2-(6-methoxybenzofuran-2-yl)-1-benzyl-3-methyl-1H-benzimidazolium methyl sulphate
cas: 38582-02-4
dtxsid: DTXSID40959447
formula: C24H22N2O2
inchikey: CHCUGGWQKHTVHE-UHFFFAOYSA-N
norman_susdat_id: NS00057220
pubchem_cid: 21124844
smiles: O=S(=O)([O-])OC.O1C=2C=C(OC)C=CC2C=C1C3N(C=4C=CC=CC4[NH+]3CC=5C=CC=CC5)C
inchi:
InChI=1/C24H22N2O2.CH4O4S/c1-25-20-10-6-7-11-21(20)26(16-17-8-4-3-5-9-17)24(25)23-14-18-12-13-19(27-2)15-22(18)28-23;1-5-6(2,3)4/h3-15,24H,16H2,1-2H3;1H3,(H,2,3,4)


name: (2-oxocyclopentane-1,3-diylidene)tetrakismethylene tetraacrylate
cas: 38582-34-2
formula: C21H24O9
inchikey: ZYPHDVCHZLZXRM-UHFFFAOYSA-N
norman_susdat_id: NS00058164
pubchem_cid: 54572953
smiles: O=C(OCC1(C(=O)C(COC(=O)C=C)(COC(=O)C=C)CC1)COC(=O)C=C)C=C
inchi:
InChI=1/C21H24O9/c1-5-15(22)27-11-20(12-28-16(23)6-2)9-10-21(19(20)26,13-29-17(24)7-3)14-30-18(25)8-4/h5-8H,1-4,9-14H2


name: 2-[(3-ethylthiazolidinylidene)methyl]-3-methyl-6-nitrobenzothiazolium iodide
cas: 38586-42-4
dtxsid: DTXSID90959452
formula: C14H17N3O2S2
inchikey: FKHXPKFYKOQQJX-UHFFFAOYSA-M
norman_susdat_id: NS00057221
pubchem_cid: NA
smiles: [I-].O=[N+]([O-])C=1C=CC2=C(SC(C=C3SCCN3CC)=[N+]2C)C1
inchi:
InChI=1/C14H16N3O2S2.HI/c1-3-16-6-7-20-14(16)9-13-15(2)11-5-4-10(17(18)19)8-12(11)21-13;/h4-5,8-9H,3,6-7H2,1-2H3;1H/q+1;/p-1


name: Sodium 4-(4-((4-(hexyloxy)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
cas: 38586-43-5
formula: C22H26N4O5S
inchikey: IYGHTASGZVDGOP-UHFFFAOYSA-M
norman_susdat_id: NS00056842
pubchem_cid: 3015998
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=C(OCCCCCC)C=C2)C3=CC=C(C=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C22H26N4O5S.Na/c1-3-4-5-6-15-31-19-11-7-17(8-12-19)23-24-21-16(2)25-26(22(21)27)18-9-13-20(14-10-18)32(28,29)30;/h7-14,21H,3-6,15H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: (R)-N-(1-methyl-2-phenylethyl)adenosine
cas: 38594-96-6
formula: C19H23N5O4
inchikey: RIRGCFBBHQEQQH-UVCRECLJSA-N
norman_susdat_id: NS00058165
pubchem_cid: 114854
smiles: OCC1OC(N2C=NC=3C(=NC=NC32)NC(C)CC=4C=CC=CC4)C(O)C1O
inchi:
InChI=1/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)


name: Bis(cyclohexanebutyrato-O)hydroxyaluminium
cas: 38598-34-4
formula: C20H35AlO5
inchikey: JUGYFOMQOWSWDP-UHFFFAOYSA-K
norman_susdat_id: NS00088796
smiles: O[Al](OC(=O)CCCC1CCCCC1)OC(=O)CCCC2CCCCC2
inchi:
InChI=1/2C10H18O2.Al.H2O/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;/h2*9H,1-8H2,(H,11,12);;1H2/q;;+3;/p-3/rC20H35AlO5/c22-19(15-7-13-17-9-3-1-4-10-17)25-21(24)26-20(23)16-8-14-18-11-5-2-6-12-18/h17-18,24H,1-16H2


name: Iodophthalein
cas: 386-17-4
chemspiderid: 67741
dtxsid: DTXSID7048291
formula: C20H10I4O4
inchikey: KVFPRLVRGPLMDH-UHFFFAOYSA-N
norman_susdat_id: NS00030429
pubchem_cid: 75195
smiles: [O-]C(=O)c1c(cccc1)C(=C1C=C(I)C(=O)C(=C1)I)c1cc(I)c([O-])c(I)c1
inchi:
InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,25H,(H,27,28)


name: N,N-Dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 386-84-5
dtxsid: DTXSID50896132
formula: C16H22F7NO
inchikey: WMHGSOYODMNMSD-UHFFFAOYSA-N
norman_susdat_id: NS00110763
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)N(C1CCCCC1)C1CCCCC1
inchi:
InChI=1S/C16H22F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2


name: C.I. Disperse Blue 26
cas: 3860-63-7
chemspiderid: 18585
dtxsid: DTXSID2063212
formula: C16H14N2O4
inchikey: OKZNPGWYVNZKKZ-UHFFFAOYSA-N
norman_susdat_id: NS00020809
pubchem_cid: 19729
smiles: CNc1ccc(O)c2c1C(=O)c1c(C2=O)c(NC)ccc1O
inchi:
InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)14-10(20)6-4-8(18-2)12(14)16(13)22/h3-6,17-20H,1-2H3


name: Acetyldihydrocodeine
cas: 3861-72-1
chebiid: CHEBI:135453
chemspiderid: 4576412
dtxsid: DTXSID30191930
formula: C20H25N1O4
inchikey: LGGDXXJAGWBUSL-BKRJIHRRSA-N
norman_susdat_id: NS00030428
pubchem_cid: 5463874
smiles: COc1c2O[C@H]3[C@H](CC[C@H]4[C@H]5Cc(cc1)c2[C@@]34CCN5C)OC(=O)C
inchi:
InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1


name: Anazolene sodium
cas: 3861-73-2
chemspiderid: 18587
dtxsid: DTXSID9046578
formula: C26H19N3O10S3
inchikey: ADGGJQPKBDIZMT-UHFFFAOYSA-K
norman_susdat_id: NS00019980
pubchem_cid: NA
inchi:
InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b29-28-

smiles:
[Na+].[Na+].[Na+].Oc1c2c(cc(c1)S(=O)(=O)[O-])cc(cc2N=Nc1c2cccc(c2c(Nc2ccccc2)cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Clonitazene [INN:BAN:DCF]
cas: 3861-76-5
dtxsid: DTXSID90191931
formula: C20H23ClN4O2
inchikey: GPZLDQAEBHTMPG-UHFFFAOYSA-N
norman_susdat_id: NS00067969
smiles: CCN(CC)CCN1C(CC2=CC=C(Cl)C=C2)=NC2=C1C=CC(=C2)[N+]([O-])=O
inchi:
InChI=1S/C20H23ClN4O2/c1-3-23(4-2)11-12-24-19-10-9-17(25(26)27)14-18(19)22-20(24)13-15-5-7-16(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3


name: Octanamide, N-[4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-2-methoxyphenyl]-
cas: 38615-38-2
chemspiderid: 148726
dtxsid: DTXSID4068119
formula: C38H55N3O2
inchikey: LJQRYPCDQQFASR-UHFFFAOYSA-N
norman_susdat_id: NS00030425
pubchem_cid: 170082
smiles: CCCCCCCC(=O)Nc1ccc(cc1OC)C(c1c(C)cc(cc1)N(CC)CC)c1c(C)cc(cc1)N(CC)CC
inchi:
InChI=1S/C38H55N3O2/c1-9-14-15-16-17-18-37(42)39-35-24-19-30(27-36(35)43-8)38(33-22-20-31(25-28(33)6)40(10-2)11-3)34-23-21-32(26-29(34)7)41(12-4)13-5/h19-27,38H,9-18H2,1-8H3,(H,39,42)


name: 2-[[4-(diethylamino)phenyl]methyl]-3-hydroxyindan-1-one
cas: 38615-39-3
dtxsid: DTXSID20885730
formula: C20H23NO2
inchikey: OXKFXFCTILDPGA-UHFFFAOYSA-N
norman_susdat_id: NS00057319
pubchem_cid: 170083
smiles: O=C1C=2C=CC=CC2C(O)C1CC3=CC=C(C=C3)N(CC)CC
inchi:
InChI=1/C20H23NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-12,18-19,22H,3-4,13H2,1-2H3


name: 2-(2-Quinolinyl)-1H-indene--1,3(2H)-dione-6'-sulfonic acid
cas: 38615-45-1
chemspiderid: 2287152
dtxsid: DTXSID30191935
formula: C18H11N1O5S1
inchikey: GOGLOAZETACXSR-UHFFFAOYSA-N
norman_susdat_id: NS00030427
pubchem_cid: 3020188
smiles: OS(=O)(=O)c1cc2c(cc1)nc(cc2)C1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C18H11NO5S/c20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15/h1-9,16H,(H,22,23,24)


name: Oleic acid, compound with 1,1'-iminodi(propan-2-ol) (1:1)
cas: 38618-12-1
formula: C18H34O2.C6H15NO2
inchikey: QZNJFNVUPYDXHR-KVVVOXFISA-N
norman_susdat_id: NS00088805
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CC(O)CNCC(C)O
inchi:
InChI=1/C18H34O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(8)3-7-4-6(2)9/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-9H,3-4H2,1-2H3


name: Tris(o-ethylphenyl) phosphate
cas: 3862-08-6
dtxsid: DTXSID50191937
formula: C24H27O4P
inchikey: DTOOHWOPSUKNJL-UHFFFAOYSA-N
norman_susdat_id: NS00046191
pubchem_cid: 77467
smiles: O=P(OC=1C=CC=CC1CC)(OC=2C=CC=CC2CC)OC=3C=CC=CC3CC
inchi:
InChI=1/C24H27O4P/c1-4-19-13-7-10-16-22(19)26-29(25,27-23-17-11-8-14-20(23)5-2)28-24-18-12-9-15-21(24)6-3/h7-18H,4-6H2,1-3H3


name: 1-butyl (sulphooxy)-9-octadecenoate
cas: 38621-44-2
formula: C22H42O6S
inchikey: QRPPTXRAVGJJPW-UHFFFAOYSA-N
norman_susdat_id: NS00056887
pubchem_cid: 71437477
smiles: O=C(OCCCC)C(OS(=O)(=O)O)CCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H42O6S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(28-29(24,25)26)22(23)27-20-6-4-2/h12-13,21H,3-11,14-20H2,1-2H3,(H,24,25,26)


name: Hydrocortisone 21-phosphate
cas: 3863-59-0
chebiid: CHEBI:68634
chemspiderid: 390143
dtxsid: DTXSID7048160
formula: C21H31O8P1
inchikey: BGSOJVFOEQLVMH-VWUMJDOOSA-N
norman_susdat_id: NS00030431
pubchem_cid: 441407
smiles: CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COP(=O)(O)O
inchi:
InChI=1S/C21H31O8P/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/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15+,16-,18+,19-,20-,21+/m1/s1


name: Methanesulfonic acid, 1,1'-(1,6-hexanediyldiimino)bis[1-oxo-, sodium salt (1:2)
cas: 38632-47-2
chemspiderid: 29271902
formula: C8H16N2O8S2
inchikey: VOHKSYRUFCHLGE-UHFFFAOYSA-L
norman_susdat_id: NS00019811
pubchem_cid: 101217852
smiles: C(CCCNC(=O)S(=O)(=O)[O-])CCNC(=O)S(=O)(=O)[O-].[Na+].[Na+]
inchi:
InChI=1S/C8H16N2O8S2/c11-7(19(13,14)15)9-5-3-1-2-4-6-10-8(12)20(16,17)18/h1-6H2,(H,9,11)(H,10,12)(H,13,14,15)(H,16,17,18)


name: [(2,4-dichlorobenzylidene)(2-nitro-4-trifluorobenzyl)]acetic acid
cas: 38635-54-0
dtxsid: DTXSID30959476
formula: C16H8Cl2F3NO4
inchikey: SBYBKHAGFBTYMA-UHFFFAOYSA-N
norman_susdat_id: NS00057289
pubchem_cid: 590357
smiles: O=C(O)C(=CC1=CC=C(Cl)C=C1Cl)C2=CC=C(C=C2N(=O)=O)C(F)(F)F
inchi:
InChI=1/C16H8Cl2F3NO4/c17-10-3-1-8(13(18)7-10)5-12(15(23)24)11-4-2-9(16(19,20)21)6-14(11)22(25)26/h1-7H,(H,23,24)


name: 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid
cas: 38635-85-7
dtxsid: DTXSID40191946
formula: C16H7Cl2F3O2
inchikey: FSWIERNYXQOBNZ-UHFFFAOYSA-N
norman_susdat_id: NS00056889
pubchem_cid: 19704618
smiles: O=C(O)C1=CC=2C(Cl)=CC(Cl)=CC2C3=CC(=CC=C13)C(F)(F)F
inchi:
InChI=1/C16H7Cl2F3O2/c17-8-4-11-10-3-7(16(19,20)21)1-2-9(10)13(15(22)23)6-12(11)14(18)5-8/h1-6H,(H,22,23)


name: Diphenyl nonylphenyl phosphate
cas: 38638-05-0
dtxsid: DTXSID10959479
formula: C27H33O4P
inchikey: PYLCWALYHRYEST-UHFFFAOYSA-N
norman_susdat_id: NS00056890
pubchem_cid: 14029264
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OC=3C=CC=CC3CCCCCCCCC
inchi:
InChI=1/C27H33O4P/c1-2-3-4-5-6-7-10-17-24-18-15-16-23-27(24)31-32(28,29-25-19-11-8-12-20-25)30-26-21-13-9-14-22-26/h8-9,11-16,18-23H,2-7,10,17H2,1H3


name: Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylethyl)-
cas: 3864-99-1
chebiid: CHEBI:169475
chemspiderid: 69879
dtxsid: DTXSID4038893
formula: C20H24Cl1N3O1
inchikey: UWSMKYBKUPAEJQ-UHFFFAOYSA-N
norman_susdat_id: NS00002300
pubchem_cid: 77470
smiles: CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)-n1nc2ccc(Cl)cc2n1
inchi:
InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3


name: Dodecylnaphthalene
cas: 38641-16-6
chemspiderid: 142259
dtxsid: DTXSID3068122
formula: C22H32
inchikey: UVMGANPLBFFQIO-UHFFFAOYSA-N
norman_susdat_id: NS00030433
pubchem_cid: 161973
smiles: CCCCCCCCCCCCc1c2ccccc2ccc1
inchi:
InChI=1S/C22H32/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-14-18-21-16-12-13-19-22(20)21/h12-14,16-19H,2-11,15H2,1H3


name: Benzoylpaeoniflorin
cas: 38642-49-8
chebiid: CHEBI:69583
chemspiderid: 21631106
formula: C30H32O12
inchikey: LATYEZNGPQKAIK-HRCYFWENSA-N
norman_susdat_id: NS00093951
pubchem_cid: 10260965
smiles:
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O


name: (±)-(1a,2ß,5a)-2-(isopropyl)-5-methylcyclohexyl benzoate
cas: 38649-18-2
formula: C17H24O2
inchikey: TTYVYRHNIVBWCB-UHFFFAOYSA-N
norman_susdat_id: NS00089764
smiles: CC(C)C1CCC(C)CC1OC(=O)c2ccccc2
inchi:
InChI=1/C17H24O2/c1-12(2)15-10-9-13(3)11-16(15)19-17(18)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3


name: Talinolol
cas: 38649-73-9
chebiid: CHEBI:135533
chemspiderid: 62014
dtxsid: DTXSID6046426
formula: C20H33N3O3
inchikey: MXFWWQICDIZSOA-UHFFFAOYSA-N
norman_susdat_id: NS00001539
pubchem_cid: 68770
smiles: CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
inchi:
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)


name: Dimethylbis(oleoyloxy)stannane
cas: 3865-34-7
dtxsid: DTXSID60893536
formula: C38H72O4Sn
inchikey: PGQPMLCDSAVZNJ-BGSQTJHASA-L
norman_susdat_id: NS00046218
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C18H34O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1H3;/q;;;;+2/p-2/rC38H72O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)41-43(3,4)42-38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22H,5-18,23-36H2,1-4H3


name: Dimethylbis(palmitoyloxy)stannane
cas: 3865-35-8
dtxsid: DTXSID40191961
formula: C34H68O4Sn
inchikey: HLSQYZYSQQBWSP-UHFFFAOYSA-L
norman_susdat_id: NS00046764
pubchem_cid: 16683950
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.2CH3.Sn/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);2*1H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(35)37-39(3,4)38-34(36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3


name: 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium tetrachlorozincate (2:1)
cas: 38656-51-8
formula: C17H19N2O2S.1/2Cl4Zn
inchikey: KCIBXAZYWVZCHR-UHFFFAOYSA-J
norman_susdat_id: NS00090267
smiles: CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.CCOc3cc([N+]#N)c(OCC)cc3Sc4ccc(C)cc4.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C17H19N2O2S.4ClH.Zn/c2*1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H19N2O2S.Cl4Zn/c2*1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q2*+1;-2


name: 2,5-diethoxy-4-[(4-methylbenzoyl)amino]benzenediazonium tetrachlorozincate (2:1)
cas: 38656-58-5
dtxsid: DTXSID8068123
formula: C18H20N3O3
inchikey: YOLXXRRKERAWPO-UHFFFAOYSA-L
norman_susdat_id: NS00060358
pubchem_cid: 170089
inchi:
InChI=1/2C18H19N3O3.4ClH.Zn/c2*1-4-23-16-11-15(21-19)17(24-5-2)10-14(16)20-18(22)13-8-6-12(3)7-9-13;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H19N3O3.Cl4Zn/c2*1-4-23-16-11-15(21-19)17(24-5-2)10-14(16)20-18(22)13-8-6-12(3)7-9-13;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q;;-2/p+2

smiles:
N#[N+]C=1C=C(OCC)C(=CC1OCC)NC(=O)C2=CC=C(C=C2)C.N#[N+]C=1C=C(OCC)C(=CC1OCC)NC(=O)C2=CC=C(C=C2)C.Cl[Zn-2](Cl)(Cl)Cl


name: Tris(D-gluconato-O1,O2)iron
cas: 38658-53-6
chebiid: CHEBI:34762
formula: C18H33FeO21
inchi: InChI=1/3C6H12O7.Fe/c3*7-1-2(8)3(9)4(10)5(11)6(12)13;/h3*2-5,7-11H,1H2,(H,12,13);/q;;;+3/p-3
inchikey: CZNVSLGYWMSMKE-OPDGVEILSA-K
norman_susdat_id: NS00089752
smiles:
O[C@H]([C@@H](O)C(=O)O[Fe](OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)CO


name: 1H-Pyrazol-3-amine, 4-[[4-(ethylsulfonyl)-2-nitrophenyl]azo]-5-methyl-1-phenyl-
cas: 38658-94-5
chemspiderid: 140833
dtxsid: DTXSID3068124
formula: C18H18N6O4S1
inchikey: AOHYRLBEHPBUOC-UHFFFAOYSA-N
norman_susdat_id: NS00022133
pubchem_cid: 162319
smiles: CCS(=O)(=O)c1cc(c(cc1)N=Nc1c(C)n(nc1N)c1ccccc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H18N6O4S/c1-3-29(27,28)14-9-10-15(16(11-14)24(25)26)20-21-17-12(2)23(22-18(17)19)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H2,19,22)/b21-20+


name: Spiro[1H-isoindole-1,9'-[9H]xanthen]-3(2H)-one, 3',6'-bis(diethylamino)-2-phenyl-
cas: 38660-35-4
chemspiderid: 87084
dtxsid: DTXSID8068125
formula: C34H35N3O2
inchikey: IMYNRKANUSOMGU-UHFFFAOYSA-N
norman_susdat_id: NS00030436
pubchem_cid: 96464
smiles: CCN(CC)c1cc2c(cc1)C1(N(C(=O)c3c1cccc3)c1ccccc1)c1ccc(cc1O2)N(CC)CC
inchi:
InChI=1S/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3


name: Potassium (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 38660-45-6
formula: C18H30O2.K
inchikey: FKEDIMSDTKPZNV-IFNWOZJISA-M
norman_susdat_id: NS00090268
smiles: [K+].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: Magnesium bis[3-(octadecylthio)propionate]
cas: 38663-58-0
formula: C21H42O2S.1/2Mg
inchikey: PCEQZKFBZOBNQO-UHFFFAOYSA-L
norman_susdat_id: NS00089753
smiles: [Mg+2].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-]
inchi:
InChI=1/2C21H42O2S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23;/h2*2-20H2,1H3,(H,22,23);/q;;+2/p-2


cas: 38665-01-9
chemspiderid: 29273171
dtxsid: DTXSID80741565
formula: C28H32O15
inchikey: VCCNKWWXYVWTLT-CYZBKYQRSA-N
norman_susdat_id: NS00015835
pubchem_cid: 69964214
smiles: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
name:
5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside

inchi:
InChI=1S/C28H32O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-8,10,19,21-31,33-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1


name: Flunixin
cas: 38677-85-9
chebiid: CHEBI:76138
chemspiderid: 34911
dtxsid: DTXSID4048565
formula: C14H11F3N2O2
inchikey: NOOCSNJCXJYGPE-UHFFFAOYSA-N
norman_susdat_id: NS00008747
pubchem_cid: 38081
smiles: Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F
inchi:
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)


name: Nortilidine
cas: 38677-94-0
chebiid: CHEBI:77841
chemspiderid: 142535
dtxsid: DTXSID10191973
formula: C16H21N1O2
inchikey: PDJZPNKVLDWEKI-GOEBONIOSA-N
norman_susdat_id: NS00006022
pubchem_cid: 162321
smiles: CCOC(=O)[C@]1(CCC=C[C@@H]1NC)c1ccccc1
inchi:
InChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3/t14-,16+/m0/s1


name: 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 38680-83-0
chemspiderid: 3622086
dtxsid: DTXSID50191977
formula: C23H28O6
inchikey: DBNHODAAFAHQNY-UHFFFAOYSA-N
norman_susdat_id: NS00005323
pubchem_cid: 4421742
smiles: CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C33OC3CC12C
inchi:
InChI=1S/C23H28O6/c1-13(24)28-12-18(26)22(27)9-7-16-17-5-4-14-10-15(25)6-8-20(14,2)23(17)19(29-23)11-21(16,22)3/h6,8,10,16-17,19,27H,4-5,7,9,11-12H2,1-3H3


name: 2,5-diethoxy-4-[(p-tolyl)thio]benzenediazonium hexafluorophosphate
cas: 38686-70-3
formula: C17H19N2O2S.F6P
inchikey: LGTSHOIRCZPMIY-UHFFFAOYSA-N
norman_susdat_id: NS00089786
smiles: CCOc1cc([N+]#N)c(OCC)cc1Sc2ccc(C)cc2.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C17H19N2O2S.F6P/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;1-7(2,3,4,5)6/h6-11H,4-5H2,1-3H3;/q+1;-1


name: Benzoic acid, 4-heptyl-, 4-cyanophenyl ester
cas: 38690-76-5
chemspiderid: 148738
dtxsid: DTXSID8068129
formula: C21H23N1O2
inchikey: ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
norman_susdat_id: NS00030440
pubchem_cid: 170097
smiles: CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
inchi:
InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3


name: Benzonitrile, 4-[[(4-hexylphenyl)methylene]amino]-
cas: 38690-78-7
chemspiderid: 148740
dtxsid: DTXSID2068131
formula: C20H22N2
inchikey: MOXOWUJNSDTVNT-UHFFFAOYSA-N
norman_susdat_id: NS00030442
pubchem_cid: 170099
smiles: CCCCCCc1ccc(C=Nc2ccc(cc2)C#N)cc1
inchi:
InChI=1S/C20H22N2/c1-2-3-4-5-6-17-7-9-19(10-8-17)16-22-20-13-11-18(15-21)12-14-20/h7-14,16H,2-6H2,1H3/b22-16+


name: Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-
cas: 38690-79-8
chemspiderid: 148741
dtxsid: DTXSID7068132
formula: C17H16N2
inchikey: WNPUCDQWHSMXIN-UHFFFAOYSA-N
norman_susdat_id: NS00030443
pubchem_cid: 170100
smiles: CCCc1ccc(C=Nc2ccc(cc2)C#N)cc1
inchi:
InChI=1S/C17H16N2/c1-2-3-14-4-6-16(7-5-14)13-19-17-10-8-15(12-18)9-11-17/h4-11,13H,2-3H2,1H3/b19-13+


name: 6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregn-4-ene-3,20-dione
cas: 387-59-7
dtxsid: DTXSID40959523
formula: C22H31FO5
inchikey: JXOONFORBFAKIN-AFYJWTTESA-N
norman_susdat_id: NS00041776
pubchem_cid: 23616837
smiles: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3


name: 17α-Hydroxypregnenolone
cas: 387-79-1
chebiid: CHEBI:28750
chemspiderid: 17215939
formula: C21H32O3
inchikey: JERGUCIJOXJXHF-TVWVXWENSA-N
norman_susdat_id: NS00014777
pubchem_cid: 91451
smiles: O=C(C)C2(O)C1(CCC3C(C1CC2)C/C=C4C3(CCC(O)C4)C)C
inchi:
InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1


name: 9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate
cas: 3870-07-3
dtxsid: DTXSID20959526
formula: C26H33FO7
inchikey: VOBDXTSTTMAKHK-UHFFFAOYSA-N
norman_susdat_id: NS00046765
pubchem_cid: 18769587
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)C)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C26H33FO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3


name: N-oleoyl-DL-methionine, monoester with glycerol
cas: 38703-31-0
dtxsid: DTXSID80959527
formula: C26H49NO5S
inchikey: MIPMHBSDMSPZPK-UHFFFAOYSA-N
norman_susdat_id: NS00060422
pubchem_cid: NA
smiles: O=C(NC(C(=O)OCC(O)CO)CCSC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30)27-24(19-20-33-2)26(31)32-22-23(29)21-28/h10-11,23-24,28-29H,3-9,12-22H2,1-2H3,(H,27,30)


name: Tris(4-nitrophenyl) phosphate
cas: 3871-20-3
chemspiderid: 69882
dtxsid: DTXSID90192004
formula: C18H12N3O10P1
inchikey: RZSPPBDBWOJRII-UHFFFAOYSA-N
norman_susdat_id: NS00030447
pubchem_cid: 77473
smiles: [O-][N+](=O)c1ccc(OP(=O)(Oc2ccc(cc2)[N+](=O)[O-])Oc2ccc(cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C18H12N3O10P/c22-19(23)13-1-7-16(8-2-13)29-32(28,30-17-9-3-14(4-10-17)20(24)25)31-18-11-5-15(6-12-18)21(26)27/h1-12H


name: Tris(4-chlorophenyl) phosphate
cas: 3871-31-6
chemspiderid: 69883
dtxsid: DTXSID10192006
formula: C18H12Cl3O4P1
inchikey: DFQHFXCKNSCDFW-UHFFFAOYSA-N
norman_susdat_id: NS00030448
pubchem_cid: 77474
smiles: Clc1ccc(OP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C18H12Cl3O4P/c19-13-1-7-16(8-2-13)23-26(22,24-17-9-3-14(20)4-10-17)25-18-11-5-15(21)6-12-18/h1-12H


name: Sodium 2-(N-ethylperfluorooctanesulfonamido)acetate
cas: 3871-50-9
chemspiderid: NA
dtxsid: DTXSID20880200
formula: C10H4F17N1O3S1
inchikey: SICDWGJXOOBUCI-JGCGQSQUSA-N
norman_susdat_id: NS00011440
pubchem_cid: NA
inchi:
InChI=1S/C12H8F17NO4S.C10H4F17NO3S.C3H8.CH2O.2/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)32(31)28-1-2(29)30;1-3-2;1-2;;/h2-3H2,1H3,(H,31,32);28H,1H2,(H,29,30);3H2,1-2H3;1H2;;/q;;;;2*+1/p-2

smiles:
C=O.C(N([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)CC)C([O-])=O.C(N[S](=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)C([O-])=O.[K+].[K+].C(C)C


name: 1-[3-(p-fluorobenzoyl)propyl]-4-hydroxy-4-(p-tolyl)piperidinium chloride
cas: 3871-82-7
chebiid: CHEBI:31865
formula: C22H26FNO2.ClH
inchikey: RJTOSFZZYBCYTM-UHFFFAOYSA-N
norman_susdat_id: NS00081881
smiles: [Cl-].Cc1ccc(cc1)C2(O)CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2
inchi:
InChI=1/C22H26FNO2.ClH/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18;/h4-11,26H,2-3,12-16H2,1H3;1H


name: PFHS-K
cas: 3871-99-6
dtxsid: DTXSID3037709
formula: C6F13KO3S
inchikey: RSCGQEBKFSGWJT-UHFFFAOYSA-M
norman_susdat_id: NS00096376
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1


name: Seneciphylline N-oxide
cas: 38710-26-8
chebiid: CHEBI:136427
chemspiderid: 29304933
dtxsid: DTXSID301016605
formula: C18H23NO6
inchikey: COHUFMBRBUPZPA-HPHFTHPTSA-N
norman_susdat_id: NS00066997
pubchem_cid: 6442619
smiles: C/C=C/1CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O
inchi:
InChI=1S/C18H23NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-,19?/m1/s1


cas: 38719-97-0
formula: C33H74N3O4
norman_susdat_id: NS00101767
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with N-[2-[bis(2-hydroxyethyl)methylammonio]ethyl]-N,N'-bis(hydroxyethyl)-N,N'-dimethyl-N'-octadecyl-1,2-ethanediaminium tris(methyl sulfate) (4:1) (salt)


name: Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione
cas: 38720-66-0
dtxsid: DTXSID10959535
formula: C20H10Cl2N2O2
inchikey: JMEWGCRUPXQFQL-UHFFFAOYSA-N
norman_susdat_id: NS00059401
pubchem_cid: 25087073
smiles: O=C1C=2C=CC=CC2NC3=CC=4C(=O)C5=C(Cl)C(Cl)=CC=C5NC4C=C13
inchi:
InChI=1/C20H10Cl2N2O2/c21-12-5-6-14-17(18(12)22)20(26)11-8-15-10(7-16(11)24-14)19(25)9-3-1-2-4-13(9)23-15/h1-8H,(H,23,25)(H,24,26)


name: Diethatyl-ethyl
cas: 38727-55-8
chebiid: CHEBI:82178
chemspiderid: 34920
dtxsid: DTXSID9032539
formula: C16H22Cl1N1O3
inchikey: WFKSADNZWSKCRZ-UHFFFAOYSA-N
norman_susdat_id: NS00022134
pubchem_cid: 38090
smiles: CCOC(=O)CN(C(=O)CCl)c1c(CC)cccc1CC
inchi:
InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3


name: L-glutamic acid, compound with 2,2',2''-nitrilotrisethanol (1:1)
cas: 38732-22-8
formula: C6H15NO3.C5H9NO4
inchikey: TUBPSFQENHCYBW-HVDRVSQOSA-N
norman_susdat_id: NS00089553
smiles: N[C@@H](CCC(=O)O)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C6H15NO3.C5H9NO4/c8-4-1-7(2-5-9)3-6-10;6-3(5(9)10)1-2-4(7)8/h8-10H,1-6H2;3H,1-2,6H2,(H,7,8)(H,9,10)


name: 2-(4-Methoxyphenyl)-5-(1-naphthyl)-1,3,4-oxadiazole
cas: 38736-16-2
chemspiderid: 87444
dtxsid: DTXSID50192025
formula: C19H14N2O2
inchikey: COEYQIOPXLXUKH-UHFFFAOYSA-N
norman_susdat_id: NS00030452
pubchem_cid: 96847
smiles: COc1ccc(cc1)c1nnc(o1)c1cccc2ccccc12
inchi:
InChI=1S/C19H14N2O2/c1-22-15-11-9-14(10-12-15)18-20-21-19(23-18)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3


name: 2-(4-Methoxyphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole
cas: 38736-17-3
chemspiderid: 87445
dtxsid: DTXSID10192026
formula: C19H14N2O2
inchikey: CZBJYQRHTALCKA-UHFFFAOYSA-N
norman_susdat_id: NS00030453
pubchem_cid: 96848
smiles: COc1ccc(cc1)c1nnc(o1)c1ccc2ccccc2c1
inchi:
InChI=1S/C19H14N2O2/c1-22-17-10-8-14(9-11-17)18-20-21-19(23-18)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3


name: 3-Hydroxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl hexopyranosiduronic acid
cas: 387372-17-0
dtxsid: DTXSID20693973
formula: C20H20O9
inchikey: QWSAYEBSTMCFKY-UHFFFAOYSA-N
norman_susdat_id: NS00076997
smiles: OC1C(OC2=CC(C=CC3=CC=C(O)C=C3)=CC(O)=C2)OC(C(O)C1O)C(O)=O
inchi:
InChI=1S/C20H20O9/c21-12-5-3-10(4-6-12)1-2-11-7-13(22)9-14(8-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)


name: 1-Naphthalenesulfonamide, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-
cas: 3874-84-8
chemspiderid: 69888
dtxsid: DTXSID7063215
formula: C16H12Cl1N5O4S1
inchikey: QWMXREGTJHCYOA-UHFFFAOYSA-N
norman_susdat_id: NS00030455
pubchem_cid: 77479
smiles: Nc1ccc2c(cccc2S(=O)(=O)N)c1N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H12ClN5O4S/c17-12-8-9(22(23)24)4-7-14(12)20-21-16-11-2-1-3-15(27(19,25)26)10(11)5-6-13(16)18/h1-8H,18H2,(H2,19,25,26)


name: Triptolide
cas: 38748-32-2
chebiid: CHEBI:9747
chemspiderid: 97099
dtxsid: DTXSID5041144
formula: C20H24O6
inchikey: DFBIRQPKNDILPW-CIVMWXNOSA-N
norman_susdat_id: NS00018025
pubchem_cid: 107985
smiles: CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C
inchi:
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1


name: Disodium [2,2'-bi-1H-indole]-3,3'-diyl disulphate
cas: 3875-70-5
dtxsid: DTXSID2063216
formula: C16H10N2O8S2
inchikey: OHSAXOLUPXSYKL-UHFFFAOYSA-L
norman_susdat_id: NS00046177
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])OC=1C(N=C2C=CC=CC21)=C3N=C4C=CC=CC4=C3OS(=O)(=O)[O-]
inchi:
InChI=1/C16H10N2O8S2.2Na/c19-27(20,21)25-15-9-5-1-3-7-11(9)17-13(15)14-16(26-28(22,23)24)10-6-2-4-8-12(10)18-14;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: Disodium 6,6'-dichloro-4,4'-dimethyl[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate
cas: 3875-72-7
dtxsid: DTXSID7063217
formula: C18H12Cl2O8S4
inchikey: QXZGOSYDLJGDML-UHFFFAOYSA-L
norman_susdat_id: NS00046219
pubchem_cid: 77484
smiles: [Na+].[Na+].O=S(=O)([O-])OC1=C(SC2=CC(Cl)=CC(=C21)C)C=3SC4=CC(Cl)=CC(=C4C3OS(=O)(=O)[O-])C
inchi:
InChI=1/C18H12Cl2O8S4.2Na/c1-7-3-9(19)5-11-13(7)15(27-31(21,22)23)17(29-11)18-16(28-32(24,25)26)14-8(2)4-10(20)6-12(14)30-18;;/h3-6H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 9-arabinofuranosyladenine
cas: 38-75-0
formula: C10H13N5O4
inchikey: OIRDTQYFTABQOQ-KBNQYOMWSA-N
norman_susdat_id: NS00081931
smiles: Nc1ncnc2c1ncn2C3O[C@H](CO)[C@@H](O)[C@@H]3O
inchi:
InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)


name: Tetraammonium tetrahydrogen [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 38750-81-1
formula: C10H28N2O12P4.4H3N
inchikey: XPXGTWAJGFAPBT-UHFFFAOYSA-J
norman_susdat_id: NS00089803
inchi:
InChI=1/C10H28N2O12P4.4H3N/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);4*1H3/p-4

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Cucurbitacin D (Elatericin A)
cas: 3877-86-9
chebiid: CHEBI:3943
chemspiderid: 5281318
formula: C30H44O7
inchikey: SRPHMISUTWFFKJ-QJNWWGCFSA-N
norman_susdat_id: NS00094066
pubchem_cid: 4444695
smiles:
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O


name: 2,2'-([1,1'-biphenyl]-4,4'-diyldivinylene)bis(benzenesulphonic) acid
cas: 38775-22-3
formula: C28H22O6S2
inchikey: SQAKQVFOMMLRPR-UHFFFAOYSA-N
norman_susdat_id: NS00090290
smiles: OS(=O)(=O)c1ccccc1C=Cc2ccc(cc2)c3ccc(C=Cc4ccccc4S(=O)(=O)O)cc3
inchi:
InChI=1/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)


name: Azelaic acid, compound with hexane-1,6-diamine (1:1)
cas: 38775-37-0
formula: C9H16O4.C6H16N2
inchikey: LQNCHIQVPSEFRS-UHFFFAOYSA-N
norman_susdat_id: NS00089554
smiles: NCCCCCCN.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C6H16N2/c10-8(11)6-4-2-1-3-5-7-9(12)13;7-5-3-1-2-4-6-8/h1-7H2,(H,10,11)(H,12,13);1-8H2


name: Ethyl 2-((benzyl)amino)cyclohexene-1-carboxylate
cas: 38778-78-8
chemspiderid: 2284032
dtxsid: DTXSID70192042
formula: C16H21N1O2
inchikey: SZJAFTIFKQOVPU-UHFFFAOYSA-N
norman_susdat_id: NS00030459
pubchem_cid: 3016012
smiles: CCOC(=O)C1=C(CCCC1)NCc1ccccc1
inchi:
InChI=1S/C16H21NO2/c1-2-19-16(18)14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-5,8-9,17H,2,6-7,10-12H2,1H3


name: Tandutinib
cas: 387867-13-2
chebiid: CHEBI:90237
dtxsid: DTXSID8048947
formula: C31H42N6O4
inchikey: UXXQOJXBIDBUAC-UHFFFAOYSA-N
norman_susdat_id: NS00069682
pubchem_cid: 3038522
smiles: COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
inchi:
InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluorotetradecane
cas: 38787-57-4
dtxsid: DTXSID50895241
formula: C14H15F15
inchikey: JEXYDNQJEDESGU-UHFFFAOYSA-N
norman_susdat_id: NS00110691
smiles: CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H15F15/c1-2-3-4-5-6-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-7H2,1H3


name: 8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentadecafluorotetradec-6-ene
cas: 38787-60-9
dtxsid: DTXSID10895444
formula: C14H13F15
inchikey: AEYWRUOLWSDNSX-UHFFFAOYSA-N
norman_susdat_id: NS00109340
smiles: CCCCCC=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/C14H13F15/c1-2-3-4-5-6-7-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h6-7H,2-5H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodotetradecane
cas: 38787-66-5
dtxsid: DTXSID60895277
formula: C14H14F15I
inchikey: HAOJSOMNGULWCF-UHFFFAOYSA-N
norman_susdat_id: NS00111027
smiles: CCCCCC(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/C14H14F15I/c1-2-3-4-5-7(30)6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h7H,2-6H2,1H3


name: Lead isophthalate
cas: 38787-87-0
formula: C8H6O4.Pb
inchikey: BDPKMOYPOICDTD-UHFFFAOYSA-L
norman_susdat_id: NS00089578
smiles: [Pb+2].O=C([O-])C=1/C=C\C=C(/C=1)C([O-])=O
inchi:
InChI=1/C8H6O4.Pb.2H/c9-7(10)5-2-1-3-6(4-5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;;/q;+4;;/p-2/rC8H6O4.H2Pb/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10)(H,11,12);1H2/q;+4/p-2


name: Metofenazate
cas: 388-51-2
chebiid: CHEBI:59116
chemspiderid: 9417
dtxsid: DTXSID50192065
formula: C31H36Cl1N3O5S1
inchikey: BAQLUVXNKOTTHU-UHFFFAOYSA-N
norman_susdat_id: NS00004158
pubchem_cid: 9800
smiles: COc1cc(cc(OC)c1OC)C(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
inchi:
InChI=1S/C31H36ClN3O5S/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35/h4-5,7-10,19-21H,6,11-18H2,1-3H3


name: 4-nitrophenyl N-acetyl-3-phenyl-DL-alaninate
cas: 38806-34-7
dtxsid: DTXSID40959604
formula: C17H17N2O5
inchikey: OBFGGGOSBTXXCS-INIZCTEOSA-N
norman_susdat_id: NS00059470
pubchem_cid: 7021879
smiles: O=C(OC1=CC=C(C=C1)[N+](=O)[O-])C(NC(=O)C)CC=2C=CC=CC2
inchi:
InChI=1/C17H16N2O5/c1-12(20)18-16(11-13-5-3-2-4-6-13)17(21)24-15-9-7-14(8-10-15)19(22)23/h2-10,16H,11H2,1H3,(H,18,20)


name: Triethyloctadecylammonium bromide
cas: 3881-14-9
dtxsid: DTXSID20959607
formula: C24H52N
inchikey: QHTJNIWEAQKWRP-UHFFFAOYSA-M
norman_susdat_id: NS00046766
pubchem_cid: 10765288
smiles: [Br-].CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC
inchi:
InChI=1/C24H52N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(6-2,7-3)8-4;/h5-24H2,1-4H3;1H/q+1;/p-1


name: 2'-O-methylinosine
cas: 3881-21-8
chebiid: CHEBI:68467
chemspiderid: 8237839
dtxsid: DTXSID00435030
formula: C11H14N4O5
inchikey: HPHXOIULGYVAKW-IOSLPCCCSA-N
norman_susdat_id: NS00014739
pubchem_cid: 10062287
smiles: O=C3/N=CNc1c3ncn1[C@@H]2O[C@@H]([C@@H](O)[C@H]2OC)CO
inchi:
InChI=1S/C11H14N4O5/c1-19-8-7(17)5(2-16)20-11(8)15-4-14-6-9(15)12-3-13-10(6)18/h3-5,7-8,11,16-17H,2H2,1H3,(H,12,13,18)/t5-,7-,8-,11-/m1/s1


name: Amylotetraose
cas: 38819-01-1
chebiid: CHEBI:156790
dtxsid: DTXSID50865722
formula: C24H42O21
inchikey: LUEWUZLMQUOBSB-HGDSAIHNSA-N
norman_susdat_id: NS00073034
pubchem_cid: 5288428
inchi:
InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+/m1/s1

smiles:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O


name: N-methylmorphinan
cas: 3882-38-0
chebiid: CHEBI:7303
dtxsid: DTXSID90959614
formula: C17H23N
inchikey: IHBSVVZENGBQDY-BBWFWOEESA-N
norman_susdat_id: NS00046767
pubchem_cid: 5462509
smiles: C=1C=CC2=C(C1)CC3N(C)CCC24CCCCC34
inchi:
InChI=1/C17H23N/c1-18-11-10-17-9-5-4-8-15(17)16(18)12-13-6-2-3-7-14(13)17/h2-3,6-7,15-16H,4-5,8-12H2,1H3


name: Phosphonic acid, [1,6-hexanediylbis[nitrilobis(methylene)]]tetrakis-
cas: 38820-59-6
chemspiderid: 81441
dtxsid: DTXSID9066916
formula: C10H28N2O12P4
inchikey: KIDJHPQACZGFTI-UHFFFAOYSA-N
norman_susdat_id: NS00010193
pubchem_cid: 90209
smiles: OP(O)(=O)CN(CCCCCCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C10H28N2O12P4/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)


name: N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]benzamide monohydrochloride
cas: 38821-52-2
formula: C22H25N3O.ClH
inchikey: AFJSFHAKSSWOKG-UHFFFAOYSA-N
norman_susdat_id: NS00089579
smiles: Cl.O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c4ccccc4
inchi:
InChI=1/C22H25N3O.ClH/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);1H


name: Cephradine
cas: 38821-53-3
chemspiderid: 2572
dtxsid: DTXSID4022785
formula: C16H19N3O4S1
inchikey: RDLPVSKMFDYCOR-UHFFFAOYSA-N
norman_susdat_id: NS00005444
pubchem_cid: 2673
smiles: CC1=C(N2C(SC1)C(NC(=O)C(N)C1=CCC=CC1)C2=O)C(O)=O
inchi:
InChI=1S/C16H19N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)


name: Titanium a,a,4-trimethylcyclohex-3-ene-1-methanolate (1:4)
cas: 38827-07-5
dtxsid: DTXSID90959619
formula: C10H18O
inchi: InChI=1/4C10H17O.Ti/c4*1-8-4-6-9(7-5-8)10(2,3)11;/h4*4,9H,5-7H2,1-3H3;/q4*-1;+2
inchikey: WXSWNRDHCHYHCB-UHFFFAOYSA-N
norman_susdat_id: NS00060501
pubchem_cid: 17100
smiles:
[Ti].[O-]C(C)(C)C1CC=C(C)CC1.[O-]C(C)(C)C1CC=C(C)CC1.[O-]C(C)(C)C1CC=C(C)CC1.[O-]C(C)(C)C1CC=C(C)CC1


cas: 38832-94-9
dtxsid: DTXSID70897308
formula: C42H42F21O6Pr
inchikey: KXUNMDYEYVRZEZ-UHFFFAOYSA-N
norman_susdat_id: NS00111525
name:
Praseodymium, tris[3-[2,2,3,3,4,4,4-heptafluoro-1-(oxo-βO)butyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-βO]-

inchi:
InChI=1S/3C14H14F7O2.Pr/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6H,4-5H2,1-3H3;/q3*-1;+3

smiles:
[Pr+3].CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F.CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F.CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Chlorooctylmagnesium
cas: 38841-98-4
formula: C8H17ClMg
inchikey: DPBWWQDKVQLWFK-UHFFFAOYSA-M
norman_susdat_id: NS00089825
smiles: CCCCCCCC[Mg]Cl
inchi:
InChI=1/C8H17.ClH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q;;+1/p-1/rC8H17ClMg/c1-2-3-4-5-6-7-8-10-9/h2-8H2,1H3


name: 5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)
cas: 38845-47-5
formula: C18H21N6.Cl3Zn
inchikey: LEQFLSMIOLELKR-UHFFFAOYSA-L
norman_susdat_id: NS00089829
smiles: CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C18H22N6.3ClH.Zn/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;;;;/h4-12,14,18H,13H2,1-3H3;3*1H;/q;;;;+2/p-2/rC18H22N6.Cl3Zn/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-4(2)3/h4-12,14,18H,13H2,1-3H3;/q;-1/p+1


cas: 38845-49-7
dtxsid: DTXSID90192105
formula: C23H25N2
inchikey: JJSJKRSQMJDYKS-UHFFFAOYSA-K
norman_susdat_id: NS00060503
pubchem_cid: NA
smiles: Cl[Zn-](Cl)Cl.C=1C=CC(C=2C=CC(=CC2)N(C)C)=C(C1)C=C3C=CC(C=C3)=[N+](C)C
name:
Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium trichlorozincate

inchi:
InChI=1/C23H25N2.3ClH.Zn/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;;;;/h5-17H,1-4H3;3*1H;/q+1;;;;+2/p-3/rC23H25N2.Cl3Zn/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-4(2)3/h5-17H,1-4H3;/q+1;-1


name: 3-(9,10-ethano-9(10H)-anthryl)acrylaldehyde
cas: 38849-09-1
chemspiderid: 27524619
formula: C19H16O1
inchikey: SEKAHXWZBXZWDA-UHFFFAOYSA-N
norman_susdat_id: NS00005803
pubchem_cid: 57349629
smiles: O=CC=CC12CCC(c3ccccc13)c1ccccc21
inchi:
InChI=1S/C19H16O/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-9,11,13-14H,10,12H2


name: 3-[[1-[(anilino)carbonyl]-2-oxopropyl]azo]-2-hydroxy-5-nitrobenzenesulphonic acid
cas: 38850-01-0
dtxsid: DTXSID90864254
formula: C16H15N4O8S
inchikey: WPZBEKVKMIOWDO-UHFFFAOYSA-N
norman_susdat_id: NS00060504
pubchem_cid: 110180
smiles: O=C(NC=1C=CC=CC1)C(N=NC=2C=C(C=C(C2O)S(=O)(=O)O)[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C16H14N4O8S/c1-9(21)14(16(23)17-10-5-3-2-4-6-10)19-18-12-7-11(20(24)25)8-13(15(12)22)29(26,27)28/h2-8,14,22H,1H3,(H,17,23)(H,26,27,28)


name: 3-(Carboxymethyl(perfluorohexylsulfonyl)amino)-N,N,N-trimethylpropanaminium
cas: 38850-52-1
chemspiderid: 148764
dtxsid: DTXSID6068145
formula: C14H18F13N2O4S1
inchikey: PHLQZHXBMDKUNG-UHFFFAOYSA-N
norman_susdat_id: NS00011324
pubchem_cid: 170130
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[N+](C)(C)C)C([O-])=O
inchi:
InChI=1S/C14H17F13N2O4S/c1-29(2,3)6-4-5-28(7-8(30)31)34(32,33)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h4-7H2,1-3H3


name: (2-Hydroxyethyl)dimethyl(3-((3-sulfopropyl)((tridecafluorohexyl)sulfonyl)amino)propyl)ammonium
cas: 38850-58-7
chemspiderid: 142544
dtxsid: DTXSID70880417
formula: C16H24F13N2O6S2
inchikey: WYFODDRZFDBDDF-UHFFFAOYSA-N
norman_susdat_id: NS00011342
pubchem_cid: 162332
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[S]([O-])(=O)=O)CC[N+](CCO)(C)C
inchi:
InChI=1S/C16H23F13N2O6S2/c1-31(2,8-9-32)7-3-5-30(6-4-10-38(33,34)35)39(36,37)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h32H,3-10H2,1-2H3


name: 3-((3-(Dimethylamino)propyl)((tridecafluorohexyl)sulfonyl)amino)-1-propanesulfonic acid
cas: 38850-60-1
chemspiderid: 148766
dtxsid: DTXSID1068146
formula: C14H19F13N2O5S2
inchikey: XXEJCEXMBHWWLY-UHFFFAOYSA-N
norman_susdat_id: NS00011333
pubchem_cid: 170132
smiles: C(N([S](C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CCCN(C)C)CC[S](=O)(=O)O
inchi:
InChI=1S/C14H19F13N2O5S2/c1-28(2)5-3-6-29(7-4-8-35(30,31)32)36(33,34)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h3-8H2,1-2H3,(H,30,31,32)


name: 5-tert-butyl N-[(phenylmethoxy)carbonyl]-L-glutamate
cas: 3886-08-6
formula: C17H23NO6
inchikey: GLMODRZPPBZPPB-ZDUSSCGKSA-M
norman_susdat_id: NS00046221
pubchem_cid: 7010518
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)[O-])CCC(=O)OC(C)(C)C
inchi:
InChI=1/C17H23NO6/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/p-1


name: 2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one
cas: 388604-55-5
dtxsid: DTXSID00402686
formula: C15H11BrClNO2S
inchikey: KEGQNJITMFBVAC-HNNXBMFYSA-N
norman_susdat_id: NS00069072
pubchem_cid: 44129612
smiles: O=C1CS[C@@H](c2cccc(Br)c2)N1c1cc(Cl)ccc1O
inchi:
InChI=1S/C15H11BrClNO2S/c16-10-3-1-2-9(6-10)15-18(14(20)8-21-15)12-7-11(17)4-5-13(12)19/h1-7,15,19H,8H2/t15-/m0/s1


name: 1-((3-(Dimethylamino)propyl)amino)-4-hydroxyanthraquinone
cas: 38866-17-0
chemspiderid: 65578
dtxsid: DTXSID20192118
formula: C19H20N2O3
inchikey: JZTAIFJWWKIHKJ-UHFFFAOYSA-N
norman_susdat_id: NS00030473
pubchem_cid: 72739
smiles: CN(C)CCCNc1c2C(=O)c3ccccc3C(=O)c2c(O)cc1
inchi:
InChI=1S/C19H20N2O3/c1-21(2)11-5-10-20-14-8-9-15(22)17-16(14)18(23)12-6-3-4-7-13(12)19(17)24/h3-4,6-9,20,22H,5,10-11H2,1-2H3


name: HYDROXYANTHRAQUI- NONEAMINOPROPYL METHYL MORPHOLINIUM METHOSULFATE
cas: 38866-20-5
chemspiderid: 17333355
formula: C22H25N2O4
inchikey: SYCPNQVSWYADQU-UHFFFAOYSA-O
norman_susdat_id: NS00013749
pubchem_cid: 16205113
smiles: CO[S]([O-])(=O)=O.C[N+]1(CCCNc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)CCOCC1
inchi:
InChI=1S/C22H24N2O4.CH4O4S/c1-24(11-13-28-14-12-24)10-4-9-23-17-7-8-18(25)20-19(17)21(26)15-5-2-3-6-16(15)22(20)27;1-5-6(2,3)4/h2-3,5-8H,4,9-14H2,1H3,(H-,23,25,26,27);1H3,(H,2,3,4)


name: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium dihydrogen phosphate
cas: 38875-96-6
formula: C28H31N2O3.H2O4P
inchikey: XJLUOIGLDLMUBZ-UHFFFAOYSA-K
norman_susdat_id: NS00089861
smiles: CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C28H31N2O3.H3O4P/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;1-5(2,3)4/h9-16,29-30H,6-8H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3


name: Sodium hydrogen 4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 3888-44-6
formula: C10H8O8S2.Na
inchikey: UPYOFRGSTDARPV-UHFFFAOYSA-L
norman_susdat_id: NS00082229
smiles: [Na+].Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-2


name: 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1,2-dimethyl-1H-indol-3-yl)phthalide
cas: 38880-20-5
dtxsid: DTXSID10959656
formula: C30H32N2O3
inchikey: ZBMDFKAEMYQIHN-UHFFFAOYSA-N
norman_susdat_id: NS00059514
pubchem_cid: 10227000
smiles: O=C1OC(C2=CC=C(C=C2OCC)N(CC)CC)(C=3C=CC=CC13)C=4C=5C=CC=CC5N(C4C)C
inchi:
InChI=1/C30H32N2O3/c1-6-32(7-2)21-17-18-25(27(19-21)34-8-3)30(24-15-11-9-13-22(24)29(33)35-30)28-20(4)31(5)26-16-12-10-14-23(26)28/h9-19H,6-8H2,1-5H3


name: Sucrose heptapalmitate
cas: 38884-66-1
dtxsid: DTXSID40192135
formula: C124H232O18
inchikey: ZVQUPBKQELCYRA-IWXMHAAESA-N
norman_susdat_id: NS00059515
pubchem_cid: 56842494
inchi:
InChI=1/C124H232O18/c1-8-15-22-29-36-43-50-57-64-71-78-85-92-99-111(126)133-107-110-119(137-114(129)102-95-88-81-74-67-60-53-46-39-32-25-18-11-4)122(140-117(132)105-98-91-84-77-70-63-56-49-42-35-28-21-14-7)124(141-110,108-134-112(127)100-93-86-79-72-65-58-51-44-37-30-23-16-9-2)142-123-121(139-116(131)104-97-90-83-76-69-62-55-48-41-34-27-20-13-6)120(138-115(130)103-96-89-82-75-68-61-54-47-40-33-26-19-12-5)118(109(106-125)135-123)136-113(128)101-94-87-80-73-66-59-52-45-38-31-24-17-10-3/h109-110,118-123,125H,8-108H2,1-7H3

smiles:
O=C(OCC1OC(OC2OC(CO)C(OC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC


name: Pieristoxin G
cas: 38886-82-7
chemspiderid: 148299
dtxsid: DTXSID50276596
formula: C20H32O8
inchikey: XSEQBUVOXWTHGU-ZFSHFZNVSA-N
norman_susdat_id: NS00094725
pubchem_cid: 169574
inchi:
InChI=1S/C20H32O8/c1-15(2)14-9(28-14)10-17(4,25)19(26)6-5-8-11(21)18(19,7-16(8,3)24)12(22)13(23)20(10,15)27/h8-14,21-27H,5-7H2,1-4H3/t8-,9-,10-,11-,12+,13+,14-,16+,17-,18?,19+,20-/m0/s1

smiles:
C[C@@]1(O)CC23[C@@H](O)[C@@H]1CC[C@@]2(O)[C@@](C)(O)[C@@H]1[C@@H]2O[C@@H]2C(C)(C)[C@@]1(O)[C@H](O)[C@H]3O


name: ar'-Isopropyl-N-(ar'-isopropyl(1,1'-biphenyl)-4-yl)(1,1'-biphenyl)-4-amine
cas: 38890-77-6
chemspiderid: 35766194
dtxsid: DTXSID50192141
formula: C30H31N1
inchikey: BHHYCPJVICRWIC-UHFFFAOYSA-N
norman_susdat_id: NS00030481
pubchem_cid: 56842555
smiles: CC(C)c1c(ccc(Nc2cc(C(C)C)c(cc2)c2ccccc2)c1)c1ccccc1
inchi:
InChI=1S/C30H31N/c1-21(2)29-19-25(15-17-27(29)23-11-7-5-8-12-23)31-26-16-18-28(30(20-26)22(3)4)24-13-9-6-10-14-24/h5-22,31H,1-4H3


name: 1-Aziridinecarboxamide, N-octadecyl-
cas: 3891-29-0
chemspiderid: 69909
dtxsid: DTXSID6063226
formula: C21H42N2O1
inchikey: MEMUMYCLWQPAEX-UHFFFAOYSA-N
norman_susdat_id: NS00030482
pubchem_cid: 77500
smiles: CCCCCCCCCCCCCCCCCCNC(=O)N1CC1
inchi:
InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-21(24)23-19-20-23/h2-20H2,1H3,(H,22,24)


name: Glucose pentaacetate
cas: 3891-59-6
dtxsid: DTXSID70878056
formula: C16H22O11
inchikey: UAOKXEHOENRFMP-ZJIFWQFVSA-N
norman_susdat_id: NS00046285
pubchem_cid: 92972
smiles: O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C
inchi:
InChI=1/C16H22O11/c1-8(18)23-7-14(25-10(3)20)16(27-12(5)22)15(26-11(4)21)13(6-17)24-9(2)19/h6,13-16H,7H2,1-5H3


name: Tetrasodium N-(3-carboxyl-1-sulfopropyl)-N-stearyl aspartate
cas: 38916-42-6
chemspiderid: 19960603
dtxsid: DTXSID5036478
formula: C26H47N1O10S1
inchikey: XZPMQCKVOWVETG-UHFFFAOYNA-J
norman_susdat_id: NS00019721
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C26H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37)/t21-,22-/m0/s1


cas: 38926-38-4
dtxsid: DTXSID70885765
formula: C25H31N2O
inchikey: NJMYZPJDJLVCHF-UHFFFAOYSA-M
norman_susdat_id: NS00060561
pubchem_cid: NA
smiles: [Cl-].O(C1=CC=C2C(=C1)C(C)(C)C(N2C=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C)C
name:
2-[2-(2,3-dihydro-5-methoxy-2,3,3-trimethyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride

inchi:
InChI=1/C25H31N2O.ClH/c1-17-24(2,3)20-16-18(28-7)12-13-22(20)27(17)15-14-23-25(4,5)19-10-8-9-11-21(19)26(23)6;/h8-17H,1-7H3;1H/q+1;/p-1


cas: 38932-40-0
formula: C16H17N3O4S.Na
inchikey: NZDYPHVJLWMLJI-UHFFFAOYSA-M
norman_susdat_id: NS00090340
smiles: CC1=C(N2C(SC1)C(NC(=O)C(N)c3ccccc3)C2=O)C(=O)O[Na]
name:
Sodium [6R-[6a,7ß(R*)]]-7-(aminophenylacetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C16H17N3O4S.Na/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);/q;+1/p-1


name: 1,3,3-trimethyl-2-[(methyl-2-naphthylhydrazono)methyl]-3H-indolium chloride
cas: 38936-33-3
dtxsid: DTXSID30885766
formula: C23H24N3
inchikey: HRKCUHYONZGYJM-UHFFFAOYSA-M
norman_susdat_id: NS00058530
pubchem_cid: NA
smiles: [Cl-].N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)N(C=3C=CC=4C=CC=CC4C3)C
inchi:
InChI=1/C23H24N3.ClH/c1-23(2)20-11-7-8-12-21(20)25(3)22(23)16-24-26(4)19-14-13-17-9-5-6-10-18(17)15-19;/h5-16H,1-4H3;1H/q+1;/p-1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 38936-35-5
formula: C20H24N3O.Cl
inchikey: AFIRWNNNZPZHLP-UHFFFAOYSA-N
norman_susdat_id: NS00088718
smiles: [Cl-].COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.ClH/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;/h5-12,14H,13H2,1-4H3;1H


name: Cyclohexylphenylacetic acid
cas: 3894-09-5
formula: C14H18O2
inchikey: AAJLPPDFIRPBDA-UHFFFAOYSA-N
norman_susdat_id: NS00045554
pubchem_cid: 97942
smiles: O=C(O)C(C=1C=CC=CC1)C2CCCCC2
inchi:
InChI=1/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)


name: Cyclohexylammonium oleate
cas: 38945-70-9
formula: C18H34O2.C6H13N
inchikey: WNPNSXNXDXEXAN-KVVVOXFISA-N
norman_susdat_id: NS00089396
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)[O-].[NH3+]C1CCCCC1
inchi:
InChI=1/C18H34O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);6H,1-5,7H2


name: Ethyl 6,6-dimethyl-3-[(4-methyl-2-nitrophenyl)azo]-2,4-dioxocyclohexanecarboxylate
cas: 38949-38-1
dtxsid: DTXSID50885768
formula: C18H22N3O6
inchikey: SABNWZIMKVRPJZ-UHFFFAOYSA-N
norman_susdat_id: NS00057540
pubchem_cid: 170137
smiles: O=C(OCC)C1C(=O)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)CC1(C)C
inchi:
InChI=1/C18H21N3O6/c1-5-27-17(24)14-16(23)15(13(22)9-18(14,3)4)20-19-11-7-6-10(2)8-12(11)21(25)26/h6-8,14-15H,5,9H2,1-4H3


name: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium chloride
cas: 3895-92-9
dtxsid: DTXSID70893481
formula: C21H18NO4
inchikey: WEEFNMFMNMASJY-UHFFFAOYSA-M
norman_susdat_id: NS00046252
pubchem_cid: 72311
smiles: [Cl-].O(C=1C=CC2=C3C=CC=4C=C5OCOC5=CC4C3=[N+](C=C2C1OC)C)C
inchi:
InChI=1/C21H18NO4.ClH/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1


name: 5-oxo-L-proline, compound with 6-amino-2-methylheptan-2-ol (1:1)
cas: 38951-08-5
formula: C8H19NO.C5H7NO3
inchikey: PJVIBXYXAYCWIJ-HVDRVSQOSA-N
norman_susdat_id: NS00088720
smiles: CC(N)CCCC(C)(C)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C8H19NO.C5H7NO3/c1-7(9)5-4-6-8(2,3)10;7-4-2-1-3(6-4)5(8)9/h7,10H,4-6,9H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Barium bis[3-(dodecylthio)propionate]
cas: 38952-49-7
formula: C15H30O2S.1/2Ba
inchikey: UMVQPLCVZQYGDJ-UHFFFAOYSA-L
norman_susdat_id: NS00088945
smiles: [Ba+2].CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: Barium bis[3-(octadecylthio)propionate]
cas: 38952-51-1
dtxsid: DTXSID00890847
formula: C21H42O2S
inchikey: IBXOVGVKIOWOEQ-UHFFFAOYSA-L
norman_susdat_id: NS00058595
pubchem_cid: 170143
smiles: [Ba+2].O=C([O-])CCSCCCCCCCCCCCCCCCCCC.O=C([O-])CCSCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C21H42O2S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23;/h2*2-20H2,1H3,(H,22,23);/q;;+2/p-2


name: Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
cas: 38953-16-1
formula: C9H10N4O4.1/2Mg
inchikey: TYERUTUVDKNUGR-UHFFFAOYSA-L
norman_susdat_id: NS00088946
smiles: [Mg+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O
inchi:
InChI=1/2C9H10N4O4.Mg/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2


name: Prasugrel hydrochloride
cas: 389574-19-0
dtxsid: DTXSID1049067
formula: C20H21ClFNO3S
inchikey: JALHGCPDPSNJNY-UHFFFAOYSA-N
norman_susdat_id: NS00076200
smiles: Cl.CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1
inchi:
InChI=1/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H


name: Bumetrizole
cas: 3896-11-5
chemspiderid: 56304
dtxsid: DTXSID9036438
formula: C17H18Cl1N3O1
inchikey: OCWYEMOEOGEQAN-UHFFFAOYSA-N
norman_susdat_id: NS00004466
pubchem_cid: 62531
smiles: Cc1cc(c(O)c(c1)C(C)(C)C)-n1nc2ccc(Cl)cc2n1
inchi:
InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3


name: 2-amino-5-(5,5-diphenylhydantoin-3-yl)valeric acid
cas: 38964-88-4
chebiid: CHEBI:134734
dtxsid: DTXSID50959812
formula: C20H21N3O4
inchikey: PAJBBDCZSMDSFL-UHFFFAOYSA-N
norman_susdat_id: NS00057635
pubchem_cid: 3084726
smiles: O=C(O)C(N)CCCN1C(=O)NC(C1=O)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H21N3O4/c21-16(17(24)25)12-7-13-23-18(26)20(22-19(23)27,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,21H2,(H,22,27)(H,24,25)


name: 17beta-Hydroxyandrost-4-en-3-one 3,3-dimethylbutyrate
cas: 38965-27-4
chemspiderid: 21230166
dtxsid: DTXSID00192257
formula: C25H38O3
inchikey: LVMDQTKLLVECJT-FYVXYBBASA-N
norman_susdat_id: NS00030495
pubchem_cid: 56842614
smiles: CC(C)(C)CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C25H38O3/c1-23(2,3)15-22(27)28-21-9-8-19-18-7-6-16-14-17(26)10-12-24(16,4)20(18)11-13-25(19,21)5/h14,18-21H,6-13,15H2,1-5H3/t18-,19-,20+,21-,24-,25+/m1/s1


name: (S)-2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one
cas: 38965-51-4
chebiid: CHEBI:139458
dtxsid: DTXSID70959814
formula: C21H22O11
inchikey: RAFHNDRXYHOLSH-SFTVRKLSSA-N
norman_susdat_id: NS00057200
pubchem_cid: 13254473
smiles: O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C=C2OC(C4=CC=C(O)C(O)=C4)C1
inchi:
InChI=1/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2


name: Aristolochic acid Ia
cas: 38965-71-8
chemspiderid: 130731
dtxsid: DTXSID60192258
formula: C16H9NO7
inchikey: LGZIKBZSCRORQN-UHFFFAOYSA-N
norman_susdat_id: NS00094747
pubchem_cid: 148297
smiles: OC(=O)C1=CC2=C(OCO2)C2=C3C=CC=C(O)C3=CC(=C12)[N+]([O-])=O
inchi:
InChI=1S/C16H9NO7/c18-11-3-1-2-7-8(11)4-10(17(21)22)13-9(16(19)20)5-12-15(14(7)13)24-6-23-12/h1-5,18H,6H2,(H,19,20)


name: Aphidicolin
cas: 38966-21-1
chebiid: CHEBI:2766
chemspiderid: 10280269
dtxsid: DTXSID5036711
formula: C20H34O4
inchikey: NOFOAYPPHIUXJR-APNQCZIXSA-N
norman_susdat_id: NS00011827
pubchem_cid: 457964
smiles: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O
inchi:
InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1


name: (±)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]-2-methylisoquinoline
cas: 38969-65-2
formula: C18H25NO
inchikey: CRXXSGLBECOUQH-UHFFFAOYSA-N
norman_susdat_id: NS00089411
smiles: COc1ccc(CC2N(C)CCC3=C2CCCC3)cc1
inchi:
InChI=1/C18H25NO/c1-19-12-11-15-5-3-4-6-17(15)18(19)13-14-7-9-16(20-2)10-8-14/h7-10,18H,3-6,11-13H2,1-2H3


name: N-(4-Iodobenzoyl)-L-glutamic acid
cas: 38974-68-4
chemspiderid: 148774
dtxsid: DTXSID90192261
formula: C12H12I1N1O5
inchikey: PQOYLAVKDNWUOQ-VIFPVBQESA-N
norman_susdat_id: NS00030496
pubchem_cid: 170145
smiles: OC(=O)CC[C@H](NC(=O)c1ccc(I)cc1)C(=O)O
inchi:
InChI=1S/C12H12INO5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1


name: 1-(4'-Carboxybutyl)-3,7-dimethylxanthine
cas: 38975-44-9
chemspiderid: 2339921
dtxsid: DTXSID50192262
formula: C12H16N4O4
inchikey: JDMFPLGXRUJOTC-UHFFFAOYSA-N
norman_susdat_id: NS00003501
pubchem_cid: 3082496
smiles: Cn1cnc2n(C)c(=O)n(CCCCC(O)=O)c(=O)c12
inchi:
InChI=1S/C12H16N4O4/c1-14-7-13-10-9(14)11(19)16(12(20)15(10)2)6-4-3-5-8(17)18/h7H,3-6H2,1-2H3,(H,17,18)


name: Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-, benzoate (ester)
cas: 38978-80-2
chemspiderid: 148775
dtxsid: DTXSID5068152
formula: C23H22N4O4
inchikey: HFAUUNNJWQYWET-UHFFFAOYSA-N
norman_susdat_id: NS00030497
pubchem_cid: 170146
smiles: CCN(CCOC(=O)c1ccccc1)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C23H22N4O4/c1-2-26(16-17-31-23(28)18-6-4-3-5-7-18)21-12-8-19(9-13-21)24-25-20-10-14-22(15-11-20)27(29)30/h3-15H,2,16-17H2,1H3


name: (S)-CPW 399
cas: 389888-02-2
dtxsid: DTXSID50349678
formula: C10H13N3O4
inchikey: VSGUEKZRMJVQOH-LURJTMIESA-N
norman_susdat_id: NS00068493
pubchem_cid: 657004
smiles: N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)O
inchi:
InChI=1S/C10H13N3O4/c11-6(9(15)16)4-13-7-3-1-2-5(7)8(14)12-10(13)17/h6H,1-4,11H2,(H,15,16)(H,12,14,17)/t6-/m0/s1


name: 2,3,10,11-tetramethoxy-8-methyldibenzo[a,g]quinolizinium chloride
cas: 38989-38-7
dtxsid: DTXSID50959832
formula: C22H22NO4
inchikey: PDYBUYVOPAJLKP-UHFFFAOYSA-M
norman_susdat_id: NS00057636
pubchem_cid: 23306
smiles: [Cl-].O(C=1C=C2C=C[N+]=3C(=CC=4C=C(OC)C(OC)=CC4C3C)C2=CC1OC)C
inchi:
InChI=1/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1


name: 3-(p-fluorophenyl)-3-(p-tolyl)propionic acid
cas: 390-43-2
dtxsid: DTXSID10959838
formula: C16H15FO2
inchikey: SPOHRFJDXRPXLF-UHFFFAOYSA-N
norman_susdat_id: NS00041778
pubchem_cid: 3013871
smiles: O=C(O)CC(C1=CC=C(F)C=C1)C2=CC=C(C=C2)C
inchi:
InChI=1/C16H15FO2/c1-11-2-4-12(5-3-11)15(10-16(18)19)13-6-8-14(17)9-7-13/h2-9,15H,10H2,1H3,(H,18,19)


name: Prenylamine
cas: 390-64-7
chebiid: CHEBI:8397
chemspiderid: 9418
dtxsid: DTXSID0048555
formula: C24H27N1
inchikey: IFFPICMESYHZPQ-UHFFFAOYSA-N
norman_susdat_id: NS00009915
pubchem_cid: 9801
smiles: CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3


cas: 39002-49-8
formula: C34H24Cl2CrN10O10S2
inchikey: YXOVKZXEJRAWMM-UHFFFAOYSA-L
norman_susdat_id: NS00089418
name:
Bis[2-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-sulphamoylbenzoato(2-)]chromate(1-)

inchi:
InChI=1/2C17H14ClN5O5S.Cr/c2*1-9-15(16(24)23(22-9)11-4-2-3-10(18)7-11)21-20-14-6-5-12(29(19,27)28)8-13(14)17(25)26;/h2*2-8,15H,1H3,(H,25,26)(H2,19,27,28);/q;;+2/p-2

smiles:
CC1=NN(C(=O)C1N=Nc2ccc(cc2C(=O)O[Cr]OC(=O)c3cc(ccc3N=NC4C(=NN(C4=O)c5cccc(Cl)c5)C)S(=O)(=O)N)S(=O)(=O)N)c6cccc(Cl)c6


name: 9,10-Anthracenedione, 1,8-dihydroxy-2,5-dinitro-
cas: 39003-36-6
chemspiderid: 4590301
dtxsid: DTXSID5068154
formula: C14H6N2O8
inchikey: WZFXDVLVEULHSB-UHFFFAOYSA-N
norman_susdat_id: NS00030500
pubchem_cid: 5490206
smiles: Oc1c2C(=O)c3c(ccc(c3O)[N+](=O)[O-])C(=O)c2c(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C14H6N2O8/c17-8-4-3-6(15(21)22)10-11(8)14(20)9-5(12(10)18)1-2-7(13(9)19)16(23)24/h1-4,17,19H


name: 17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-hexadecanoate
cas: 39007-81-3
dtxsid: DTXSID00959847
formula: C37H56O6
inchikey: NVYPOGVSAYIAHI-DEOBSOAFSA-N
norman_susdat_id: NS00057202
pubchem_cid: 3084729
smiles: O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)CCCCCCCCCCCCCCC)C
inchi:
InChI=1/C37H56O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-30,34,42H,4-19,21,23,25-26H2,1-3H3


name: Rhodexoside
cas: 39007-98-2
chemspiderid: 123131910
formula: C35H54O14
inchikey: JSZSULSFHPSNTE-OSUGLFFKSA-N
norman_susdat_id: NS00093823
pubchem_cid: 8803843
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]3[C@@H](C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O


name: 3-(cyclopropylcarbonyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
cas: 3901-17-5
dtxsid: DTXSID30959850
formula: C18H23NO2
inchikey: IMYFCLLEKFFDDC-UHFFFAOYSA-N
norman_susdat_id: NS00046846
pubchem_cid: 107190
smiles: O=C(N1CCC2(C3=CC(O)=CC=C3CC1C2C)C)C4CC4
inchi:
InChI=1/C18H23NO2/c1-11-16-9-13-5-6-14(20)10-15(13)18(11,2)7-8-19(16)17(21)12-3-4-12/h5-6,10-12,16,20H,3-4,7-9H2,1-2H3


name: Albiflorin
cas: 39011-90-0
chebiid: CHEBI:132793
chemspiderid: 24868421
formula: C23H28O11
inchikey: QQUHMASGPODSIW-ICECTASOSA-N
norman_susdat_id: NS00093949
pubchem_cid: 29273167
smiles:
C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O


name: Oxypaeoniflorin
cas: 39011-91-1
chebiid: CHEBI:132789
chemspiderid: 21631105
formula: C23H28O12
inchikey: FCHVXNVDFYXLIL-WRJNSLSBSA-N
norman_susdat_id: NS00093950
pubchem_cid: 10260964
smiles:
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O


cas: 39012-20-9
dtxsid: DTXSID30904845
formula: C23H28O13
inchikey: AKNILCMFRRDTEY-UHFFFAOYSA-N
norman_susdat_id: NS00057203
pubchem_cid: 3081484
smiles: O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C5=CC=C(O)C(OC)=C5
name:
ß-d-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-[(4-hydroxy-3-methoxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-(1aa,1bß,2ß,5aß,6ß,6aa)]-

inchi:
InChI=1/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3


name: a-[(methylamino)methyl]-9,10-ethanoanthracene-9(10H)-ethanol hydrochloride
cas: 39022-39-4
formula: C20H23NO
inchikey: MUOSVLIKDZRWMP-UHFFFAOYSA-N
norman_susdat_id: NS00057589
pubchem_cid: 38207
smiles: Cl.OC(CNC)CC12C=3C=CC=CC3C(C=4C=CC=CC41)CC2
inchi:
InChI=1/C20H23NO.ClH/c1-21-13-14(22)12-20-11-10-15(16-6-2-4-8-18(16)20)17-7-3-5-9-19(17)20;/h2-9,14-15,21-22H,10-13H2,1H3;1H


name: 1,3,4,6-tetrakis-O-(1-oxohexadecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetrapalmitate
cas: 39024-75-4
formula: C76H142O15
inchikey: GFEINAYNHJCFHG-OZDXMWMRSA-J
norman_susdat_id: NS00066772
pubchem_cid: NA
inchi:
InChI=1/C76H141O15.4C16H32O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-66(78)85-62-65-72(88-68(80)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)74(89-69(81)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)76(90-65,91-73-71(83)70(82)64(61-77)87-75(73)84)63-86-67(79)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h64-65,70-75,77,82-83H,5-63H2,1-4H3;4*2-15H2,1H3,(H,17,18)/q-1;;;;/p-4

smiles:
O=C([O-])CCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCC.O=C(OCC1OC(OC2C([O-])OC(CO)C(O)C2O)(COC(=O)CCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC


name: Guggulsterone Z
cas: 39025-23-5
chemspiderid: 4944297
dtxsid: DTXSID1033539
formula: C21H28O2
inchikey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N
norman_susdat_id: NS00030501
pubchem_cid: 6450278
smiles: CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1


name: 4,4'-Methylenebis(3-methoxynaphthalene-2-carbonyl chloride)
cas: 39026-34-1
chemspiderid: 21230169
dtxsid: DTXSID40192291
formula: C25H18Cl2O4
inchikey: LFAUJRVUXMMOGY-UHFFFAOYSA-N
norman_susdat_id: NS00030502
pubchem_cid: 56842678
smiles: COc1c(Cc2c(OC)c(cc3ccccc23)C(=O)Cl)c2ccccc2cc1C(=O)Cl
inchi:
InChI=1S/C25H18Cl2O4/c1-30-22-18(16-9-5-3-7-14(16)11-20(22)24(26)28)13-19-17-10-6-4-8-15(17)12-21(25(27)29)23(19)31-2/h3-12H,13H2,1-2H3


name: 7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexadecafluoro-13-(trifluoromethyl)tetradecan-1-ol
cas: 390410-82-9
dtxsid: DTXSID50896334
formula: C15H13F19O
inchikey: NLUBBCMDGCPSRF-UHFFFAOYSA-N
norman_susdat_id: NS00110783
smiles: OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C15H13F19O/c16-7(17,5-3-1-2-4-6-35)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h35H,1-6H2


name: 2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium acetate
cas: 39043-53-3
formula: C22H42N2O.C2H4O2
inchikey: UNHDWXNPGIJCGR-UHFFFAOYSA-N
norman_susdat_id: NS00089433
smiles: OCC[NH+]1CC\N=C1\C=CCCCCCCCCCCCCCCC.[O-]C(C)=O
inchi:
InChI=1/C22H42N2O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-2(3)4/h16-17,25H,2-15,18-21H2,1H3;1H3,(H,3,4)


name: Pigment Red 166
cas: 3905-19-9
dtxsid: DTXSID8052063
formula: C40H24Cl4N6O4
inchikey: NQDGNYQKISTHLK-UHFFFAOYSA-N
norman_susdat_id: NS00099537
inchi:
InChI=1S/C40H24Cl4N6O4/c41-23-9-15-31(43)33(19-23)47-49-35-27-7-3-1-5-21(27)17-29(37(35)51)39(53)45-25-11-13-26(14-12-25)46-40(54)30-18-22-6-2-4-8-28(22)36(38(30)52)50-48-34-20-24(42)10-16-32(34)44/h1-20,51-52H,(H,45,53)(H,46,54)

smiles:
OC1=C(N=NC2=C(Cl)C=CC(Cl)=C2)C2=CC=CC=C2C=C1C(=O)NC1=CC=C(NC(=O)C2=C(O)C(N=NC3=CC(Cl)=CC=C3Cl)=C3C=CC=CC3=C2)C=C1


cas: 39050-96-9
formula: C16H19N3O4S.C7H8O5S
inchikey: HBKNADYQBSYSCB-YWUHCJSESA-N
norman_susdat_id: NS00088976
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.OCOc4ccccc4S(=O)(=O)O
name:
[2S-[2a,5a,6ß(S*)]]-6-[(aminophenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid mono(hydroxymethoxybenzenesulphonate)

inchi:
InChI=1/C16H19N3O4S.C7H8O5S/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;8-5-12-6-3-1-2-4-7(6)13(9,10)11/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);1-4,8H,5H2,(H,9,10,11)


name: Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
cas: 39072-70-3
chemspiderid: 2096657
dtxsid: DTXSID1074622
formula: C22H30N4O2
inchikey: KTVATEBHFLZLCI-UHFFFAOYSA-N
norman_susdat_id: NS00001354
pubchem_cid: 2818389
smiles: O=C(NCCCCCCNC(=O)NCc1ccccc1)NCc1ccccc1
inchi:
InChI=1S/C22H30N4O2/c27-21(25-17-19-11-5-3-6-12-19)23-15-9-1-2-10-16-24-22(28)26-18-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2,(H2,23,25,27)(H2,24,26,28)


name: Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate
cas: 391-02-6
chemspiderid: 87586
dtxsid: DTXSID50192343
formula: C13H10F3N1O3
inchikey: YHUWNMJUAZJACG-UHFFFAOYSA-N
norman_susdat_id: NS00030515
pubchem_cid: 97019
smiles: CCOC(=O)c1c[nH]c2c(ccc(c2)C(F)(F)F)c1=O
inchi:
InChI=1S/C13H10F3NO3/c1-2-20-12(19)9-6-17-10-5-7(13(14,15)16)3-4-8(10)11(9)18/h3-6H,2H2,1H3,(H,17,18)


name: 8:2 Fluorotelomer sulfonic acid
cas: 39108-34-4
chemspiderid: 2284056
dtxsid: DTXSID00192353
formula: C10H5F17O3S1
inchikey: ALVYVCQIFHTIRD-UHFFFAOYSA-N
norman_susdat_id: NS00011092
pubchem_cid: 3016044
smiles: C([S](=O)(=O)O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)


name: Guanosine cyclic 3',5'-(hydrogen phosphate) 2'-(hydrogen succinate)
cas: 39118-26-8
dtxsid: DTXSID80959926
formula: C14H16N5O10P
inchikey: JXBAIDPTIVEYLH-UHFFFAOYSA-N
norman_susdat_id: NS00057272
pubchem_cid: NA
smiles: O=C(O)CCC(=O)OC1C(OC2COP(=O)(O)OC21)N3C=NC=4C(=O)NC(=NC43)N
inchi:
InChI=1/C14H16N5O10P/c15-14-17-11-8(12(23)18-14)16-4-19(11)13-10(28-7(22)2-1-6(20)21)9-5(27-13)3-26-30(24,25)29-9/h4-5,9-10,13H,1-3H2,(H,20,21)(H,24,25)(H3,15,17,18,23)


name: 8H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-8-one, 4-methoxy-
cas: 3912-57-0
chebiid: CHEBI:28780
chemspiderid: 69921
dtxsid: DTXSID40192372
formula: C18H11NO4
inchikey: MDFFNDBAEOHIDY-UHFFFAOYSA-N
norman_susdat_id: NS00113966
pubchem_cid: 77514
smiles: COC1=C2OCOC2=C2C3=CC=CC=C3C(=O)C3=NC=CC1=C23
inchi:
InChI=1S/C18H11NO4/c1-21-16-11-6-7-19-14-12(11)13(17-18(16)23-8-22-17)9-4-2-3-5-10(9)15(14)20/h2-7H,8H2,1H3


name: Tributylcyclopenta-2,4-dienylstannane
cas: 3912-86-5
dtxsid: DTXSID00192373
formula: C17H32Sn
inchikey: BMSPZMQMUAKWEP-UHFFFAOYSA-N
norman_susdat_id: NS00046256
pubchem_cid: NA
smiles: C=1C=CC(C1)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C5H5.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;/rC17H32Sn/c1-4-7-14-18(15-8-5-2,16-9-6-3)17-12-10-11-13-17/h10-13,17H,4-9,14-16H2,1-3H3


name: Pd318088
cas: 391210-00-7
dtxsid: DTXSID50437004
formula: C16H13BrF3IN2O4
inchikey: XXSSGBYXSKOLAM-QMMMGPOBSA-N
norman_susdat_id: NS00071100
pubchem_cid: 448535
smiles: O=C(NOC[C@@H](O)CO)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F
inchi:
InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1


name: PD 0325901
cas: 391210-10-9
chebiid: CHEBI:88249
dtxsid: DTXSID0044024
formula: C16H14F3IN2O4
inchikey: SUDAHWBOROXANE-SECBINFHSA-N
norman_susdat_id: NS00069616
pubchem_cid: 9826528
smiles: O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
inchi:
InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1


name: Pituxate
cas: 39123-11-0
formula: C23H27NO2
inchikey: RBGWIGCQQIJVGI-UHFFFAOYSA-N
norman_susdat_id: NS00058668
pubchem_cid: 65810
smiles: O=C(OCCN1CCCCC1)C2CC2(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C23H27NO2/c25-22(26-17-16-24-14-8-3-9-15-24)21-18-23(21,19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2


name: Trimebutine
cas: 39133-31-8
chebiid: CHEBI:94458
chemspiderid: 15008
dtxsid: DTXSID4023707
formula: C22H29N1O5
inchikey: LORDFXWUHHSAQU-UHFFFAOYNA-N
norman_susdat_id: NS00030522
pubchem_cid: NA
smiles: CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(N(C)C)c1ccccc1
inchi:
InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3/t22-/m1/s1


name: 7(S),20(R)-dihydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E)-diene-1,23-dione
cas: 39156-67-7
formula: C29H39NO5
inchikey: WIULKAASLBZREV-UHFFFAOYSA-N
norman_susdat_id: NS00057749
pubchem_cid: 3064
smiles: O=C1OC23C(=O)NC(CC=4C=CC=CC4)C3C(C(=C)C(O)C2C=CCC(C)CCCC(O)CC1)C
inchi:
InChI=1/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18-19,22-24,26-27,31,33H,3,7,9-10,13,15-17H2,1-2H3,(H,30,34)


name: N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)glycine
cas: 3916-40-3
chemspiderid: 69926
dtxsid: DTXSID60192399
formula: C12H10N2O5
inchikey: GGZCEFKSVHSZHT-UHFFFAOYSA-N
norman_susdat_id: NS00030529
pubchem_cid: 77519
smiles: OC(=O)CNC(=O)CN1C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C12H10N2O5/c15-9(13-5-10(16)17)6-14-11(18)7-3-1-2-4-8(7)12(14)19/h1-4H,5-6H2,(H,13,15)(H,16,17)


name: 2-Naphthalenecarboxamide, 1-hydroxy-N-[2-(tetradecyloxy)phenyl]-
cas: 39163-92-3
chemspiderid: 148788
dtxsid: DTXSID9068160
formula: C31H41N1O3
inchikey: PDNBNYWQDIQNLS-UHFFFAOYSA-N
norman_susdat_id: NS00030528
pubchem_cid: 170164
smiles: CCCCCCCCCCCCCCOc1c(NC(=O)c2ccc3ccccc3c2O)cccc1
inchi:
InChI=1S/C31H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-35-29-21-16-15-20-28(29)32-31(34)27-23-22-25-18-13-14-19-26(25)30(27)33/h13-16,18-23,33H,2-12,17,24H2,1H3,(H,32,34)


name: 2,2'-bi-9H-fluorene
cas: 39168-58-6
dtxsid: DTXSID10192405
formula: C26H18
inchikey: QUBGBARTKXHDBT-UHFFFAOYSA-N
norman_susdat_id: NS00057318
pubchem_cid: 12530632
smiles: C=1C=CC2=C(C1)C3=CC=C(C=C3C2)C=4C=CC=5C=6C=CC=CC6CC5C4
inchi:
InChI=1/C26H18/c1-3-7-23-19(5-1)15-21-13-17(9-11-25(21)23)18-10-12-26-22(14-18)16-20-6-2-4-8-24(20)26/h1-14H,15-16H2


name: 2-Carboxyethylbis(2-hydroxyethyl)-3-((perfluoro-1-oxooctyl)amino)propylammonium hydroxide
cas: 39186-68-0
chemspiderid: 2284064
dtxsid: DTXSID70192426
formula: C18H22F15N2O5
inchikey: QWXFQEDOSLXNLW-UHFFFAOYSA-N
norman_susdat_id: NS00019051
pubchem_cid: 3016053
smiles: [OH-].OCC[N+](CCO)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(O)=O
inchi:
InChI=1S/C18H21F15N2O5/c19-12(20,11(40)34-3-1-4-35(6-8-36,7-9-37)5-2-10(38)39)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h36-37H,1-9H2,(H-,34,38,39,40)/p+1


name: Methylperfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid
cas: 39187-47-8
chemspiderid: 125572
dtxsid: DTXSID30880418
formula: C13H3F23O5
inchikey: POFXNOHVAKKASZ-UHFFFAOYSA-N
norman_susdat_id: NS00019052
pubchem_cid: 142346
smiles: COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H3F23O5/c1-38-2(37)3(14,7(19,20)21)39-12(33,34)5(17,9(25,26)27)41-13(35,36)6(18,10(28,29)30)40-11(31,32)4(15,16)8(22,23)24/h1H3


cas: 391894-95-4
dtxsid: DTXSID50895509
formula: C26H12F42
inchikey: KNZBXTXREIVSMC-UHFFFAOYSA-N
norman_susdat_id: NS00110718
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-Dotetracontafluorohexacosane

inchi:
InChI=1S/C26H12F42/c27-7(28,9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)23(59,60)25(63,64)65)5-3-1-2-4-6-8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)24(61,62)26(66,67)68/h1-6H2

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)C(F)(F)C(F)(F)CCCCCCC(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: 3-Hydroxylidocaine
cas: 392-17-6
chebiid: CHEBI:80567
dtxsid: DTXSID20188177
formula: C14H22N2O2
inchikey: PMGUCIDDSCRAMY-UHFFFAOYSA-N
norman_susdat_id: NS00096934
smiles: CCN(CC)CC(=O)NC1=C(C=CC(=C1C)O)C
inchi:
InChI=1S/C14H22N2O2/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(17)11(14)4/h7-8,17H,5-6,9H2,1-4H3,(H,15,18)


cas: 39201-42-8
dtxsid: DTXSID4068165
formula: C25H27Cl2N2O8S2
inchikey: ULHAYPWCIHCPHI-UHFFFAOYSA-N
norman_susdat_id: NS00057894
pubchem_cid: NA
name:
Hydrogen 5-chloro-2-[3-[5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]-2-ethylprop-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C25H26Cl2N2O8S2.C6H15N.H2/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25;1-4-7(5-2)6-3;/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCN1C(OC2=CC=C(Cl)C=C21)=CC(=CC=3OC=4C=CC(Cl)=CC4[N+]3CCCS(=O)(=O)[O-])CC.N(CC)(CC)CC


name: [[1,1'-biphenyl]-4,4'-diylbis(oxy-4,1-phenylene)]bis[(2-hydroxyphenyl)] ketone
cas: 39203-98-0
dtxsid: DTXSID20192456
formula: C38H26O6
inchikey: YHYYAWNRCQDTBV-UHFFFAOYSA-N
norman_susdat_id: NS00058348
pubchem_cid: 99121535
smiles: O=C(C1=CC=C(OC=2C=CC(=CC2)C3=CC=C(OC4=CC=C(C=C4)C(=O)C=5C=CC=CC5O)C=C3)C=C1)C=6C=CC=CC6O
inchi:
InChI=1/C38H26O6/c39-35-7-3-1-5-33(35)37(41)27-13-21-31(22-14-27)43-29-17-9-25(10-18-29)26-11-19-30(20-12-26)44-32-23-15-28(16-24-32)38(42)34-6-2-4-8-36(34)40/h1-24,39-40H


name: Promestriene
cas: 39219-28-8
chemspiderid: 64767
dtxsid: DTXSID2057730
formula: C22H32O2
inchikey: IUWKNLFTJBHTSD-QIKJAYGVSA-N
norman_susdat_id: NS00030548
pubchem_cid: 71717
smiles: CCCOc1cc2c(cc1)[C@H]1CC[C@]3(C)C(CC[C@H]3[C@@H]1CC2)OC
inchi:
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1


name: Amoxydramine
cas: 3922-74-5
chemspiderid: 59059
dtxsid: DTXSID70192481
formula: C17H21N1O2
inchikey: OEQNVWKWQPTBSC-UHFFFAOYSA-N
norman_susdat_id: NS00040778
pubchem_cid: 65618
smiles: C[N+](C)([O-])CCOC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C17H21NO2/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3


name: Oleandomycin
cas: 3922-90-5
chemspiderid: 4426
dtxsid: DTXSID4023389
formula: C35H61N1O12
inchikey: RZPAKFUAFGMUPI-UHFFFAOYSA-N
norman_susdat_id: NS00006085
pubchem_cid: 4587
smiles: COC1CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)CC3(CO3)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O
inchi:
InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3


name: Imidazolidinyl urea
cas: 39236-46-9
chebiid: CHEBI:51805
chemspiderid: 35067
dtxsid: DTXSID2040151
formula: C11H16N8O8
inchikey: ZCTXEAQXZGPWFG-UHFFFAOYSA-N
norman_susdat_id: NS00002748
pubchem_cid: 38258
smiles: OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O
inchi:
InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27)


name: 2-(Perfluorododecyl)ethanol
cas: 39239-77-5
chemspiderid: 142569
dtxsid: DTXSID3068170
formula: C14H5F25O1
inchikey: QBBJBWKVSJWYQK-UHFFFAOYSA-N
norman_susdat_id: NS00010926
pubchem_cid: 162368
smiles: C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
inchi:
InChI=1S/C14H5F25O/c15-3(16,1-2-40)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h40H,1-2H2


name: Amcinafal
cas: 3924-70-7
formula: C26H35FO6
inchikey: NSZFBGIRFCHKOE-LFZVSNMSSA-N
norman_susdat_id: NS00046881
pubchem_cid: 10389615
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(CC)CC)C
inchi:
InChI=1/C26H35FO6/c1-5-24(6-2)32-21-12-18-17-8-7-15-11-16(29)9-10-22(15,3)25(17,27)19(30)13-23(18,4)26(21,33-24)20(31)14-28/h9-11,17-19,21,28,30H,5-8,12-14H2,1-4H3


name: Pyrazolam
cas: 39243-02-2
chemspiderid: 15417688
formula: C16H12Br1N5
inchikey: BGRWSFIQQPVEML-UHFFFAOYSA-N
norman_susdat_id: NS00017536
pubchem_cid: 12562545
smiles: CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=N4
inchi:
InChI=1S/C16H12BrN5/c1-10-20-21-15-9-19-16(13-4-2-3-7-18-13)12-8-11(17)5-6-14(12)22(10)15/h2-8H,9H2,1H3


name: 4-cinnamyl-1-[(4-chlorophenyl)benzyl]piperazine dihydrochloride
cas: 39245-23-3
formula: C26H27ClN2.2ClH
inchikey: GBRNRSODYYXBMH-SWSRPJROSA-N
norman_susdat_id: NS00089299
smiles: Cl.Cl.Clc1ccc(cc1)c2ccccc2CN3CCN(C\C=C\c4ccccc4)CC3
inchi:
InChI=1/C26H27ClN2.2ClH/c27-25-14-12-23(13-15-25)26-11-5-4-10-24(26)21-29-19-17-28(18-20-29)16-6-9-22-7-2-1-3-8-22;;/h1-15H,16-21H2;2*1H


name: Aluminium(3+) 2-[(2,3-dimethylphenyl)amino]benzoate
cas: 39250-26-5
formula: C15H15NO2.1/3Al
inchikey: SQKMCUVJZBDQDL-UHFFFAOYSA-K
norman_susdat_id: NS00089765
smiles: [Al+3].Cc1cccc(Nc2ccccc2C(=O)[O-])c1C.Cc3cccc(Nc4ccccc4C(=O)[O-])c3C.Cc5cccc(Nc6ccccc6C(=O)[O-])c5C
inchi:
InChI=1/3C15H15NO2.Al/c3*1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18;/h3*3-9,16H,1-2H3,(H,17,18);/q;;;+3/p-3


name: 8-Hydroxychlorpromazine
cas: 3926-67-8
chemspiderid: 18675
dtxsid: DTXSID00192510
formula: C17H19ClN2OS
inchikey: UBUDVAYGFVRZCO-UHFFFAOYSA-N
norman_susdat_id: NS00113967
pubchem_cid: 19825
smiles: CN(C)CCCN1C2=C(SC3=C1C=C(Cl)C=C3)C=CC(O)=C2
inchi:
InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-10-12(18)4-6-16(14)22-17-7-5-13(21)11-15(17)20/h4-7,10-11,21H,3,8-9H2,1-2H3


name: Withanicandrin
cas: 39262-28-7
chemspiderid: 12444955
formula: C28H36O6
inchikey: UEXBVTCXVKSQTD-PNSKYDRMSA-N
norman_susdat_id: NS00093767
pubchem_cid: 10421273
smiles:
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)C)C


name: 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione
cas: 39263-80-4
dtxsid: DTXSID80351062
formula: C12H15N3S
inchikey: YOVKZKLGVGKTHH-UHFFFAOYSA-N
norman_susdat_id: NS00096828
smiles: C1CCC2(C1)NC(=S)N(N2)C3=CC=CC=C3
inchi:
InChI=1S/C12H15N3S/c16-11-13-12(8-4-5-9-12)14-15(11)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,13,16)


name: Dibutyl 2,2'-dithiobisbenzoate
cas: 39264-02-3
chemspiderid: 21230183
dtxsid: DTXSID00192515
formula: C22H26O4S2
inchikey: DYLHXXARSCWPOJ-UHFFFAOYSA-N
norman_susdat_id: NS00030556
pubchem_cid: 56842806
smiles: CCCCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCCC
inchi:
InChI=1S/C22H26O4S2/c1-3-5-15-25-21(23)17-11-7-9-13-19(17)27-28-20-14-10-8-12-18(20)22(24)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3


name: Dimethyl bis((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)malonate
cas: 39266-67-6
chemspiderid: 2284077
dtxsid: DTXSID20192517
formula: C35H52O6
inchikey: DACLFYHENIWLCN-UHFFFAOYSA-N
norman_susdat_id: NS00030557
pubchem_cid: 3016067
smiles: COC(=O)C(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)C(=O)OC
inchi:
InChI=1S/C35H52O6/c1-31(2,3)23-15-21(16-24(27(23)36)32(4,5)6)19-35(29(38)40-13,30(39)41-14)20-22-17-25(33(7,8)9)28(37)26(18-22)34(10,11)12/h15-18,36-37H,19-20H2,1-14H3


name: Tricyclo(3.3.1.1(sup 3,7))decane-1,3-dicarboxylic acid
cas: 39269-10-8
chemspiderid: 57911
dtxsid: DTXSID40192519
formula: C12H16O4
inchikey: PAVQGHWQOQZQEH-UHFFFAOYSA-N
norman_susdat_id: NS00030559
pubchem_cid: 64339
smiles: [O-]C(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)[O-]
inchi:
InChI=1S/C12H16O4/c13-9(14)11-2-7-1-8(4-11)5-12(3-7,6-11)10(15)16/h7-8H,1-6H2,(H,13,14)(H,15,16)/t7-,8+,11+,12-


name: 4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium perchlorate
cas: 39273-52-4
formula: C18H17O3.ClO4
inchikey: YNTXOKYWPOVQOD-UHFFFAOYSA-M
norman_susdat_id: NS00089343
smiles: CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C18H17O3.ClHO4/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;2-1(3,4)5/h4-12H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1


name: Viridicatumtoxin
cas: 39277-41-3
chemspiderid: 29355821
dtxsid: DTXSID20893991
formula: C30H31NO10
inchikey: FNSQKFOXORBCCC-WBWZXODPSA-N
norman_susdat_id: NS00094937
pubchem_cid: 54686377
inchi:
InChI=1S/C30H31NO10/c1-11-6-5-7-27(2,3)28(11)9-12-16-18(13(32)8-15(41-4)21(16)28)22(34)20-17(12)23(35)29(39)10-14(33)19(26(31)38)24(36)30(29,40)25(20)37/h6,8,23,32,34-36,39-40H,5,7,9-10H2,1-4H3,(H2,31,38)/t23-,28-,29-,30+/m0/s1

smiles:
CC1=CCCC([C@@]12CC3=C4[C@@H]([C@]5(CC(=O)C(=C([C@]5(C(=O)C4=C(C6=C3C2=C(C=C6O)OC)O)O)O)C(=O)N)O)O)(C)C


name: Agent Orange
cas: 39277-47-9
dtxsid: DTXSID70895783
formula: C24H27Cl5O6
inchikey: OLAOGBRYSBMLAO-UHFFFAOYSA-N
norman_susdat_id: NS00076402
smiles: CCCCOC(=O)COC1=C(Cl)C=C(Cl)C=C1.CCCCOC(=O)COC1=C(Cl)C=C(Cl)C(Cl)=C1
inchi:
InChI=1S/C12H13Cl3O3.C12H14Cl2O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15;1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h5-6H,2-4,7H2,1H3;4-5,7H,2-3,6,8H2,1H3


name: Basic yellow 29
cas: 39279-59-9
chemspiderid: 7850906
formula: C20H26N3
inchikey: XNBDPEPVMIIATO-UHFFFAOYSA-M
norman_susdat_id: NS00021145
pubchem_cid: 9576462
smiles: [Cl-].CN1C(CN=[N+](C)C2=CC=C(C)C=C2)C(C)(C)C2=C1C=CC=C2
inchi:
InChI=1S/C20H26N3/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4/h6-13,19H,14H2,1-5H3/q+1/b23-21-/t19-/m0/s1


name: Tristrontium diarsenide
cas: 39297-24-0
formula: As2Sr3
inchi: InChI=1/6As2H3.3Sr/c6*1-2;;;/h6*1H,2H2;;;/q6*-1;3*+2
inchikey: LUAILQHGMOCNKH-UHFFFAOYSA-N
norman_susdat_id: NS00089784
smiles:
[Sr+2].[Sr+2].[Sr+2].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-].[AsH]=[AsH2-]


name: (R)-1-(3-hydroxy-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide
cas: 3930-13-0
dtxsid: DTXSID30192543
formula: C38H76NO8P
inchikey: QSBINWBNXWAVAK-UHFFFAOYSA-N
norman_susdat_id: NS00046323
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C38H76NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)


name: Streptonigrin
cas: 3930-19-6
chebiid: CHEBI:9287
chemspiderid: 10207545
formula: C25H22N4O8
inchikey: PVYJZLYGTZKPJE-UHFFFAOYSA-N
norman_susdat_id: NS00011869
pubchem_cid: NA
smiles: Cc1c(c(c(nc1C(=O)O)c2ccc3c(n2)C(=O)C(=C(C3=O)OC)N)N)c4ccc(c(c4O)OC)OC
inchi:
InChI=1S/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34)


name: 3-Hydroxychlorpromazine
cas: 3930-47-0
chemspiderid: 18678
dtxsid: DTXSID90192544
formula: C17H19ClN2OS
inchikey: SOUCXKDIHOVGPW-UHFFFAOYSA-N
norman_susdat_id: NS00113917
pubchem_cid: 19828
smiles: CN(C)CCCN1C2=CC=CC=C2SC2=CC(O)=C(Cl)C=C12
inchi:
InChI=1S/C17H19ClN2OS/c1-19(2)8-5-9-20-13-6-3-4-7-16(13)22-17-11-15(21)12(18)10-14(17)20/h3-4,6-7,10-11,21H,5,8-9H2,1-2H3


name: Dinocap (II)
cas: 39300-45-3
chemspiderid: 32700173
dtxsid: DTXSID3040352
formula: C18H24N2O6
inchikey: XDKCUKXYCDHHCI-RMKNXTFCSA-N
norman_susdat_id: NS00073911
pubchem_cid: 18772432
smiles: CCCCC(c1c(OC(/C=C/C)=O)c([N+]([O-])=O)cc([N+]([O-])=O)c1)CCC
inchi:
InChI=1S/C18H24N2O6/c1-4-7-10-13(8-5-2)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-6-3/h6,9,11-13H,4-5,7-8,10H2,1-3H3/b9-6+


name: alpha-D-Glucopyranoside, beta-D-fructofuranosyl, hexadecanoate
cas: 39300-95-3
chemspiderid: 20003730
dtxsid: DTXSID10192546
formula: C28H52O12
inchikey: ODCGMAWJSFNWJQ-ZRVLSRDKSA-N
norman_susdat_id: NS00022142
pubchem_cid: 21140494
smiles: CCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC1(CO)OC1OC(CO)C(O)C(O)C1O
inchi:
InChI=1S/C28H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(32)38-26-23(34)20(17-30)39-28(26,18-31)40-27-25(36)24(35)22(33)19(16-29)37-27/h19-20,22-27,29-31,33-36H,2-18H2,1H3/t19-,20-,22+,23+,24+,25+,26-,27+,28+/m0/s1


name: Tris(2-(perfluorododecyl)ethyl)phosphate
cas: 393098-42-5
dtxsid: DTXSID50893500
formula: C42H12F75O4P
inchikey: JKDZBIHMORMGRL-UHFFFAOYSA-N
norman_susdat_id: NS00110681
inchi:
InChI=1S/C42H12F75O4P/c43-7(44,10(49,50)13(55,56)16(61,62)19(67,68)22(73,74)25(79,80)28(85,86)31(91,92)34(97,98)37(103,104)40(109,110)111)1-4-119-122(118,120-5-2-8(45,46)11(51,52)14(57,58)17(63,64)20(69,70)23(75,76)26(81,82)29(87,88)32(93,94)35(99,100)38(105,106)41(112,113)114)121-6-3-9(47,48)12(53,54)15(59,60)18(65,66)21(71,72)24(77,78)27(83,84)30(89,90)33(95,96)36(101,102)39(107,108)42(115,116)117/h1-6H2

smiles:
[H]C([H])(OP(=O)(OC([H])([H])C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC([H])([H])C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Tris(2-(perfluorotetradecanyl)ethyl)phosphate
cas: 393098-44-7
dtxsid: DTXSID70893502
formula: C48H12F87O4P
inchikey: KFHDQTKUUBFHAY-UHFFFAOYSA-N
norman_susdat_id: NS00111372
inchi:
InChI=1S/C48H12F87O4P/c49-7(50,10(55,56)13(61,62)16(67,68)19(73,74)22(79,80)25(85,86)28(91,92)31(97,98)34(103,104)37(109,110)40(115,116)43(121,122)46(127,128)129)1-4-137-140(136,138-5-2-8(51,52)11(57,58)14(63,64)17(69,70)20(75,76)23(81,82)26(87,88)29(93,94)32(99,100)35(105,106)38(111,112)41(117,118)44(123,124)47(130,131)132)139-6-3-9(53,54)12(59,60)15(65,66)18(71,72)21(77,78)24(83,84)27(89,90)30(95,96)33(101,102)36(107,108)39(113,114)42(119,120)45(125,126)48(133,134)135/h1-6H2

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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 393101-41-2
dtxsid: DTXSID40870345
formula: C44H55NO16
inchikey: XIVMHSNIQAICTR-UQYHODNASA-N
norman_susdat_id: NS00073501
pubchem_cid: 6918589
name:
4-(acetyloxy)-15-[(3-{[(tert-butoxy)carbonyl]amino}-3-(furan-2-yl)-2-hydroxypropanoyl)oxy]-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(propanoyloxy)-6-oxatetracyclo[11.3.1.0³,¹?.0?,?]heptadec-13-en-2-yl benzoate

inchi:
InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1

smiles:
CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](O)C(=O)[C@]12C)C3(C)C


name: 6a,9-difluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate
cas: 3932-49-8
dtxsid: DTXSID00960039
formula: C26H34F2O7
inchikey: LYCTYBOMOJMCRM-UHFFFAOYSA-N
norman_susdat_id: NS00046324
pubchem_cid: NA
smiles: O=C(OCC(=O)C12OC(OC2CC3C4CC(F)C5=CC(=O)CCC5(C)C4(F)C(O)CC31C)(C)C)C
inchi:
InChI=1/C26H34F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h8,15-16,18-19,21,31H,6-7,9-12H2,1-5H3


name: Phosphoric acid, dodecyl ester, potassium salt
cas: 39322-78-6
dtxsid: DTXSID8029361
formula: C12H26KO4P
inchikey: MJHORFXTDAGQEU-UHFFFAOYSA-M
norman_susdat_id: NS00074445
smiles: [K+].CCCCCCCCCCCCOP(O)([O-])=O
inchi:
InChI=1S/C12H27O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H2,13,14,15);/q;+1/p-1


name: 1H,1H-Perfluorooctyl methacrylate
cas: 3934-23-4
chemspiderid: 69939
dtxsid: DTXSID5063235
formula: C12H7F15O2
inchikey: RUEKTOVLVIXOHT-UHFFFAOYSA-N
norman_susdat_id: NS00010992
pubchem_cid: 77532
smiles: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C)=C
inchi:
InChI=1S/C12H7F15O2/c1-4(2)5(28)29-3-6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1,3H2,2H3


name: DISODIUM LAURETH-6 SULFOSUCCINATE
cas: 39354-45-5
chemspiderid: 56630
formula: C18H34O8S1
inchikey: XJEHKNULBCOALB-UHFFFAOYSA-N
norman_susdat_id: NS00013620
pubchem_cid: 62905
smiles: [Na+].[Na+].CCCCCCCCCCCCOCCOC(=O)CC(C([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C18H34O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-17(19)15-16(18(20)21)27(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2


name: Spla2inhibitor
cas: 393569-31-8
formula: C31H37NO4
inchikey: KWLUIYFCMHKLKY-NDEPHWFRSA-N
norman_susdat_id: NS00069681
pubchem_cid: 446400
smiles: O=C(O)CC[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1
inchi:
InChI=1S/C31H37NO4/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)23-26-17-20-29(21-18-26)36-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1


name: Benomyl
cas: 39357-40-9
chebiid: CHEBI:3015
chemspiderid: 26771
dtxsid: DTXSID5023900
formula: C14H18N4O3
inchikey: RIOXQFHNBCKOKP-UHFFFAOYSA-N
norman_susdat_id: NS00000092
pubchem_cid: 28780
smiles: CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC
inchi:
InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)


cas: 393582-46-2
dtxsid: DTXSID70882734
norman_susdat_id: NS00111323
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with methyloxirane polymer with oxirane mono-2-propenoate, tert- Bu 2-ethylhexaneperoxoate-initiated


cas: 393582-59-7
dtxsid: DTXSID70882693
norman_susdat_id: NS00111319
name:
2-Propenoic acid, octahydro-4,7-methano-1H-indenyl ester, polymers with .gamma.-.omega.-perfluoro-C6-22-alkyl acrylate and polyethylene glycol methacrylate Me ether, di-Me 2,2'-azobis[2-methylpropanoate]-initiated


name: Dexamethazone metasulfobenzoate sodium
cas: 3936-02-5
chebiid: CHEBI:32132
chemspiderid: 96713
dtxsid: DTXSID5046722
formula: C29H33F1O9S1
inchikey: RPBJOYICBFNIMN-RDWMNNCQSA-M
norman_susdat_id: NS00021146
pubchem_cid: 23672582
inchi:
InChI=1S/C29H33FO9S/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38)/t16-,21-,22-,23+,26-,27+,28-,29-/m1/s1

smiles:
[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)[O-]


cas: 39363-31-0
dtxsid: DTXSID60960050
formula: C26H21N5O12S3
inchikey: FPWJOCBLKPOSNT-XEQFVGIFSA-K
norman_susdat_id: NS00059412
pubchem_cid: NA
name:
Trisodium 2-[2-(4-nitro-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]phenyl]-NNO-azoxy]benzenesulphonate

inchi:
InChI=1/C26H19N5O12S3.3Na/c32-30(29-21-7-5-19(6-8-21)27-28-20-9-13-24(14-10-20)44(35,36)37)22-11-3-17(25(15-22)45(38,39)40)1-2-18-4-12-23(31(33)34)16-26(18)46(41,42)43;;;/h1-16H,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(C=C2S(=O)(=O)[O-])[N+]([O-])=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C(=C1)S(=O)(=O)[O-]


name: Candicidin D
cas: 39372-30-0
chebiid: CHEBI:3349
chemspiderid: 8255412
formula: C59H84N2O18
inchikey: OPGSFDUODIJJGF-JBUZINEHSA-N
norman_susdat_id: NS00011770
pubchem_cid: 10079874
inchi:
InChI=1S/C59H84N2O18/c1-35-18-15-13-11-9-7-5-6-8-10-12-14-16-21-47(78-59-56(74)54(61)55(73)38(4)77-59)33-51(71)53(58(75)76)50(70)31-46(67)30-45(66)29-44(65)28-43(64)27-41(62)19-17-20-42(63)32-52(72)79-57(35)37(3)26-36(2)48(68)34-49(69)39-22-24-40(60)25-23-39/h5-16,18,21-25,35-38,43-45,47-48,50-51,53-57,59,64-66,68,70-71,73-74H,17,19-20,26-34,60-61H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,18-15+,21-16+/t35?,36?,37?,38-,43?,44?,45?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59?/m1/s1

smiles:
C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC2CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CC(C)C(CC(=O)C3=CC=C(C=C3)N)O)O)O)O)O)C(=O)O)O)O)N)O


name: 1-Decanol, 2-hexyl-, phosphate, potassium salt
cas: 39373-89-2
dtxsid: DTXSID20960056
formula: C16H35O4P
inchikey: PUVLZCCRRBYBKL-UHFFFAOYSA-L
norman_susdat_id: NS00057952
pubchem_cid: 11809448
smiles: [K+].O=P([O-])([O-])OCC(CCCCCC)CCCCCCCC
inchi:
InChI=1/C16H35O4P.K/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,(H2,17,18,19);/q;+1/p-2


name: 1-Octanol, 5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)-, phosphate, potassium salt
cas: 39373-95-0
dtxsid: DTXSID80960057
formula: C18H39O4P
inchikey: OWNDGSXQJWIAAR-UHFFFAOYSA-L
norman_susdat_id: NS00058412
pubchem_cid: 23311939
smiles: [K+].O=P([O-])([O-])OCC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C
inchi:
InChI=1/C18H39O4P.K/c1-14(11-17(3,4)5)9-10-16(13-22-23(19,20)21)15(2)12-18(6,7)8;/h14-16H,9-13H2,1-8H3,(H2,19,20,21);/q;+1/p-2


name: Ranitidine met 10 -477
cas: 393827-71-9
chemspiderid: NA
formula: C18H29Cl1N4O9S1
inchikey: ALGYZRABXFJKKD-UHFFFAOYSA-N
norman_susdat_id: NS00000881
pubchem_cid: NA
smiles: S(Cc1oc(CN(C2C(C(C(C(O2)C(O)=O)O)O)O)(C)(Cl)C)cc1)CCNC(N)=CN(=O)=O
inchi:
InChI=1S/C18H29ClN4O9S/c1-23(2,19,17-15(26)13(24)14(25)16(32-17)18(27)28)8-10-3-4-11(31-10)9-33-6-5-21-12(20)7-22(29)30/h3-4,7,13-17,21,24-26H,5-6,8-9,20H2,1-2H3,(H,27,28)


cas: 39423-51-3
dtxsid: DTXSID80895794
norman_susdat_id: NS00075855
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.-hydro-.omega.-(2-aminomethylethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)


cas: 3943-82-6
dtxsid: DTXSID0063238
formula: C25H27ClN2
inchikey: MDOWYKFAQVNQJR-UHFFFAOYSA-N
norman_susdat_id: NS00048693
pubchem_cid: 107482
smiles: Cl.ClC=1C=CC=CC1C(=C2C=CC(=NCC)C(=C2)C)C3=CC=C(NCC)C(=C3)C
name:
4-[(2-chlorophenyl)[4-(ethylimino)-3-methylcyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-o-toluidine monohydrochloride

inchi:
InChI=1/C25H27ClN2.ClH/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;/h7-16,27H,5-6H2,1-4H3;1H


name: Anhydroglucitol decanoate
cas: 39438-11-4
formula: C16H30O6
inchikey: FLANHZFMAUBCRU-UHFFFAOYSA-N
norman_susdat_id: NS00057954
pubchem_cid: 76871793
smiles: O=C(OC1COC(CO)C(O)C1O)CCCCCCCCC
inchi:
InChI=1/C16H30O6/c1-2-3-4-5-6-7-8-9-14(18)22-13-11-21-12(10-17)15(19)16(13)20/h12-13,15-17,19-20H,2-11H2,1H3


name: Qb-9062
cas: 3946-01-8
formula: C9H17NO6
inchikey: ZEVOCXOZYFLVKN-JGKVKWKGSA-N
norman_susdat_id: NS00069964
pubchem_cid: 445750
smiles: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
inchi:
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1


