# cl_id

cas: 72927-73-2
dtxsid: DTXSID9072650
formula: C47H29Cl4N7O5
inchikey: KBJVUVWQWIQQPG-UHFFFAOYSA-N
norman_susdat_id: NS00061219
pubchem_cid: NA
name:
4-[(2,5-dichlorophenyl)azo]-N-[4-[[4-[[[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]benzoyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C47H29Cl4N7O5/c48-28-11-19-37(50)39(23-28)55-57-41-33-7-3-1-5-26(33)21-35(43(41)59)46(62)53-30-13-9-25(10-14-30)45(61)52-31-15-17-32(18-16-31)54-47(63)36-22-27-6-2-4-8-34(27)42(44(36)60)58-56-40-24-29(49)12-20-38(40)51/h1-24,59-60H,(H,52,61)(H,53,62)(H,54,63)

smiles:
O=C(NC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O)C5=CC=C(C=C5)NC(=O)C6=CC=7C=CC=CC7C(N=NC8=CC(Cl)=CC=C8Cl)=C6O


cas: 72927-90-3
dtxsid: DTXSID10890257
formula: C25H22ClNO6
inchikey: GWASQUMCDHWYNG-UHFFFAOYSA-L
norman_susdat_id: NS00060509
pubchem_cid: 175275
smiles: [Na+].[Na+].O=C([O-])C1=CC(C=C(C1=O)C)=C(C=2C=C(C(=O)[O-])C(O)=C(C2)C)C3=CC=C(C=C3Cl)N(C)C
name:
Disodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(dimethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoate

inchi:
InChI=1/C25H22ClNO6.2Na/c1-12-7-14(9-18(22(12)28)24(30)31)21(17-6-5-16(27(3)4)11-20(17)26)15-8-13(2)23(29)19(10-15)25(32)33;;/h5-11,28H,1-4H3,(H,30,31)(H,32,33);;/q;2*+1/p-2


cas: 72927-91-4
dtxsid: DTXSID70890258
formula: C22H18ClN7O10S3
inchikey: FIFKTDSXJNRBOT-UHFFFAOYSA-K
norman_susdat_id: NS00060510
pubchem_cid: 175276
name:
Trisodium 2-[[4-chloro-6-[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate

inchi:
InChI=1/C22H18ClN7O10S3.3Na/c1-40-18-10-13(30-29-12-3-2-4-14(9-12)41(31,32)33)5-7-16(18)24-21-26-20(23)27-22(28-21)25-17-11-15(42(34,35)36)6-8-19(17)43(37,38)39;;;/h2-11H,1H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H2,24,25,26,27,28);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(NC3=NC(Cl)=NC(=N3)NC4=CC(=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C2)C1


cas: 72927-92-5
dtxsid: DTXSID30890259
formula: C24H22ClN7O11S3
inchikey: KXXIXSOUNZEYLW-UHFFFAOYSA-K
norman_susdat_id: NS00060511
pubchem_cid: 175279
name:
Trisodium 5-[[4-chloro-6-(morpholino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C24H22ClN7O11S3.3Na/c1-12-2-3-15(17(8-12)45(37,38)39)30-31-20-18(46(40,41)42)10-13-9-14(44(34,35)36)11-16(19(13)21(20)33)26-23-27-22(25)28-24(29-23)32-4-6-43-7-5-32;;;/h2-3,8-11,33H,4-7H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,27,28,29);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=C(C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])C)=C(O)C2C(=C1)NC4=NC(Cl)=NC(=N4)N5CCOCC5)S(=O)(=O)[O-]


cas: 72927-93-6
dtxsid: DTXSID40890260
formula: C32H26ClN7O11S3
inchikey: TYYJEJVLHBJPIZ-UHFFFAOYSA-K
norman_susdat_id: NS00060604
pubchem_cid: NA
name:
Trisodium 1-amino-4-[[3-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(36-20-12-21(53(46,47)48)24(34)23-22(20)27(41)18-6-4-5-7-19(18)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)35-16-8-10-17(11-9-16)52(43,44)45;;;/h4-12,36H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,35,37,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC=5N=C(Cl)N=C(N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])=C(C(=C4C)S(=O)(=O)[O-])C)C)=C13)S(=O)(=O)[O-]


name: Benzenamine, 4-[(2,6-dichloro-4-nitrophenyl)azo]-N-(4-nitrophenyl)-
cas: 72927-94-7
chemspiderid: 145630
dtxsid: DTXSID4072657
formula: C18H11Cl2N5O4
inchikey: HGNCUZYSZRALIC-UHFFFAOYSA-N
norman_susdat_id: NS00020344
pubchem_cid: 166359
smiles: [O-][N+](=O)c1ccc(Nc2ccc(cc2)N=Nc2c(Cl)cc(cc2Cl)[N+](=O)[O-])cc1
inchi:
InChI=1S/C18H11Cl2N5O4/c19-16-9-15(25(28)29)10-17(20)18(16)23-22-13-3-1-11(2-4-13)21-12-5-7-14(8-6-12)24(26)27/h1-10,21H/b23-22+


name: Lithium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,4,6-trimethylphenyl)amino]anthracene-2-sulphonate
cas: 72927-96-9
formula: C23H20N2O5S.Li
inchikey: KWYNCJRHNWRKGG-UHFFFAOYSA-M
norman_susdat_id: NS00090759
smiles: [Li+].Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c1
inchi:
InChI=1/C23H20N2O5S.Li/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27;/h4-10,25H,24H2,1-3H3,(H,28,29,30);/q;+1/p-1


cas: 72927-98-1
formula: C40H32N10O12S2
inchikey: GKOWVKUBQLNSJG-UHFFFAOYSA-L
norman_susdat_id: NS00059988
pubchem_cid: NA
name:
Disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-morpholino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C40H32N10O12S2.2Na.H2/c41-34-31(64(59,60)61)19-28(32-33(34)36(53)25-4-2-1-3-24(25)35(32)52)42-22-9-11-27(30(18-22)63(56,57)58)44-39-45-38(46-40(47-39)50-13-15-62-16-14-50)43-20-5-7-21(8-6-20)48-49-23-10-12-29(51)26(17-23)37(54)55;;;/h1-12,17-19,42,51H,13-16,41H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H2,43,44,45,46,47);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC=3N=C(N=C(N3)N4CCOCC4)NC5=CC=C(C=C5S(=O)(=O)[O-])NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)[O-])=CC=C1O


name: 4-propylphenyl trans-4-(4-propylcyclohexyl)benzoate
cas: 72928-02-0
dtxsid: DTXSID40888208
formula: C25H32O2
inchikey: TVAPGSSMRUFIFN-UHFFFAOYSA-N
norman_susdat_id: NS00059989
pubchem_cid: 175287
smiles: O=C(OC1=CC=C(C=C1)CCC)C2=CC=C(C=C2)C3CCC(CCC)CC3
inchi:
InChI=1/C25H32O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h9-10,13-19,21H,3-8,11-12H2,1-2H3


name: 2-Naphthalenecarboxamide, 4-[(4-chloro-2-methylphenyl)azo]-N-(2,4-dimethylphenyl)-3-hydroxy-
cas: 72928-10-0
chemspiderid: 7863582
dtxsid: DTXSID4072659
formula: C26H22Cl1N3O2
inchikey: AKIQNEPAISLMBH-UHFFFAOYSA-N
norman_susdat_id: NS00037435
pubchem_cid: NA
smiles: Cc1cc(C)c(NC(=O)c2cc3ccccc3c(N=Nc3c(C)cc(Cl)cc3)c2O)cc1
inchi:
InChI=1S/C26H22ClN3O2/c1-15-8-10-22(16(2)12-15)28-26(32)21-14-18-6-4-5-7-20(18)24(25(21)31)30-29-23-11-9-19(27)13-17(23)3/h4-14,31H,1-3H3,(H,28,32)/b30-29+


name: Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
cas: 72928-16-6
chemspiderid: 152769
dtxsid: DTXSID3072660
formula: C18H17Cl2N5O3
inchikey: FTGDWORKLZCBFJ-UHFFFAOYSA-N
norman_susdat_id: NS00037436
pubchem_cid: 175295
smiles: Cc1c(ccc(c1)N(CCO)CCC#N)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C18H17Cl2N5O3/c1-12-9-13(24(7-8-26)6-2-5-21)3-4-17(12)22-23-18-15(19)10-14(25(27)28)11-16(18)20/h3-4,9-11,26H,2,6-8H2,1H3


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(undecyloxy)-
cas: 72928-29-1
chemspiderid: 152775
dtxsid: DTXSID8072663
formula: C24H31N1O1
inchikey: BWRJKFPLVHZYLY-UHFFFAOYSA-N
norman_susdat_id: NS00037437
pubchem_cid: 175302
smiles: CCCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C24H31NO/c1-2-3-4-5-6-7-8-9-10-19-26-24-17-15-23(16-18-24)22-13-11-21(20-25)12-14-22/h11-18H,2-10,19H2,1H3


name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-heptyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester
cas: 72928-30-4
chemspiderid: 152776
dtxsid: DTXSID3072664
formula: C33H31N1O2
inchikey: YTSKNVPWUIOPIL-UHFFFAOYSA-N
norman_susdat_id: NS00037438
pubchem_cid: 175303
smiles: CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C33H31NO2/c1-2-3-4-5-6-7-25-8-12-27(13-9-25)29-16-18-31(19-17-29)33(35)36-32-22-20-30(21-23-32)28-14-10-26(24-34)11-15-28/h8-23H,2-7H2,1H3


name: 1,5-dimethyl-1-vinyl-4-hexenyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
cas: 72928-45-1
dtxsid: DTXSID00868203
formula: C32H41NO2
inchikey: FFYKJGASIBFVHC-UHFFFAOYSA-N
norman_susdat_id: NS00060018
pubchem_cid: 166369
smiles: O=C(OC(C=C)(C)CCC=C(C)C)C=1C=CC=CC1N=CC(=CC=2C=CC=CC2)CCCCCC
inchi:
InChI=1/C32H41NO2/c1-6-8-9-11-20-28(24-27-18-12-10-13-19-27)25-33-30-22-15-14-21-29(30)31(34)35-32(5,7-2)23-16-17-26(3)4/h7,10,12-15,17-19,21-22,24-25H,2,6,8-9,11,16,20,23H2,1,3-5H3


name: 3-methylbutyl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
cas: 72928-46-2
dtxsid: DTXSID60868204
formula: C27H35NO2
inchikey: LJVJMEOGMBKLKV-UHFFFAOYSA-N
norman_susdat_id: NS00060651
pubchem_cid: 166370
smiles: O=C(OCCC(C)C)C=1C=CC=CC1N=CC(=CC=2C=CC=CC2)CCCCCC
inchi:
InChI=1/C27H35NO2/c1-4-5-6-8-15-24(20-23-13-9-7-10-14-23)21-28-26-17-12-11-16-25(26)27(29)30-19-18-22(2)3/h7,9-14,16-17,20-22H,4-6,8,15,18-19H2,1-3H3


name: p-cyanophenyl trans-p-(4-pentylcyclohexyl)benzoate
cas: 72928-55-3
dtxsid: DTXSID80888323
formula: C25H29NO2
inchikey: IPGHZWGLMSBNAV-UHFFFAOYSA-N
norman_susdat_id: NS00060020
pubchem_cid: 175308
smiles: N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCCCC)CC3)C=C1
inchi:
InChI=1/C25H29NO2/c1-2-3-4-5-19-6-10-21(11-7-19)22-12-14-23(15-13-22)25(27)28-24-16-8-20(18-26)9-17-24/h8-9,12-17,19,21H,2-7,10-11H2,1H3


name: N-((5-(Dimethylamino)-1-naphthyl)sulphonyl)-L-histidine
cas: 7293-13-2
chemspiderid: 94586
dtxsid: DTXSID50223222
formula: C18H20N4O4S1
inchikey: DIJBMZDENKBEIQ-HNNXBMFYSA-N
norman_susdat_id: NS00037441
pubchem_cid: 111287
smiles: CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
inchi:
InChI=1S/C18H20N4O4S/c1-22(2)16-7-3-6-14-13(16)5-4-8-17(14)27(25,26)21-15(18(23)24)9-12-10-19-11-20-12/h3-8,10-11,15,21H,9H2,1-2H3,(H,19,20)(H,23,24)/t15-/m0/s1


cas: 72931-04-5
dtxsid: DTXSID90993710
formula: C27H23NO3S
inchikey: NCSJDLQJBBLSAY-UHFFFAOYSA-N
norman_susdat_id: NS00060677
pubchem_cid: 56843744
smiles: O=C1OC2(C=3SC=4C=CC(=CC4C3OC5=CC(=CC=C52)N(CC)CC)C)C=6C=CC=CC16
name:
3-(diethylamino)-7-methylspiro[11H-[1]benzothieno[3,2-b][1]benzopyran-11,1'(3'H)-isobenzofuran]-3'-one

inchi:
InChI=1/C27H23NO3S/c1-4-28(5-2)17-11-12-21-22(15-17)30-24-19-14-16(3)10-13-23(19)32-25(24)27(21)20-9-7-6-8-18(20)26(29)31-27/h6-15H,4-5H2,1-3H3


cas: 72939-54-9
dtxsid: DTXSID90890316
formula: C58H42N12O18S4
inchikey: NGHXLSGIWRHBRS-UHFFFAOYSA-L
norman_susdat_id: NS00060585
pubchem_cid: 16131299
name:
Disodium dihydrogen 4,4'-bis[[5-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-dicarboxylate

inchi:
InChI=1/C58H42N12O18S4.2Na.2H2/c59-89(79,80)33-13-21-47(71)45(25-33)65-67-51-37-27-49(91(83,84)85)53(55(73)35(37)15-19-43(51)61-31-7-3-1-4-8-31)69-63-41-17-11-29(23-39(41)57(75)76)30-12-18-42(40(24-30)58(77)78)64-70-54-50(92(86,87)88)28-38-36(56(54)74)16-20-44(62-32-9-5-2-6-10-32)52(38)68-66-46-26-34(90(60,81)82)14-22-48(46)72;;;;/h1-28,61-62,71-74H,(H,75,76)(H,77,78)(H2,59,79,80)(H2,60,81,82)(H,83,84,85)(H,86,87,88);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC=2C(O)=C3C=CC(NC=4C=CC=CC4)=C(N=NC5=CC(=CC=C5O)S(=O)(=O)N)C3=CC2S(=O)(=O)[O-])C6=CC=C(N=NC=7C(O)=C8C=CC(NC=9C=CC=CC9)=C(N=NC%10=CC(=CC=C%10O)S(=O)(=O)N)C8=CC7S(=O)(=O)[O-])C(=C6)C(=O)[O-]


cas: 72939-62-9
formula: C48H92O6
norman_susdat_id: NS00101765
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1), didodecanoate octadecanoate


cas: 72939-67-4
chemspiderid: 152797
dtxsid: DTXSID6072681
formula: C20H24Cl1N7O4
inchikey: VFCJEFOSAGTGOU-UHFFFAOYSA-N
norman_susdat_id: NS00037444
pubchem_cid: 175335
smiles: Cc1c(N=Nc2c(Cl)cc(cc2)[N+](=O)[O-])c(N)nc(NCCCOCCCCO)c1C#N
name:
3-Pyridinecarbonitrile, 6-amino-5-[(2-chloro-4-nitrophenyl)azo]-2-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-

inchi:
InChI=1S/C20H24ClN7O4/c1-13-15(12-22)20(24-7-4-10-32-9-3-2-8-29)25-19(23)18(13)27-26-17-6-5-14(28(30)31)11-16(17)21/h5-6,11,29H,2-4,7-10H2,1H3,(H3,23,24,25)/b27-26+


name: 1-amino-2-[2-(dibromophenoxy)ethoxy]-4-hydroxyanthraquinone
cas: 72953-51-6
dtxsid: DTXSID60993722
formula: C22H15Br2NO5
inchikey: FCALKKFJQIDADI-UHFFFAOYSA-N
norman_susdat_id: NS00060586
pubchem_cid: 175338
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OCCOC=4C=CC=C(Br)C4Br)=CC(O)=C13
inchi:
InChI=1/C22H15Br2NO5/c23-13-6-3-7-15(19(13)24)29-8-9-30-16-10-14(26)17-18(20(16)25)22(28)12-5-2-1-4-11(12)21(17)27/h1-7,10,26H,8-9,25H2


name: 1-amino-2-[2-(bromophenoxy)ethoxy]-4-hydroxyanthraquinone
cas: 72953-52-7
dtxsid: DTXSID20993723
formula: C22H16BrNO5
inchikey: VEWQTMPECVHJAI-UHFFFAOYSA-N
norman_susdat_id: NS00060587
pubchem_cid: 175339
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OCCOC=4C=CC=CC4Br)=CC(O)=C13
inchi:
InChI=1/C22H16BrNO5/c23-14-7-3-4-8-16(14)28-9-10-29-17-11-15(25)18-19(20(17)24)22(27)13-6-2-1-5-12(13)21(18)26/h1-8,11,25H,9-10,24H2


name: Diisobutyl (4-methoxybenzylidene)malonate
cas: 72955-42-1
dtxsid: DTXSID40993725
formula: C19H26O5
inchikey: AAUIXMHRSOGWSE-UHFFFAOYSA-N
norman_susdat_id: NS00060067
pubchem_cid: 3018385
smiles: O=C(OCC(C)C)C(=CC1=CC=C(OC)C=C1)C(=O)OCC(C)C
inchi:
InChI=1/C19H26O5/c1-13(2)11-23-18(20)17(19(21)24-12-14(3)4)10-15-6-8-16(22-5)9-7-15/h6-10,13-14H,11-12H2,1-5H3


name: 1-{benzyl[2-(2-methoxyphenoxy)ethyl]amino}-3-(9H-carbazol-4-yloxy)propan-2-ol
cas: 72955-94-3
chemspiderid: 9213538
formula: C31H32N2O4
inchikey: FFZGDNBZNMTOCK-UHFFFAOYSA-N
norman_susdat_id: NS00009096
pubchem_cid: 11038364
smiles: COc1ccccc1OCCN(CC(O)COc1cccc2[nH]c3ccccc3c12)Cc1ccccc1
inchi:
InChI=1S/C31H32N2O4/c1-35-28-15-7-8-16-29(28)36-19-18-33(20-23-10-3-2-4-11-23)21-24(34)22-37-30-17-9-14-27-31(30)25-12-5-6-13-26(25)32-27/h2-17,24,32,34H,18-22H2,1H3


name: Carvedilol
cas: 72956-09-3
chebiid: CHEBI:3441
chemspiderid: 2487
dtxsid: DTXSID8022747
formula: C24H26N2O4
inchikey: OGHNVEJMJSYVRP-UHFFFAOYSA-N
norman_susdat_id: NS00002339
pubchem_cid: 2585
smiles: COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
inchi:
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3


name: N2-(N-glycyl-L-histidyl)-L-lysine monoacetate
cas: 72957-37-0
formula: C14H24N6O4
inchikey: MGNUTAFMLGJBGV-ACMTZBLWSA-N
norman_susdat_id: NS00060679
pubchem_cid: 22214678
smiles: O=C(O)C.O=C(O)C(NC(=O)C(NC(=O)CN)CC=1N=CNC1)CCCCN
inchi:
InChI=1/C14H24N6O4.C2H4O2/c15-4-2-1-3-10(14(23)24)20-13(22)11(19-12(21)6-16)5-9-7-17-8-18-9;1-2(3)4/h7-8,10-11H,1-6,15-16H2,(H,17,18)(H,19,21)(H,20,22)(H,23,24);1H3,(H,3,4)


name: Imiprothrin
cas: 72963-72-5
chebiid: CHEBI:39389
chemspiderid: 110211
dtxsid: DTXSID8034669
formula: C17H22N2O4
inchikey: VPRAQYXPZIFIOH-UHFFFAOYSA-N
norman_susdat_id: NS00000466
pubchem_cid: 123622
smiles: O=C(OCN1C(=O)CN(C1=O)CC#C)C2C(C=C(/C)C)C2(C)C
inchi:
InChI=1S/C17H22N2O4/c1-6-7-18-9-13(20)19(16(18)22)10-23-15(21)14-12(8-11(2)3)17(14,4)5/h1,8,12,14H,7,9-10H2,2-5H3


name: 1-[bis(2,4-dinitrophenyl)methyl]-4-tert-butylpyridinium chloride
cas: 72964-78-4
dtxsid: DTXSID90993735
formula: C22H24N5O8
inchikey: YFKPEPUEGRCTQU-UHFFFAOYSA-M
norman_susdat_id: NS00061713
pubchem_cid: 16205282
inchi:
InChI=1/C22H20N5O8.ClH/c1-22(2,3)14-8-10-23(11-9-14)21(17-6-4-15(24(28)29)12-19(17)26(32)33)18-7-5-16(25(30)31)13-20(18)27(34)35;/h4-13,21H,1-3H3;1H/q+1;/p-1

smiles:
[Cl-].O=[N+]([O-])C1=CC=C(C(=C1)[N+](=O)[O-])C(C2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+]3=CC=C(C=C3)C(C)(C)C


name: Benzonitrile, 4-chloro-2-[[4-[(2-hydroxyethyl)amino]-2-methylphenyl]azo]-
cas: 72968-68-4
chemspiderid: 152802
dtxsid: DTXSID1072684
formula: C16H15Cl1N4O1
inchikey: IXOXJFDILDBSDX-UHFFFAOYSA-N
norman_susdat_id: NS00037449
pubchem_cid: 175342
smiles: Cc1c(ccc(NCCO)c1)N=Nc1c(ccc(Cl)c1)C#N
inchi:
InChI=1S/C16H15ClN4O/c1-11-8-14(19-6-7-22)4-5-15(11)20-21-16-9-13(17)3-2-12(16)10-18/h2-5,8-9,19,22H,6-7H2,1H3/b21-20+


name: Benzoic acid, 2-(ethylideneamino)-, hexyl ester
cas: 72968-69-5
chemspiderid: 145645
dtxsid: DTXSID6072685
formula: C15H21N1O2
inchikey: SLZBWFCFGYFQBU-XRVIQIRUSA-N
norman_susdat_id: NS00012607
pubchem_cid: NA
smiles: CCCCCCOC(=O)c1ccccc1N=CC
inchi:
InChI=1S/C15H21NO2/c1-3-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16-4-2/h4,7-8,10-11H,3,5-6,9,12H2,1-2H3


cas: 72968-71-9
chemspiderid: 145646
dtxsid: DTXSID6072687
formula: C23H29N7O4S1
inchikey: SRTQDAZYCNOJON-UHFFFAOYSA-N
norman_susdat_id: NS00020116
pubchem_cid: 166379
smiles: COCCCNc1nc(NCCCOC)c(N=Nc2c(C#N)c(C)c(s2)C(=O)OC)c(C)c1C#N
name:
2-Thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-3-methyl-, methyl ester

inchi:
InChI=1S/C23H29N7O4S/c1-14-16(12-24)20(26-8-6-10-32-3)28-21(27-9-7-11-33-4)18(14)29-30-22-17(13-25)15(2)19(35-22)23(31)34-5/h6-11H2,1-5H3,(H2,26,27,28)/b30-29+


cas: 72968-72-0
formula: C25H25N5O6S2.Na
inchikey: JFHJWLUJQQTHIL-UHFFFAOYSA-M
norman_susdat_id: NS00090063
smiles: [Na+].CCc4ccccc4NS(=O)(=O)c1cc(ccc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O
name:
Sodium 4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C25H25N5O6S2.Na/c1-4-18-7-5-6-8-22(18)29-37(32,33)23-15-19(10-9-16(23)2)26-27-24-17(3)28-30(25(24)31)20-11-13-21(14-12-20)38(34,35)36;/h5-15,24,29H,4H2,1-3H3,(H,34,35,36);/q;+1/p-1


name: Sodium 1-amino-4-[(2,6-diethyl-4-methylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 72968-73-1
dtxsid: DTXSID90888334
formula: C25H24N2O5S
inchikey: BKUNBYVIXSEXFQ-UHFFFAOYSA-M
norman_susdat_id: NS00059938
pubchem_cid: 166383
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C(=CC(=CC4CC)C)CC
inchi:
InChI=1/C25H24N2O5S.Na/c1-4-14-10-13(3)11-15(5-2)23(14)27-18-12-19(33(30,31)32)22(26)21-20(18)24(28)16-8-6-7-9-17(16)25(21)29;/h6-12,27H,4-5,26H2,1-3H3,(H,30,31,32);/q;+1/p-1


name: Sodium m-[[[4-(benzothiazol-2-ylazo)-m-tolyl]ethylamino]methyl]benzenesulphonate
cas: 72968-74-2
formula: C23H22N4O3S2.Na
inchikey: OLLGHBNUVHGMHJ-UHFFFAOYSA-M
norman_susdat_id: NS00090064
smiles: [Na+].[O-]S(=O)(=O)c1cccc(c1)CN(CC)c4ccc(N=Nc2nc3ccccc3s2)c(C)c4
inchi:
InChI=1/C23H22N4O3S2.Na/c1-3-27(15-17-7-6-8-19(14-17)32(28,29)30)18-11-12-20(16(2)13-18)25-26-23-24-21-9-4-5-10-22(21)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: Sodium 2-[[[2,5-dichloro-4-[(2-phenyl-1H-indol-3-yl)azo]phenyl]sulphonyl]amino]ethanesulphonate
cas: 72968-75-3
formula: C22H18Cl2N4O5S2.Na
inchikey: CRRRYPHVCHHMIQ-UHFFFAOYSA-M
norman_susdat_id: NS00090100
smiles: [Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c4ccccc4nc2c3ccccc3
inchi:
InChI=1/C22H18Cl2N4O5S2.Na/c23-16-13-20(35(32,33)25-10-11-34(29,30)31)17(24)12-19(16)27-28-22-15-8-4-5-9-18(15)26-21(22)14-6-2-1-3-7-14;/h1-9,12-13,25-26H,10-11H2,(H,29,30,31);/q;+1/p-1


cas: 72968-78-6
chemspiderid: 104384
dtxsid: DTXSID1072688
formula: C22H23N5O8
inchikey: DKEKZBAMMFOUGD-UHFFFAOYSA-N
norman_susdat_id: NS00037450
pubchem_cid: 166385
smiles: COC(=O)OCCN(CCOC(=O)OC)c1cc(C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
name:
2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]-3-oxo-, methyl ester

inchi:
InChI=1S/C22H23N5O8/c1-15-12-17(26(8-10-34-21(28)32-2)9-11-35-22(29)33-3)4-6-19(15)24-25-20-7-5-18(27(30)31)13-16(20)14-23/h4-7,12-13H,8-11H2,1-3H3/b25-24-


cas: 72968-80-0
dtxsid: DTXSID50890317
formula: C35H27N6O11S3
inchikey: CEXKQVNVJBGENQ-UHFFFAOYSA-L
norman_susdat_id: NS00061048
pubchem_cid: 166386
name:
Disodium 5-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C35H26N6O11S3.2Na/c1-22-2-13-28(14-3-22)55(50,51)52-27-11-8-25(9-12-27)38-39-32-18-19-33(31-21-29(53(44,45)46)15-16-30(31)32)40-37-24-6-4-23(5-7-24)36-34-17-10-26(41(42)43)20-35(34)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)C=6C=CC(=CC36)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


cas: 72968-81-1
dtxsid: DTXSID10890318
formula: C35H27N6O11S3
inchikey: ITWBKSQPIARJAF-UHFFFAOYSA-L
norman_susdat_id: NS00059939
pubchem_cid: 21124511
name:
Disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C35H26N6O11S3.2Na/c1-22-5-16-28(17-6-22)55(50,51)52-27-14-11-25(12-15-27)38-40-32-20-19-30(29-3-2-4-33(35(29)32)53(44,45)46)39-37-24-9-7-23(8-10-24)36-31-18-13-26(41(42)43)21-34(31)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=CC(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)=C6C3C=CC=C6S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: Methanesulfonamide, N-[2-[(2,6-dicyano-4-methylphenyl)azo]-5-(dipropylamino)phenyl]-
cas: 72968-82-2
chemspiderid: 145657
dtxsid: DTXSID5072690
formula: C22H26N6O2S1
inchikey: DYOVEOOVFVMXAP-UHFFFAOYSA-N
norman_susdat_id: NS00020345
pubchem_cid: 166390
smiles: CCCN(CCC)c1cc(NS(=O)(=O)C)c(cc1)N=Nc1c(cc(C)cc1C#N)C#N
inchi:
InChI=1S/C22H26N6O2S/c1-5-9-28(10-6-2)19-7-8-20(21(13-19)27-31(4,29)30)25-26-22-17(14-23)11-16(3)12-18(22)15-24/h7-8,11-13,27H,5-6,9-10H2,1-4H3/b26-25+


name: 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 72970-75-3
dtxsid: DTXSID70993738
formula: C28H31N2O
inchikey: MQOKTYYSWJDIKD-UHFFFAOYSA-M
norman_susdat_id: NS00059940
pubchem_cid: NA
smiles: O=C([O-])C.O(C1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C)CC
inchi:
InChI=1/C28H31N2O.C2H4O2/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;1-2(3)4/h7-20H,6H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: trans-4-propylcyclohexyl trans-p-(4-pentylcyclohexyl)benzoate
cas: 72983-70-1
dtxsid: DTXSID90888339
formula: C27H42O2
inchikey: PEXDPLSTNBSZFP-BBGMPZJDSA-N
norman_susdat_id: NS00059952
pubchem_cid: 175349
smiles: O=C(OC1CCC(CCC)CC1)C2=CC=C(C=C2)C3CCC(CCCCC)CC3
inchi:
InChI=1/C27H42O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h15-18,21-23,26H,3-14,19-20H2,1-2H3


cas: 72984-36-2
formula: C34H36N4O6.3Na
inchikey: SRFCMNVHRLQFQH-HDCLIJNVSA-K
norman_susdat_id: NS00089621
name:
Trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C34H34N4O6.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-]


cas: 72984-37-3
formula: C34H36N4O6.3K
inchikey: YGRSUWFSQXHQCQ-HDCLIJNVSA-K
norman_susdat_id: NS00090102
name:
Tripotassium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C34H34N4O6.3K/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].CCC1=C(C)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-]


name: 1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium chloride
cas: 72984-92-0
formula: C25H26N5
inchikey: VFWIORFZDNFZID-UHFFFAOYSA-M
norman_susdat_id: NS00059093
pubchem_cid: NA
smiles: [Cl-].N(=NC1=CC=C(C=C1)N(N=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C)C=4C=CC=CC4
inchi:
InChI=1/C25H26N5.ClH/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;/h5-18H,1-4H3;1H/q+1;/p-1


cas: 72986-60-8
dtxsid: DTXSID70890319
formula: C34H25N6O11S3
inchikey: AIFUCUFOMJAMEJ-UHFFFAOYSA-L
norman_susdat_id: NS00059094
pubchem_cid: 166391
name:
Disodium 5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-8-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C34H24N6O11S3.2Na/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-38-31-18-19-32(30-21-28(52(43,44)45)15-16-29(30)31)39-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27;;/h1-21,35H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(OS(=O)(=O)C=5C=CC=CC5)C=C4)C=6C=C(C=CC36)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


cas: 72986-61-9
dtxsid: DTXSID80890320
formula: C34H25N6O11S3
inchikey: KSZNUSASVDLFBT-UHFFFAOYSA-L
norman_susdat_id: NS00059095
pubchem_cid: 166393
name:
Disodium 8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]-5-[[4-[(phenylsulphonyl)oxy]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C34H24N6O11S3.2Na/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-39-32-19-18-31(29-16-15-28(21-30(29)32)52(43,44)45)38-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27;;/h1-21,35H,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(OS(=O)(=O)C=5C=CC=CC5)C=C4)C=6C=CC(=CC36)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


cas: 72987-21-4
dtxsid: DTXSID40904876
formula: C41H32N8O19S5
inchikey: BRZMATKZKCMEPJ-UHFFFAOYSA-I
norman_susdat_id: NS00059096
pubchem_cid: NA
name:
Pentasodium 4-hydroxy-5-[[4-[[[[5-hydroxy-7-sulphonato-6-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]-2-naphthyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C41H32N8O19S5.5Na/c1-20-11-32(35(68-2)19-31(20)47-48-33-17-27(70(56,57)58)13-22-14-28(71(59,60)61)18-34(50)38(22)33)43-41(52)42-24-5-9-29-21(12-24)15-37(73(65,66)67)39(40(29)51)49-46-30-10-6-25(16-36(30)72(62,63)64)45-44-23-3-7-26(8-4-23)69(53,54)55;;;;;/h3-19,50-51H,1-2H3,(H2,42,43,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC5=CC(=C(N=NC=6C=C(C=C7C=C(C=C(O)C67)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C5OC)C


name: 6,6'-(1-ethylethylene)bis(1,3,5-triazine-2,4-diamine)
cas: 72987-36-1
dtxsid: DTXSID00888345
formula: C10H16N10
inchikey: VCRJKOQZRVOZDA-UHFFFAOYSA-N
norman_susdat_id: NS00059077
pubchem_cid: 175360
smiles: N=1C(=NC(=NC1N)CC(C=2N=C(N=C(N2)N)N)CC)N
inchi:
InChI=1/C10H16N10/c1-2-4(6-17-9(13)20-10(14)18-6)3-5-15-7(11)19-8(12)16-5/h4H,2-3H2,1H3,(H4,11,12,15,16,19)(H4,13,14,17,18,20)


name: 2,2'-[3-methyl-4-(5-nitrothiazol-2-ylazo)phenylimino]bisethanol
cas: 72987-42-9
dtxsid: DTXSID60888346
formula: C14H18N5O4S
inchikey: ZRFKBPGAGIGQON-UHFFFAOYSA-N
norman_susdat_id: NS00059078
pubchem_cid: 175361
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2C)N(CCO)CCO)=NC1
inchi:
InChI=1/C14H17N5O4S/c1-10-8-11(18(4-6-20)5-7-21)2-3-12(10)16-17-14-15-9-13(24-14)19(22)23/h2-3,8-9,20-21H,4-7H2,1H3


cas: 72987-46-3
formula: C34H24N6O11S2
inchikey: VJHZFJOJOFPVJJ-UHFFFAOYSA-N
norman_susdat_id: NS00089622
smiles: OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(cc5)C(O)=O)c6O)S(O)(=O)=O
name:
4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]-3-sulpho-2-naphthyl]azo]benzoic acid

inchi:
InChI=1/C34H24N6O11S2/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51)


name: 2-(6,10,10-trimethylbicyclo[7.2.0]undeca-2,5-dien-2-yl)ethyl acetate
cas: 72987-56-5
dtxsid: DTXSID20888347
formula: C18H28O2
inchikey: WXTWOJBDAKYXLP-GWMOXCNNSA-N
norman_susdat_id: NS00059118
pubchem_cid: 6441362
smiles: O=C(OCCC1=CCC=C(C)CCC2C1CC2(C)C)C
inchi:
InChI=1/C18H28O2/c1-13-6-5-7-15(10-11-20-14(2)19)16-12-18(3,4)17(16)9-8-13/h6-7,16-17H,5,8-12H2,1-4H3


name: Bis(2-ethylbutyl) phthalate
cas: 7299-89-0
chemspiderid: 73742
dtxsid: DTXSID70223269
formula: C20H30O4
inchikey: RXUXJHZMTDAMFZ-UHFFFAOYSA-N
norman_susdat_id: NS00037459
pubchem_cid: 81724
smiles: CCC(CC)COC(=O)c1c(cccc1)C(=O)OCC(CC)CC
inchi:
InChI=1S/C20H30O4/c1-5-15(6-2)13-23-19(21)17-11-9-10-12-18(17)20(22)24-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3


name: 2,2-Bis{[(2-ethylhexanoyl)oxy]methyl}propane-1,3-diyl bis(2-ethylhexanoate)
cas: 7299-99-2
chemspiderid: 99601
dtxsid: DTXSID90864037
formula: C37H68O8
inchikey: DRRMRHKHTQRWMB-UHFFFAOYSA-N
norman_susdat_id: NS00003257
pubchem_cid: 110956
smiles: CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC
inchi:
InChI=1S/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3


name: Methyl 4-[(propionyl)phenylamino]piperidine-4-carboxylate
cas: 72996-78-2
dtxsid: DTXSID10993752
formula: C16H22N2O3
inchikey: HFNFODVRYCEIQL-UHFFFAOYSA-N
norman_susdat_id: NS00060004
pubchem_cid: 2724431
smiles: O=C(OC)C1(N(C=2C=CC=CC2)C(=O)CC)CCNCC1
inchi:
InChI=1/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3


name: 1-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 72998-56-2
formula: C23H23N2O
inchikey: ZYHGRNUNHLNLTR-UHFFFAOYSA-M
norman_susdat_id: NS00060005
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC=3C=CC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C23H23N2O.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: 3-hydroxy-7-[[(o-tolyl)amino]sulphonyl]-N-(o-tolyl)naphthalene-2-carboxamide
cas: 72999-33-8
dtxsid: DTXSID30993754
formula: C25H22N2O4S
inchikey: FUPMXJQQCIJMHC-UHFFFAOYSA-N
norman_susdat_id: NS00059120
pubchem_cid: 3018392
smiles: O=C(NC=1C=CC=CC1C)C2=CC3=CC(=CC=C3C=C2O)S(=O)(=O)NC=4C=CC=CC4C
inchi:
InChI=1/C25H22N2O4S/c1-16-7-3-5-9-22(16)26-25(29)21-14-19-13-20(12-11-18(19)15-24(21)28)32(30,31)27-23-10-6-4-8-17(23)2/h3-15,27-28H,1-2H3,(H,26,29)


name: Cordycepin
cas: 73-03-0
chebiid: CHEBI:29014
chemspiderid: 6064
dtxsid: DTXSID1041007
formula: C10H13N5O3
inchikey: OFEZSBMBBKLLBJ-BAJZRUMYSA-N
norman_susdat_id: NS00011700
pubchem_cid: 6303
smiles: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N
inchi:
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1


name: Phentolamine hydrochloride [USP]
cas: 73-05-2
dtxsid: DTXSID40223271
formula: C17H20ClN3O
inchikey: TUEJFGFQYKDAPM-UHFFFAOYSA-N
norman_susdat_id: NS00076298
smiles: Cl.CC1=CC=C(C=C1)N(CC1=NCCN1)C1=CC(O)=CC=C1
inchi:
InChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H


name: l-Tryptophan
cas: 73-22-3
chebiid: CHEBI:57912
chemspiderid: 6066
dtxsid: DTXSID5021419
formula: C11H12N2O2
inchikey: QIVBCDIJIAJPQS-VIFPVBQESA-N
norman_susdat_id: NS00003513
pubchem_cid: 6305
smiles: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
inchi:
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1


name: Melatonin
cas: 73-31-4
chebiid: CHEBI:16796
chemspiderid: 872
dtxsid: DTXSID1022421
formula: C13H16N2O2
inchikey: DRLFMBDRBRZALE-UHFFFAOYSA-N
norman_susdat_id: NS00009598
pubchem_cid: 896
smiles: COc1ccc2[nH]cc(CCNC(C)=O)c2c1
inchi:
InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)


name: Bendroflumethiazide
cas: 73-48-3
chebiid: CHEBI:3013
chemspiderid: 2225
dtxsid: DTXSID5022647
formula: C15H14F3N3O4S2
inchikey: HDWIHXWEUNVBIY-UHFFFAOYSA-N
norman_susdat_id: NS00007673
pubchem_cid: 2315
smiles: NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F
inchi:
InChI=1S/C15H14F3N3O4S2/c16-15(17,18)10-7-11-13(8-12(10)26(19,22)23)27(24,25)21-14(20-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,20-21H,6H2,(H2,19,22,23)


name: Quinethazone
cas: 73-49-4
chemspiderid: 6068
dtxsid: DTXSID9023548
formula: C10H12Cl1N3O3S1
inchikey: AGMMTXLNIQSRCG-UHFFFAOYNA-N
norman_susdat_id: NS00037523
pubchem_cid: NA
smiles: CCC1NC(=O)c2c(N1)cc(Cl)c(c2)S(=O)(=O)N
inchi:
InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)/t9-/m0/s1


name: Methitural sodium
cas: 730-68-7
formula: C12H20N2O2S2.Na
inchikey: IPFUISOJBWATGQ-UHFFFAOYSA-N
norman_susdat_id: NS00080115
smiles: [Na+].CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O
inchi:
InChI=1/C12H20N2O2S2.Na/c1-4-5-8(2)12(6-7-18-3)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1


name: N-(4-Nitrophenyl)-L-glutamine
cas: 7300-59-6
chemspiderid: 73748
dtxsid: DTXSID9045057
formula: C11H13N3O5
inchikey: WMZTYIRRBCGARG-VIFPVBQESA-N
norman_susdat_id: NS00022734
pubchem_cid: 21115778
smiles: [NH3+][C@@H](CCC(=O)Nc1ccc(cc1)[N+](=O)[O-])C(=O)[O-]
inchi:
InChI=1S/C11H13N3O5/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1


name: 3,6,9,12,15,18,21,24,27-Nonaoxahentetracontan-1-ol
cas: 7300-81-4
chemspiderid: 73549
dtxsid: DTXSID30223285
formula: C32H66O10
inchikey: UOALIJJTQGHCBM-UHFFFAOYSA-N
norman_susdat_id: NS00037463
pubchem_cid: 81733
smiles: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C32H66O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-34-17-19-36-21-23-38-25-27-40-29-31-42-32-30-41-28-26-39-24-22-37-20-18-35-16-14-33/h33H,2-32H2,1H3


name: 5-Azulenemethanol, 1,2,3,3a,4,5,6,7(or 1,2,3,4,5,6,7,8)-octahydro-.alpha.,.alpha.,3,8-tetramethyl-
cas: 73003-40-4
chemspiderid: 81969
dtxsid: DTXSID9052472
formula: C13H20O1
inchikey: LGOFSGDSFQNIAT-UHFFFAOYNA-N
norman_susdat_id: NS00022733
pubchem_cid: NA
smiles: C[C@@H]1CC=C2[C@@H]1C[C@H](CO)CC=C2C
inchi:
InChI=1S/C13H20O/c1-9-3-5-11(8-14)7-13-10(2)4-6-12(9)13/h3,6,10-11,13-14H,4-5,7-8H2,1-2H3/t10-,11-,13-/m1/s1


cas: 73003-47-1
formula: C19H40O3
norman_susdat_id: NS00101864
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[(2-ethylhexyl)oxy]-1-[[(2-ethylhexyl)oxy]methyl]ethyl]-.omega.-hydroxy-


cas: 73003-64-2
chemspiderid: 145665
dtxsid: DTXSID2072702
formula: C21H22Cl2N4O8
inchikey: QDGGBOJNWZLJBX-UHFFFAOYSA-N
norman_susdat_id: NS00037460
pubchem_cid: 166401
smiles: COC(=O)OCCN(CCOC(=O)OC)c1cc(C)c(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
name:
2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]-3-oxo-, methyl ester

inchi:
InChI=1S/C21H22Cl2N4O8/c1-13-10-14(26(6-8-34-20(28)32-2)7-9-35-21(29)33-3)4-5-18(13)24-25-19-16(22)11-15(27(30)31)12-17(19)23/h4-5,10-12H,6-9H2,1-3H3


name: Tridecyl hydrogen sulphate, compound with 2-aminoethanol (1:1)
cas: 73003-73-3
formula: C13H28O4S.C2H7NO
inchikey: VXHSSOYVFYWQPZ-UHFFFAOYSA-N
norman_susdat_id: NS00089624
smiles: CCCCCCCCCCCCCOS(=O)(=O)O.NCCO
inchi:
InChI=1/C13H28O4S.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;3-1-2-4/h2-13H2,1H3,(H,14,15,16);4H,1-3H2


name: Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, propyl ester
cas: 73003-79-9
chemspiderid: 152823
dtxsid: DTXSID7072709
formula: C40H24N6O14S3
inchikey: SOCWTMTXXZJZPW-UHFFFAOYSA-N
norman_susdat_id: NS00037461
pubchem_cid: 175373
inchi:
InChI=1S/C40H24N6O14S3/c1-2-18-57-40(50)21-19-31(58-61(51,52)33-9-3-6-25-22(33)12-15-28(44-41)36(25)47)39(60-63(55,56)35-11-5-8-27-24(35)14-17-30(46-43)38(27)49)32(20-21)59-62(53,54)34-10-4-7-26-23(34)13-16-29(45-42)37(26)48/h3-17,19-20H,2,18H2,1H3

smiles:
CCCOC(=O)c1cc(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c1


name: Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester
cas: 73003-81-3
chemspiderid: 152826
dtxsid: DTXSID6072710
formula: C39H22N6O14S3
inchikey: HLAAGTOTKUVPJQ-UHFFFAOYSA-N
norman_susdat_id: NS00037462
pubchem_cid: 175376
inchi:
InChI=1S/C39H22N6O14S3/c1-2-56-39(49)20-18-30(57-60(50,51)32-9-3-6-24-21(32)12-15-27(43-40)35(24)46)38(59-62(54,55)34-11-5-8-26-23(34)14-17-29(45-42)37(26)48)31(19-20)58-61(52,53)33-10-4-7-25-22(33)13-16-28(44-41)36(25)47/h3-19H,2H2,1H3

smiles:
CCOC(=O)c1cc(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c1


name: Tetraphenylarsonium chloride, compound with hydrochloric acid (1:1)
cas: 73003-83-5
formula: C24H20As.ClH.Cl
inchikey: APNZVTSMUNHRHL-UHFFFAOYSA-M
norman_susdat_id: NS00089667
smiles: Cl.[Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20As.2ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;;/h1-20H;2*1H/q+1;;/p-1


cas: 73003-84-6
formula: C28H22N4O12S3
inchikey: YOWVPESBJWMOAU-UHFFFAOYSA-N
norman_susdat_id: NS00059133
pubchem_cid: 175379
name:
4-hydroxy-7-[[[(5-hydroxy-7-sulpho-2-naphthyl)amino]carbonyl]amino]-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C28H22N4O12S3/c1-14-8-19(45(36,37)38)4-7-23(14)31-32-26-25(47(42,43)44)12-16-10-18(3-6-22(16)27(26)34)30-28(35)29-17-2-5-21-15(9-17)11-20(13-24(21)33)46(39,40)41/h2-13,33-34H,1H3,(H2,29,30,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)

smiles:
O=C(NC=1C=CC2=C(O)C=C(C=C2C1)S(=O)(=O)O)NC=3C=CC4=C(O)C(N=NC5=CC=C(C=C5C)S(=O)(=O)O)=C(C=C4C3)S(=O)(=O)O


name: 2-[[4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile
cas: 73013-77-1
formula: C24H21N6O3
inchikey: DRTTUVOUBWLRPF-UHFFFAOYSA-N
norman_susdat_id: NS00058630
pubchem_cid: 3018395
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CCC#N)CCOC=3C=CC=CC3)[N+](=O)[O-]
inchi:
InChI=1/C24H20N6O3/c25-13-4-14-29(15-16-33-23-5-2-1-3-6-23)21-9-7-20(8-10-21)27-28-24-12-11-22(30(31)32)17-19(24)18-26/h1-3,5-12,17H,4,14-16H2


cas: 73018-45-8
formula: C6H15NO3
norman_susdat_id: NS00101419
name:
Cuprate(3-), [29H,31H-phthalocyaninetrisulfonato(5-)-N29,N30,N31,N32]-, potassium, compds. with polyethylene glycol ether with triethanolamine (3:1)


cas: 73018-93-6
dtxsid: DTXSID40880964
norman_susdat_id: NS00110256
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with 2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethyl 2-propenoate


name: 1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium methyl sulphate
cas: 73019-04-2
formula: C25H26N5.CH3O4S
inchikey: ZHQCIGBHULHDOR-UHFFFAOYSA-M
norman_susdat_id: NS00089668
smiles: [O-]S(=O)(=O)OC.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3
inchi:
InChI=1/C25H26N5.CH4O4S/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5-6(2,3)4/h5-18H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium methyl sulphate
cas: 73019-09-7
dtxsid: DTXSID30888358
formula: C20H24N3
inchikey: WYYPHFSXWSKRQJ-UHFFFAOYSA-M
norman_susdat_id: NS00058631
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)N(C3=CC=C(C=C3)C)C
inchi:
InChI=1/C20H24N3.CH4O4S/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;1-5-6(2,3)4/h6-14H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
cas: 73019-17-7
chemspiderid: 90023
dtxsid: DTXSID6072716
formula: C16H20N4O2
inchikey: UETWDALPWUJVBV-UHFFFAOYSA-N
norman_susdat_id: NS00037465
pubchem_cid: 99645
smiles: CN(C)C(=O)Nc1cccc2c(NC(=O)N(C)C)cccc12
inchi:
InChI=1S/C16H20N4O2/c1-19(2)15(21)17-13-9-5-8-12-11(13)7-6-10-14(12)18-16(22)20(3)4/h5-10H,1-4H3,(H,17,21)(H,18,22)


name: 4-(4-(2-((Perfluorooctylsulfonyl)propylamino)ethylaminocarbonyl)phenylmethyl)-N-octadecylbenzamide
cas: 73019-19-9
chemspiderid: 23352833
dtxsid: DTXSID00880965
formula: C46H60F17N3O4S1
inchikey: VSMLCKGSLXSQHO-UHFFFAOYSA-N
norman_susdat_id: NS00011349
pubchem_cid: 44154286
inchi:
InChI=1S/C46H60F17N3O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-64-37(67)35-24-20-33(21-25-35)32-34-22-26-36(27-23-34)38(68)65-29-31-66(30-4-2)71(69,70)46(62,63)44(57,58)42(53,54)40(49,50)39(47,48)41(51,52)43(55,56)45(59,60)61/h20-27H,3-19,28-32H2,1-2H3,(H,64,67)(H,65,68)

smiles:
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)Cc2ccc(cc2)C(=O)NCCN(CCC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


cas: 73019-20-2
chemspiderid: 35788161
dtxsid: DTXSID60880966
formula: C33H26F34N4O6S2
inchikey: TZGYROAPHGJQIG-UHFFFAOYSA-N
norman_susdat_id: NS00011350
pubchem_cid: 44148143
name:
N3-(2-(((heptadecafluorooctyl)sulfonyl)methylamino)ethyl)-N1-(2-(((heptadecafluorooctyl)sulfonyl)propylamino)ethyl)-4-methyl-1,3-benzenedicarboxamide

inchi:
InChI=1S/C33H26F34N4O6S2/c1-4-9-71(79(76,77)33(66,67)29(56,57)25(48,49)21(40,41)19(36,37)23(44,45)27(52,53)31(61,62)63)11-8-68-16(72)14-6-5-13(2)15(12-14)17(73)69-7-10-70(3)78(74,75)32(64,65)28(54,55)24(46,47)20(38,39)18(34,35)22(42,43)26(50,51)30(58,59)60/h5-6,12H,4,7-11H2,1-3H3,(H,68,72)(H,69,73)

smiles:
FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)S(=O)(=O)N(CCNC(=O)C=1C=C(C=CC1C)C(=O)NCCN(CCC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C


cas: 73019-24-6
chemspiderid: 4946158
dtxsid: DTXSID1072717
formula: C19H18Cl1N7O1S1
inchikey: UBXBMURPXHEFSZ-UHFFFAOYSA-N
norman_susdat_id: NS00037466
pubchem_cid: 175395
smiles: CC(=O)Nc1c(ccc(c1)N(CCC#N)C/C=C/Cl)N=Nc1c(C#N)c(C)ns1
name:
Acetamide, N-[5-[(3-chloro-2-propenyl)(2-cyanoethyl)amino]-2-[(4-cyano-3-methyl-5-isothiazolyl)azo]phenyl]-

inchi:
InChI=1S/C19H18ClN7OS/c1-13-16(12-22)19(29-26-13)25-24-17-6-5-15(11-18(17)23-14(2)28)27(9-3-7-20)10-4-8-21/h3,5-7,11H,4,9-10H2,1-2H3,(H,23,28)/b7-3+,25-24+


cas: 73019-28-0
dtxsid: DTXSID20882805
norman_susdat_id: NS00109620
name:
2-Propenoic acid, 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-methoxypoly(oxy-1,2-ethanediyl)


name: 11-(Dansylamino)undecanoic acid
cas: 73025-02-2
chemspiderid: 108840
dtxsid: DTXSID90223302
formula: C23H34N2O4S1
inchikey: CEPGVMDMVJGHFQ-UHFFFAOYSA-N
norman_susdat_id: NS00018680
pubchem_cid: 122016
smiles: CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCCCCCCC(=O)O
inchi:
InChI=1S/C23H34N2O4S/c1-25(2)21-15-11-14-20-19(21)13-12-16-22(20)30(28,29)24-18-10-8-6-4-3-5-7-9-17-23(26)27/h11-16,24H,3-10,17-18H2,1-2H3,(H,26,27)


name: Benzenesulfonic acid, oxybis[methyl-, sodium salt (1:2)
cas: 73037-34-0
chemspiderid: 152843
dtxsid: DTXSID00890327
formula: C14H14O7S2
inchikey: VGRKMGBGMTUWFI-UHFFFAOYSA-N
norman_susdat_id: NS00005366
pubchem_cid: 175399
smiles: Cc1cc(Oc2cc(C)cc(c2)S(O)(=O)=O)cc(c1)S(O)(=O)=O
inchi:
InChI=1S/C14H14O7S2/c1-9-3-11(7-13(5-9)22(15,16)17)21-12-4-10(2)6-14(8-12)23(18,19)20/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20)


cas: 73038-33-2
dtxsid: DTXSID70882850
norman_susdat_id: NS00111334
name:
2-Propenoic acid, 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl ester, polymer with methyloxirane polymer with oxirane mono(2-methyl-2-propenoate)


name: Fluorotriisobutylstannane
cas: 7304-48-5
dtxsid: DTXSID5064623
formula: C12H27FSn
inchikey: OUURAJKTQFMUFK-UHFFFAOYSA-M
norman_susdat_id: NS00044554
pubchem_cid: NA
smiles: F[Sn](CC(C)C)(CC(C)C)CC(C)C
inchi:
InChI=1/3C4H9.FH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27FSn/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3


name: N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]-1,5-pentanediyl]bisoctanamide
cas: 73067-73-9
dtxsid: DTXSID40993826
formula: C27H54N4O3
inchikey: QFTXUGHGFWWFJE-UHFFFAOYSA-N
norman_susdat_id: NS00058708
pubchem_cid: 44147397
smiles: O=C(NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C)CCCCCCC
inchi:
InChI=1/C27H54N4O3/c1-5-7-9-11-13-19-25(32)28-21-16-15-18-24(27(34)29-22-17-23-31(3)4)30-26(33)20-14-12-10-8-6-2/h24H,5-23H2,1-4H3,(H,28,32)(H,29,34)(H,30,33)


cas: 73067-74-0
formula: C27H54N4O3.ClH
inchikey: LLTOATIIELGAGD-UHFFFAOYSA-N
norman_susdat_id: NS00089462
smiles: Cl.CCCCCCCC(=O)NCCCCC(NC(=O)CCCCCCC)C(=O)NCCCN(C)C
name:
N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bis(octanamide) monohydrochloride

inchi:
InChI=1/C27H54N4O3.ClH/c1-5-7-9-11-13-19-25(32)28-21-16-15-18-24(27(34)29-22-17-23-31(3)4)30-26(33)20-14-12-10-8-6-2;/h24H,5-23H2,1-4H3,(H,28,32)(H,29,34)(H,30,33);1H


name: N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bis(dodecanamide)
cas: 73067-75-1
dtxsid: DTXSID60993828
formula: C35H70N4O3
inchikey: JMWRFLHXLKLCIX-UHFFFAOYSA-N
norman_susdat_id: NS00060123
pubchem_cid: 44152362
smiles: O=C(NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)NCCCN(C)C)CCCCCCCCCCC
inchi:
InChI=1/C35H70N4O3/c1-5-7-9-11-13-15-17-19-21-27-33(40)36-29-24-23-26-32(35(42)37-30-25-31-39(3)4)38-34(41)28-22-20-18-16-14-12-10-8-6-2/h32H,5-31H2,1-4H3,(H,36,40)(H,37,42)(H,38,41)


name: N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bismyristamide
cas: 73067-76-2
dtxsid: DTXSID20993829
formula: C39H78N4O3
inchikey: FIJASZBAYLYSEQ-UHFFFAOYSA-N
norman_susdat_id: NS00059210
pubchem_cid: 44145082
smiles: O=C(NCCCCC(NC(=O)CCCCCCCCCCCCC)C(=O)NCCCN(C)C)CCCCCCCCCCCCC
inchi:
InChI=1/C39H78N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-31-37(44)40-33-28-27-30-36(39(46)41-34-29-35-43(3)4)42-38(45)32-26-24-22-20-18-16-14-12-10-8-6-2/h36H,5-35H2,1-4H3,(H,40,44)(H,41,46)(H,42,45)


name: N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]distearamide
cas: 73067-77-3
dtxsid: DTXSID30993830
formula: C47H94N4O3
inchikey: OVMIRNFSXFBJQQ-UHFFFAOYSA-N
norman_susdat_id: NS00059211
pubchem_cid: 44147380
smiles: O=C(NCCCCC(NC(=O)CCCCCCCCCCCCCCCCC)C(=O)NCCCN(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C47H94N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-45(52)48-41-36-35-38-44(47(54)49-42-37-43-51(3)4)50-46(53)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h44H,5-43H2,1-4H3,(H,48,52)(H,49,54)(H,50,53)


name: (S)-N,N'-bis[3-(dimethylamino)propyl]-2-[(1-oxododecyl)amino]glutaramide
cas: 73067-87-5
dtxsid: DTXSID90993831
formula: C27H55N5O3
inchikey: ZXLBXQMOLJCJSN-DEOSSOPVSA-N
norman_susdat_id: NS00059212
pubchem_cid: 21149560
smiles: O=C(NCCCN(C)C)CCC(NC(=O)CCCCCCCCCCC)C(=O)NCCCN(C)C
inchi:
InChI=1/C27H55N5O3/c1-6-7-8-9-10-11-12-13-14-17-26(34)30-24(27(35)29-21-16-23-32(4)5)18-19-25(33)28-20-15-22-31(2)3/h24H,6-23H2,1-5H3,(H,28,33)(H,29,35)(H,30,34)


name: Phosphoric acid, 2-ethylhexyl ester, compd. with 2,2'-iminobis[ethanol]
cas: 73070-48-1
formula: -
inchikey: AMQKEJDPYCXDMK-UHFFFAOYSA-N
norman_susdat_id: NS00089463
smiles: CCCCC(CC)COP(=O)(O)O.OCCNCCO
inchi:
InChI=1/C8H19O4P.C4H11NO2/c1-3-5-6-8(4-2)7-12-13(9,10)11;6-3-1-5-2-4-7/h8H,3-7H2,1-2H3,(H2,9,10,11);5-7H,1-4H2


name: N,N'-[1-[[[3-(dimethylamino)propyl]amino]carbonyl]pentane-1,5-diyl]bishexadecan-1-amide
cas: 73072-14-7
dtxsid: DTXSID70993834
formula: C43H86N4O3
inchikey: BPDJDLMEVGMDLH-UHFFFAOYSA-N
norman_susdat_id: NS00058709
pubchem_cid: 44151099
smiles: O=C(NCCCCC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NCCCN(C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C43H86N4O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-35-41(48)44-37-32-31-34-40(43(50)45-38-33-39-47(3)4)46-42(49)36-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h40H,5-39H2,1-4H3,(H,44,48)(H,45,50)(H,46,49)


cas: 73075-42-0
dtxsid: DTXSID90993836
formula: C29H25N2S2
inchikey: AKFPWVROJDSWFH-UHFFFAOYSA-M
norman_susdat_id: NS00060124
pubchem_cid: NA
smiles: [Br-].S1C=2C=CC=3C=CC=CC3C2N(C1=CC(=CC=4SC5=CC=C6C=CC=CC6=C5[N+]4C)CC)C
name:
1-methyl-2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho[1,2-d]thiazolium bromide

inchi:
InChI=1/C29H25N2S2.BrH/c1-4-19(17-26-30(2)28-22-11-7-5-9-20(22)13-15-24(28)32-26)18-27-31(3)29-23-12-8-6-10-21(23)14-16-25(29)33-27;/h5-18H,4H2,1-3H3;1H/q+1;/p-1


name: Sodium 2-[methyl(1-oxo-9-octadecenyl)amino]ethanesulphonate
cas: 7308-16-9
formula: C21H41NO4S.Na
inchikey: IZWPGJFSBABFGL-UHFFFAOYSA-M
norman_susdat_id: NS00080748
smiles: [Na+].[O-]S(=O)(=O)CCN(C)C(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1


name: Fluorescein dilaurate
cas: 7308-90-9
chemspiderid: 73759
dtxsid: DTXSID50223348
formula: C44H56O7
inchikey: MYTRGBGGRICZGN-UHFFFAOYSA-N
norman_susdat_id: NS00003868
pubchem_cid: 81743
smiles: CCCCCCCCCCCC(=O)Oc1ccc2c(Oc3cc(OC(=O)CCCCCCCCCCC)ccc3C22OC(=O)c3ccccc23)c1
inchi:
InChI=1S/C44H56O7/c1-3-5-7-9-11-13-15-17-19-25-41(45)48-33-27-29-37-39(31-33)50-40-32-34(49-42(46)26-20-18-16-14-12-10-8-6-4-2)28-30-38(40)44(37)36-24-22-21-23-35(36)43(47)51-44/h21-24,27-32H,3-20,25-26H2,1-2H3


name: (S)-nicotine citrate
cas: 73086-01-8
formula: C10H14N2.xC6H8O7
inchikey: SDVKWBNZJFWIMO-PPHPATTJSA-N
norman_susdat_id: NS00089464
smiles: CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C10H14N2.C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


cas: 73097-95-7
chemspiderid: 10143984
dtxsid: DTXSID10223369
formula: C38H21Cl1N6O5
inchikey: KLZXJKYQYQZHKA-UHFFFAOYSA-N
norman_susdat_id: NS00037472
pubchem_cid: 11970601
smiles: Clc1nc(Nc2cccc3c2C(=O)c2c(c(NC(=O)c4ccccc4)ccc2)C3=O)nc(Nc2cccc3c2C(=O)c2c(cccc2)C3=O)n1
name:
N-(5-((4-Chloro-6-((9,10-dihydro-9,10-dioxo-1-anthryl)amino)-1,3,5-triazin-2-yl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide

inchi:
InChI=1S/C38H21ClN6O5/c39-36-43-37(41-26-17-6-13-22-28(26)32(47)21-12-5-4-11-20(21)31(22)46)45-38(44-36)42-27-18-8-15-24-30(27)34(49)23-14-7-16-25(29(23)33(24)48)40-35(50)19-9-2-1-3-10-19/h1-18H,(H,40,50)(H2,41,42,43,44,45)


name: 2-[2-[2-[2-(4-Nonylphenoxy)ethoxy]ethoxy]ethoxy] ethanol
cas: 7311-27-5
chemspiderid: 73761
dtxsid: DTXSID0064624
formula: C23H40O5
inchikey: UTXPMECBRCEYCI-UHFFFAOYSA-N
norman_susdat_id: NS00013900
pubchem_cid: 81745
smiles: CCCCCCCCCc1ccc(OCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)28-21-20-27-19-18-26-17-16-25-15-14-24/h10-13,24H,2-9,14-21H2,1H3


name: Ethylene glycol monomontanate
cas: 73138-45-1
chemspiderid: 2285946
dtxsid: DTXSID80892203
formula: C30H60O3
inchikey: MORHMXPGPOPWQT-UHFFFAOYSA-N
norman_susdat_id: NS00013715
pubchem_cid: 3018404
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCO
inchi:
InChI=1S/C30H60O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-30(32)33-29-28-31/h31H,2-29H2,1H3


name: Perfluorooctane sulfonamido ammonium bromide
cas: 73149-44-7
dtxsid: DTXSID60893293
formula: C14H16BrF17N2O2S
inchikey: QFKCTDSCQRPAOC-UHFFFAOYSA-M
norman_susdat_id: NS00111008
smiles: [Br-].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=1S/C14H16F17N2O2S.BrH/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: 1-[2-(2,4-dichlorophenyl)-2-[[4-(phenylthio)phenyl]methoxy]ethyl]-1H-imidazolium nitrate
cas: 73151-29-8
formula: C24H20Cl2N2OS.HNO3
inchikey: MXQVMHNIUUXDQW-UHFFFAOYSA-O
norman_susdat_id: NS00090078
smiles: [O-][N+](=O)[O-].Clc1ccc(C(C[n+]2cc[nH]c2)OCc3ccc(Sc4ccccc4)cc3)c(Cl)c1
inchi:
InChI=1/C24H20Cl2N2OS.NO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;/q;-1/p+1


name: 1,2-dihydro-6-hydroxy-5-[[4-[4-(isopropyl)benzoyl]phenyl]azo]-4-methyl-2-oxonicotinonitrile
cas: 73157-52-5
dtxsid: DTXSID70888372
formula: C23H20N4O3
inchikey: RWKZJPHHITZEIU-UHFFFAOYSA-N
norman_susdat_id: NS00059423
pubchem_cid: 166405
smiles: N#CC=1C(=O)NC(O)=C(N=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(C)C)C1C
inchi:
InChI=1/C23H20N4O3/c1-13(2)15-4-6-16(7-5-15)21(28)17-8-10-18(11-9-17)26-27-20-14(3)19(12-24)22(29)25-23(20)30/h4-11,13H,1-3H3,(H2,25,29,30)


name: 2-((5-((1-Amino-9,10-dioxo-4-anthryl)amino)-2-methoxyphenyl)sulphonyl)ethyl hydrogen sulphate
cas: 73167-24-5
chemspiderid: 17333512
dtxsid: DTXSID30223422
formula: C23H20N2O9S2
inchikey: XDPWPTVQRHDJAK-UHFFFAOYSA-N
norman_susdat_id: NS00037479
pubchem_cid: 92031813
smiles: COc1c(cc(Nc2c3C(=O)c4ccccc4C(=O)c3c(N)cc2)cc1)S(=O)(=O)CCOS(=O)(=O)O
inchi:
InChI=1S/C23H20N2O9S2/c1-33-18-9-6-13(12-19(18)35(28,29)11-10-34-36(30,31)32)25-17-8-7-16(24)20-21(17)23(27)15-5-3-2-4-14(15)22(20)26/h2-9,12,25H,10-11,24H2,1H3,(H,30,31,32)


cas: 73173-92-9
chebiid: CHEBI:15465
dtxsid: DTXSID80869435
formula: C25H40N7O19P3S
inchikey: MZFOKIKEPGUZEN-AGCMQPJKSA-N
norman_susdat_id: NS00070444
pubchem_cid: 449534
name:
3-{[2-(3-{3-[({[({[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}-2-methyl-3-oxopropanoic acid

inchi:
InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13-,16-,17-,18+,22-/m1/s1

smiles:
C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O


name: 11,15-dimethyl-7,10,13,16,19-pentaoxapentacosane-9,17-diol
cas: 73179-35-8
dtxsid: DTXSID90888374
formula: C22H46O7
inchikey: IUQSQGHDEWZMCR-UHFFFAOYSA-N
norman_susdat_id: NS00059963
pubchem_cid: 175412
smiles: OC(OC(C)COCC(OC(O)COCCCCCC)C)COCCCCCC
inchi:
InChI=1/C22H46O7/c1-5-7-9-11-13-25-17-21(23)28-19(3)15-27-16-20(4)29-22(24)18-26-14-12-10-8-6-2/h19-24H,5-18H2,1-4H3


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phosphinic acid
cas: 731858-13-2
dtxsid: DTXSID10895601
formula: C10H6F17O2P
inchikey: DENBKPDEQGHEGM-UHFFFAOYSA-N
norman_susdat_id: NS00109355
smiles: OP(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F17O2P/c11-3(12,1-2-30(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h30H,1-2H2,(H,28,29)


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)phosphinic acid
cas: 731858-15-4
dtxsid: DTXSID00895630
formula: C12H6F21O2P
inchikey: YDZRIUKPHPDSAY-UHFFFAOYSA-N
norman_susdat_id: NS00108991
smiles: OP(=O)CCC(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/C12H6F21O2P/c13-3(14,1-2-36(34)35)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h36H,1-2H2,(H,34,35)


name: Ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione
cas: 73195-14-9
dtxsid: DTXSID0072724
formula: C28H16N4O3
inchikey: SLSFMTUBMOHAAN-UHFFFAOYSA-N
norman_susdat_id: NS00061073
pubchem_cid: NA
smiles: O=C1C2=CC=C3C(=O)N4C(=NC=5C(OCC)=CC=CC54)C=6C=CC(C7=NC=8C=CC=CC8N17)=C2C36
inchi:
InChI=1/C28H16N4O3/c1-2-35-21-9-5-8-20-24(21)30-26-15-11-10-14-22-16(12-13-17(23(15)22)28(34)32(20)26)27(33)31-19-7-4-3-6-18(19)29-25(14)31/h3-13H,2H2,1H3


name: Ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione
cas: 73195-15-0
dtxsid: DTXSID5072725
formula: C28H16N4O3
inchikey: KFPCYEVOZYWCGT-UHFFFAOYSA-N
norman_susdat_id: NS00059424
pubchem_cid: NA
smiles: O=C1C2=CC=C3C4=NC=5C=CC=C(OCC)C5N4C(=O)C=6C=CC(C7=NC=8C=CC=CC8N17)=C2C63
inchi:
InChI=1/C28H16N4O3/c1-2-35-21-9-5-7-19-24(21)32-26(30-19)15-11-12-16-22-14(10-13-17(23(15)22)28(32)34)25-29-18-6-3-4-8-20(18)31(25)27(16)33/h3-13H,2H2,1H3


name: (S)-2-amino-4-methyl-N-2-naphthylvaleramide
cas: 732-85-4
dtxsid: DTXSID20993920
formula: C16H20N2O
inchikey: JWHURRLUBVMKOT-UHFFFAOYSA-N
norman_susdat_id: NS00042583
pubchem_cid: 416927
smiles: O=C(NC=1C=CC=2C=CC=CC2C1)C(N)CC(C)C
inchi:
InChI=1/C16H20N2O/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19)


name: Bis[N-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide] fumarate
cas: 73210-73-8
formula: C16H25N3O5
inchikey: QEDVGROSOZBGOZ-WXXKFALUSA-N
norman_susdat_id: NS00061104
pubchem_cid: 6440459
smiles: O=C(O)C=CC(=O)O.O=C(NCCNCC(O)COC1=CC=C(O)C=C1)N2CCOCC2.O=C(NCCNCC(O)COC1=CC=C(O)C=C1)N2CCOCC2
inchi:
InChI=1/2C16H25N3O5.C4H4O4/c2*20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19;5-3(6)1-2-4(7)8/h2*1-4,14,17,20-21H,5-12H2,(H,18,22);1-2H,(H,5,6)(H,7,8)


cas: 73215-38-0
dtxsid: DTXSID40993942
formula: C43H50N3O6S2
inchikey: FTDZTBPXTOGTDS-UHFFFAOYSA-N
norman_susdat_id: NS00061121
pubchem_cid: NA
name:
Hydrogen [4-[[4-(diethylamino)phenyl][4-[ethyl(sulphonatobenzyl)amino]-o-tolyl]methylene]-3-methylcyclohexa-2,5-dien-1-ylidene](ethyl)(sulphonatobenzyl)ammonium

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

smiles:
[H+].O=S(=O)([O-])C=1C=CC=CC1CN(C2=CC=C(C(=C2)C)C(C3=CC=C(C=C3)N(CC)CC)=C4C=CC(C=C4C)=[N+](CC=5C=CC=CC5S(=O)(=O)[O-])CC)CC


name: Givinostat
cas: 732302-99-7
chebiid: CHEBI:94187
dtxsid: DTXSID70198049
formula: C24H27N3O4
inchikey: YALNUENQHAQXEA-UHFFFAOYSA-N
norman_susdat_id: NS00069327
pubchem_cid: 9804992
smiles: CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1
inchi:
InChI=1S/C24H27N3O4/c1-3-27(4-2)15-17-5-7-21-14-18(6-8-20(21)13-17)16-31-24(29)25-22-11-9-19(10-12-22)23(28)26-30/h5-14,30H,3-4,15-16H2,1-2H3,(H,25,29)(H,26,28)


name: SODIUM ISOSTEAROYL LACTATE
cas: 73231-04-6
chemspiderid: 137219
formula: C21H40O4
inchikey: DYLRTDOADWSXOU-UHFFFAOYSA-N
norman_susdat_id: NS00014061
pubchem_cid: 155780
smiles: [Na+].CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C([O-])=O
inchi:
InChI=1S/C21H40O4.Na/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(22)25-19(3)21(23)24;/h18-19H,4-17H2,1-3H3,(H,23,24);/q;+1/p-1


name: Florfenicol
cas: 73231-34-2
chebiid: CHEBI:87185
chemspiderid: 102776
dtxsid: DTXSID9045500
formula: C12H14Cl2F1N1O4S1
inchikey: AYIRNRDRBQJXIF-NXEZZACHSA-N
norman_susdat_id: NS00009622
pubchem_cid: 114811
smiles: CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl
inchi:
InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1


name: (5a)-4,5-epoxy-3,14-dihydroxy-17-(2-propynyl)morphinan-6-one
cas: 73232-47-0
dtxsid: DTXSID30993976
formula: C19H19NO4
inchikey: MFALFAQOKNGPMZ-GRGSLBFTSA-N
norman_susdat_id: NS00059471
pubchem_cid: 5492741
smiles: O=C1CCC2(O)C3N(CC#C)CCC42C5=C(OC14)C(O)=CC=C5C3
inchi:
InChI=1/C19H19NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h1,3-4,14,17,21,23H,5-10H2


name: Methylnaltrexone
cas: 73232-52-7
chebiid: CHEBI:136007
chemspiderid: 4514884
formula: C21H26N1O4
inchikey: JVLBPIPGETUEET-GAAHOAFPSA-O
norman_susdat_id: NS00006486
pubchem_cid: 5361918
smiles: C[N+]1(CC2CC2)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
inchi:
InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1


name: Benzyl (Z,Z)-8,8-dibutyl-3,6,10-trioxo-1-phenyl-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate
cas: 7324-74-5
formula: C30H36O8Sn
inchikey: TUALPPJDVFLVNQ-KUAKSMGGSA-L
norman_susdat_id: NS00044182
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC=2C=CC=CC2)(CCCC)CCCC
inchi:
InChI=1/2C11H10O4.2C4H9.Sn/c2*12-10(13)6-7-11(14)15-8-9-4-2-1-3-5-9;2*1-3-4-2;/h2*1-7H,8H2,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H36O8Sn/c1-3-5-21-39(22-6-4-2,37-29(33)19-17-27(31)35-23-25-13-9-7-10-14-25)38-30(34)20-18-28(32)36-24-26-15-11-8-12-16-26/h7-20H,3-6,21-24H2,1-2H3


name: Dodecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate
cas: 7324-77-8
formula: C48H88O8Sn
inchikey: OWDPVSGEPJRRNV-NUJFUEHTSA-L
norman_susdat_id: NS00044097
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C16H28O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-5-7-8-6-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H88O8Sn/c1-5-9-13-17-21-23-25-27-29-33-41-53-45(49)37-39-47(51)55-57(43-35-31-19-15-11-7-3,44-36-32-20-16-12-8-4)56-48(52)40-38-46(50)54-42-34-30-28-26-24-22-18-14-10-6-2/h37-40H,5-36,41-44H2,1-4H3


name: 1-methylpropane-1,3-diyl disalicylate
cas: 73240-13-8
dtxsid: DTXSID90868237
formula: C18H18O6
inchikey: OMFBXHAUAOPTIE-UHFFFAOYSA-N
norman_susdat_id: NS00059472
pubchem_cid: 44149101
smiles: O=C(OCCC(OC(=O)C=1C=CC=CC1O)C)C=2C=CC=CC2O
inchi:
InChI=1/C18H18O6/c1-12(24-18(22)14-7-3-5-9-16(14)20)10-11-23-17(21)13-6-2-4-8-15(13)19/h2-9,12,19-20H,10-11H2,1H3


name: Curamycin A
cas: 73240-30-9
chemspiderid: 28533734
dtxsid: DTXSID40223473
formula: C59H84Cl2O32
inchikey: VVIAOPGTVSECTI-UHFFFAOYSA-N
norman_susdat_id: NS00040606
pubchem_cid: 71587265
inchi:
InChI=1S/C59H84Cl2O32/c1-20-34(45(73-12)36(61)37(66)35(20)60)52(69)85-40-21(2)78-32(14-28(40)64)83-41-23(4)88-57(15-29(41)65)92-49-24(5)79-33(16-56(49,9)93-57)84-46-39(68)53(80-22(3)42(46)72-11)86-43-30(17-71-10)82-55(47(74-13)38(43)67)87-54-48(81-27(8)63)44-31(18-75-54)90-59(91-44)51-50(76-19-77-51)58(70,25(6)62)26(7)89-59/h21-24,26,28-33,38-44,46-51,53-55,64-68,70H,14-19H2,1-13H3

smiles:
COCC1OC(OC2OCC3OC4(OC3C2OC(C)=O)OC(C)C(O)(C2OCOC42)C(C)=O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC3(C)OC4(CC(O)C(OC5CC(O)C(OC(=O)c6c(C)c(Cl)c(O)c(Cl)c6OC)C(C)O5)C(C)O4)OC3C(C)O2)C1O


name: Dodecyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate
cas: 73246-85-2
dtxsid: DTXSID80223477
formula: C44H88O4S2Sn
inchikey: KJVWFJPPXNGPTJ-UHFFFAOYSA-L
norman_susdat_id: NS00061122
pubchem_cid: 20078831
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C14H28O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-5-7-8-6-4-2;/h2*17H,2-13H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H88O4S2Sn/c1-5-9-13-17-21-23-25-27-29-33-37-47-43(45)41-49-51(39-35-31-19-15-11-7-3,40-36-32-20-16-12-8-4)50-42-44(46)48-38-34-30-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3


name: Chlorodioctylaluminium
cas: 7325-26-0
formula: C16H34AlCl
inchikey: QRQUTSPLBBZERR-UHFFFAOYSA-M
norman_susdat_id: NS00081318
smiles: CCCCCCCC[Al](Cl)CCCCCCCC
inchi:
InChI=1/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q;;+1;/p-1/rC16H34AlCl/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: Docosyltrichlorosilane
cas: 7325-84-0
chebiid: CHEBI:84275
dtxsid: DTXSID30873269
formula: C22H45Cl3Si
inchikey: ADBSXCRGUFFLBC-UHFFFAOYSA-N
norman_susdat_id: NS00044607
pubchem_cid: 81761
smiles: Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H45Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24)25/h2-22H2,1H3


name: Mefenacet
cas: 73250-68-7
chebiid: CHEBI:34830
chemspiderid: 82816
dtxsid: DTXSID7058173
formula: C16H14N2O2S1
inchikey: XIGAUIHYSDTJHW-UHFFFAOYSA-N
norman_susdat_id: NS00000165
pubchem_cid: 91716
smiles: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
inchi:
InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3


name: 1,3-bis[2-[(2-aminobenzoyl)oxy]ethyl]-5,5-dimethylimidazolidine-2,4-dione
cas: 73253-44-8
dtxsid: DTXSID60993989
formula: C23H26N4O6
inchikey: DKCHNRMHCRZPJP-UHFFFAOYSA-N
norman_susdat_id: NS00059473
pubchem_cid: 3018408
smiles: O=C(OCCN1C(=O)N(CCOC(=O)C=2C=CC=CC2N)C(C1=O)(C)C)C=3C=CC=CC3N
inchi:
InChI=1/C23H26N4O6/c1-23(2)21(30)26(11-13-32-19(28)15-7-3-5-9-17(15)24)22(31)27(23)12-14-33-20(29)16-8-4-6-10-18(16)25/h3-10H,11-14,24-25H2,1-2H3


name: Sodium 2,3-dihydro-2-methyl-6-(methylamino)-1,3-dioxo-1H-benz[de]isoquinoline-5-sulphonate
cas: 73263-39-5
dtxsid: DTXSID90888379
formula: C14H12N2O5S
inchikey: CFCKKFCQAPDPGN-UHFFFAOYSA-M
norman_susdat_id: NS00059474
pubchem_cid: 166408
smiles: [Na+].O=C1C2=CC=CC=3C(NC)=C(C=C(C(=O)N1C)C23)S(=O)(=O)[O-]
inchi:
InChI=1/C14H12N2O5S.Na/c1-15-12-7-4-3-5-8-11(7)9(6-10(12)22(19,20)21)14(18)16(2)13(8)17;/h3-6,15H,1-2H3,(H,19,20,21);/q;+1/p-1


cas: 73263-40-8
chemspiderid: 4802680
dtxsid: DTXSID40891070
formula: C17H13Cl1N2O4S1
inchikey: UWIVELAIPAIXQN-JZJYNLBNSA-N
norman_susdat_id: NS00003959
pubchem_cid: 6085493
smiles: Cc1cc(NN=C2/C(=O)C=Cc3ccccc23)c(cc1Cl)S(O)(=O)=O
name:
Benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, strontium salt (2:1)

inchi:
InChI=1S/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,19H,1H3,(H,22,23,24)/b20-17-


cas: 73264-44-5
inchikey: XISWAUUBQBEDFB-QRDGSJRXSA-F
norman_susdat_id: NS00078634
name:
octapotassium [(2R,3R,4S,5S)-3,4-bis(sulfonatooxy)-5-[(sulfonatooxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(sulfonatooxy)-6-[(sulfonatooxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl sulfate

smiles:
S(=O)(=O)(OC[C@H]1O[C@]([C@H]([C@@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])(O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]


name: N-(5-(Diethylamino)-2-((5-nitro-2-thiazolyl)azo)phenyl)acetamide
cas: 73264-50-3
chemspiderid: 2285952
dtxsid: DTXSID50223489
formula: C15H18N6O3S1
inchikey: OYAJYUJMSRXRPW-VHEBQXMUSA-N
norman_susdat_id: NS00037486
pubchem_cid: NA
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1ncc(s1)[N+](=O)[O-]
inchi:
InChI=1S/C15H18N6O3S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)22)18-19-15-16-9-14(25-15)21(23)24/h6-9H,4-5H2,1-3H3,(H,17,22)/b19-18+


name: Amisulpride-met 46 -721
cas: 73269-30-4
chemspiderid: NA
formula: C29H43N3O16S1
inchikey: JHAUJIIDYNMWGE-UHFFFAOYSA-N
norman_susdat_id: NS00000755
pubchem_cid: NA
smiles: S(=O)(c1c(NC3OC(C(O)=O)C(O)C(C3OC4OC(C(O)=O)C(O)C(O)C4O)O)cc(OC)c(C(NCC2N(CC)CCC2)=O)c1)(CC)=O
inchi:
InChI=1S/C29H43N3O16S/c1-4-32-8-6-7-12(32)11-30-25(38)13-9-16(49(43,44)5-2)14(10-15(13)45-3)31-26-22(19(35)20(36)23(46-26)27(39)40)47-29-21(37)17(33)18(34)24(48-29)28(41)42/h9-10,12,17-24,26,29,31,33-37H,4-8,11H2,1-3H3,(H,30,38)(H,39,40)(H,41,42)


name: Dihydralazine sulphate
cas: 7327-87-9
formula: C8H10N6.H2O4S
inchikey: BWHAMWGGORIDBK-UHFFFAOYSA-N
norman_susdat_id: NS00081050
smiles: NNc1nnc(NN)c2ccccc12.OS(=O)(=O)O
inchi:
InChI=1/C8H10N6.H2O4S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)


cas: 73275-59-9
dtxsid: DTXSID80882780
norman_susdat_id: NS00111670
name:
2-Propenoic acid, 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-butoxypoly[oxy(methyl-1,2-ethanediyl)]


cas: 73275-65-7
chemspiderid: 152863
dtxsid: DTXSID0072728
formula: C22H28N6O10S1
inchikey: ODIFKPQLBOSKKI-UHFFFAOYSA-N
norman_susdat_id: NS00037487
pubchem_cid: 175427
smiles: CCOC(=O)OCCN(CCOC(=O)OCC)c1cc(NC(=O)C)c(cc1OC)N=Nc1ncc(s1)[N+](=O)[O-]
name:
2,8,10-Trioxa-5-azadodecanoic acid, 5-[5-(acetylamino)-2-methoxy-4-[(5-nitro-2-thiazolyl)azo]phenyl]-9-oxo-, ethyl ester

inchi:
InChI=1S/C22H28N6O10S/c1-5-35-21(30)37-9-7-27(8-10-38-22(31)36-6-2)17-11-15(24-14(3)29)16(12-18(17)34-4)25-26-20-23-13-19(39-20)28(32)33/h11-13H,5-10H2,1-4H3,(H,24,29)/b26-25+


cas: 73275-66-8
chemspiderid: 152864
dtxsid: DTXSID5072729
formula: C21H26N6O9S1
inchikey: PXARMKRMYSIPIY-UHFFFAOYSA-N
norman_susdat_id: NS00037488
pubchem_cid: 175428
smiles: CCOC(=O)OCCN(CCOC(=O)OCC)c1ccc(N=Nc2ncc(s2)[N+](=O)[O-])c(NC(=O)C)c1
name:
2,8,10-Trioxa-5-azadodecanoic acid, 5-[3-(acetylamino)-4-[(5-nitro-2-thiazolyl)azo]phenyl]-9-oxo-, ethyl ester

inchi:
InChI=1S/C21H26N6O9S/c1-4-33-20(29)35-10-8-26(9-11-36-21(30)34-5-2)15-6-7-16(17(12-15)23-14(3)28)24-25-19-22-13-18(37-19)27(31)32/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,23,28)


name: N-ethylcarbazole-3-carbaldehyde diphenylhydrazone
cas: 73276-70-7
dtxsid: DTXSID70904920
formula: C27H23N3
inchikey: CEAPHJPESODIQL-UHFFFAOYSA-N
norman_susdat_id: NS00061124
pubchem_cid: 175429
smiles: N(=CC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)N(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C27H23N3/c1-2-29-26-16-10-9-15-24(26)25-19-21(17-18-27(25)29)20-28-30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20H,2H2,1H3


name: Disodium 4-decyl 2-sulphonatosuccinate
cas: 7328-38-3
dtxsid: DTXSID10994002
formula: C14H26O7S
inchikey: KLMGYAAHDXFWTL-UHFFFAOYSA-L
norman_susdat_id: NS00044663
pubchem_cid: 11970349
smiles: [Na+].[Na+].O=C(OCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H26O7S.2Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);;/q;2*+1/p-2


name: 1,1,2,2-(4,4',4'',4'''-Tetraglycidyloxyphenyl)ethane
cas: 7328-97-4
chemspiderid: 56384
dtxsid: DTXSID8029286
formula: C38H38O8
inchikey: HDDQXUDCEIMISH-UHFFFAOYNA-N
norman_susdat_id: NS00020346
pubchem_cid: NA
smiles: C(Oc1ccc(cc1)C(C(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1)C1CO1
inchi:
InChI=1S/C38H38O8/c1-9-29(39-17-33-21-43-33)10-2-25(1)37(26-3-11-30(12-4-26)40-18-34-22-44-34)38(27-5-13-31(14-6-27)41-19-35-23-45-35)28-7-15-32(16-8-28)42-20-36-24-46-36/h1-16,33-38H,17-24H2/t33-,34-,35-,36+,38-/m0/s1


name: 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]benzene-1,3-disulphonic acid
cas: 73280-79-2
formula: C15H14N4O8S2
inchikey: GUSVOAPXYDAHPH-UHFFFAOYSA-N
norman_susdat_id: NS00061125
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C1C)CC
inchi:
InChI=1/C15H14N4O8S2/c1-3-19-14(20)10(7-16)8(2)13(15(19)21)18-17-11-5-4-9(28(22,23)24)6-12(11)29(25,26)27/h4-6,21H,3H2,1-2H3,(H,22,23,24)(H,25,26,27)


name: Disodium 5-[(2-hydroxy-5-methylphenyl)azo]-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate
cas: 73281-07-9
formula: C21H18N3O9S2
inchikey: OUYPBVXIWGMYEI-BLUOJXCYSA-L
norman_susdat_id: NS00060011
pubchem_cid: 135755621
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC3=CC(=CC=C3O)C)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C21H17N3O9S2.2Na/c1-13-2-9-19(25)18(10-13)23-22-16-7-5-14(20(11-16)34(28,29)30)3-4-15-6-8-17(24(26)27)12-21(15)35(31,32)33;;/h2-12,25H,1H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 73287-37-3
formula: C22H37NO5
norman_susdat_id: NS00101354
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-[(carboxymethyl)(2-hydroxyethyl)amino]-2-hydroxypropyl]-.omega.-(4-nonylphenoxy)-, monosodium salt


cas: 73287-50-0
dtxsid: DTXSID9072731
formula: C22H27ClN4O3S
inchikey: QRFVBXOPHHOXDH-UHFFFAOYSA-N
norman_susdat_id: NS00060051
pubchem_cid: 175436
smiles: O=CO.O=C(NCCN(C)C)CCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
name:
Formic acid, compound with 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N-[2-(dimethylamino)ethyl]propionamide (1:1)

inchi:
InChI=1/C22H27ClN4O3S.CH2O2/c1-26(2)15-13-24-22(28)12-16-31(29,30)20-9-7-19(8-10-20)27-14-11-21(25-27)17-3-5-18(23)6-4-17;2-1-3/h3-10H,11-16H2,1-2H3,(H,24,28);1H,(H,2,3)


name: 6-amino-5-[[2-[(decylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 73287-51-1
dtxsid: DTXSID4072732
formula: C26H34N4O6S2
inchikey: BRIXFSJPRLWHBH-UHFFFAOYSA-N
norman_susdat_id: NS00059475
pubchem_cid: 166409
smiles: O=S(=O)(O)C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)NCCCCCCCCCC)=C1
inchi:
InChI=1/C26H34N4O6S2/c1-2-3-4-5-6-7-8-11-16-28-37(32,33)24-13-10-9-12-22(24)29-30-26-21(27)15-14-19-17-20(38(34,35)36)18-23(31)25(19)26/h9-10,12-15,17-18,28,31H,2-8,11,16,27H2,1H3,(H,34,35,36)


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(6-bromo-2-benzothiazolyl)azo]phenyl]-
cas: 73287-54-4
chemspiderid: 152873
dtxsid: DTXSID9072735
formula: C23H24Br1N5O5S1
inchikey: VVDSYYZNKFUVAG-UHFFFAOYSA-N
norman_susdat_id: NS00037493
pubchem_cid: 175439
smiles: CC(=O)Nc1cc(ccc1N=Nc1nc2c(s1)cc(Br)cc2)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C23H24BrN5O5S/c1-14(30)25-21-13-18(29(8-10-33-15(2)31)9-11-34-16(3)32)5-7-19(21)27-28-23-26-20-6-4-17(24)12-22(20)35-23/h4-7,12-13H,8-11H2,1-3H3,(H,25,30)/b28-27+


name: 2-(4-bromo-3-hydroxy-2-quinolyl)-N,N-diethyl-2,3-dihydro-1,3-dioxo-1H-indene-5-carboxamide
cas: 73287-55-5
dtxsid: DTXSID20868240
formula: C23H19BrN2O4
inchikey: BUFKXMCKNWZUMN-UHFFFAOYSA-N
norman_susdat_id: NS00060052
pubchem_cid: 166411
smiles: O=C(C1=CC=C2C(=O)C(C(=O)C2=C1)C3=NC=4C=CC=CC4C(Br)=C3O)N(CC)CC
inchi:
InChI=1/C23H19BrN2O4/c1-3-26(4-2)23(30)12-9-10-13-15(11-12)21(28)17(20(13)27)19-22(29)18(24)14-7-5-6-8-16(14)25-19/h5-11,17,29H,3-4H2,1-2H3


cas: 73287-56-6
dtxsid: DTXSID30890335
formula: C34H28N6O13S3
inchikey: DURNEGVWCIRANQ-UHFFFAOYSA-K
norman_susdat_id: NS00060053
pubchem_cid: NA
name:
Trisodium 5-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H28N6O13S3.3Na/c1-52-26-11-16(3-7-24(26)37-39-31-28(55(46,47)48)13-18-9-20(35)5-6-22(18)33(31)41)17-4-8-25(27(12-17)53-2)38-40-32-29(56(49,50)51)14-19-10-21(54(43,44)45)15-23(36)30(19)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N)=C2C(O)=C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])C(OC)=C4)C(=CC2=C1)S(=O)(=O)[O-]


cas: 73287-57-7
dtxsid: DTXSID4072736
formula: C35H14Cl2N2O5
inchikey: LHIDYMXUHZHLSG-UHFFFAOYSA-N
norman_susdat_id: NS00060100
pubchem_cid: 175442
smiles: O=C1C=2C=CC=CC2C(=O)C3=C1C=CC4=C3NC=5C=6C(=O)C=7C=CC=CC7C(=O)C6C=8NC=9C(Cl)=CC(Cl)=CC9C(=O)C8C45
name:
7,9-dichloro-6,20-dihydro-5H-naphtho[2,3-c]naphth[2',3':6,7]indolo[3,2-a]acridine-5,11,14,19,21-pentone

inchi:
InChI=1/C35H14Cl2N2O5/c36-13-11-20-27(21(37)12-13)38-30-24(35(20)44)22-18-9-10-19-23(32(41)15-6-2-1-5-14(15)31(19)40)28(18)39-29(22)25-26(30)34(43)17-8-4-3-7-16(17)33(25)42/h1-12,39H,(H,38,44)


cas: 73287-63-5
dtxsid: DTXSID40888384
formula: C17H18Cl2N6O5S
inchikey: MGTRKZUVMFKZRD-UHFFFAOYSA-M
norman_susdat_id: NS00060058
pubchem_cid: 166415
smiles: [Na+].N#CC1=C(N=C(NCCO)C(N=NC2=CC(Cl)=C(C=C2Cl)S(=O)(=O)[O-])=C1C)NCCO
name:
Sodium 2,5-dichloro-4-[[5-cyano-2,6-bis[(2-hydroxyethyl)amino]-4-methyl-3-pyridyl]azo]benzenesulphonate

inchi:
InChI=1/C17H18Cl2N6O5S.Na/c1-9-10(8-20)16(21-2-4-26)23-17(22-3-5-27)15(9)25-24-13-6-12(19)14(7-11(13)18)31(28,29)30;/h6-7,26-27H,2-5H2,1H3,(H2,21,22,23)(H,28,29,30);/q;+1/p-1


name: 4-hydroxy-1-methyl-3-[[4-(phenylazo)phenyl]azo]-2-quinolone
cas: 73287-67-9
dtxsid: DTXSID9072737
formula: C22H17N5O2
inchikey: DPCODSAZAZCDLC-UHFFFAOYSA-N
norman_susdat_id: NS00060101
pubchem_cid: 135623862
smiles: O=C1C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)=C(O)C=4C=CC=CC4N1C
inchi:
InChI=1/C22H17N5O2/c1-27-19-10-6-5-9-18(19)21(28)20(22(27)29)26-25-17-13-11-16(12-14-17)24-23-15-7-3-2-4-8-15/h2-14,28H,1H3


cas: 73297-02-6
dtxsid: DTXSID80890284
formula: C30H22ClN7O10S3
inchikey: WPUIWMHDFJHKBE-UHFFFAOYSA-K
norman_susdat_id: NS00060102
pubchem_cid: NA
name:
Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H22ClN7O10S3.3Na/c1-38(18-8-3-2-4-9-18)30-34-28(31)33-29(35-30)32-22-15-19(49(40,41)42)13-17-14-23(50(43,44)45)25(26(39)24(17)22)37-36-21-12-11-16-7-5-6-10-20(16)27(21)51(46,47)48;;;/h2-15,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)[O-])C(O)=C2C(=C1)NC5=NC(Cl)=NC(=N5)N(C=6C=CC=CC6)C)S(=O)(=O)[O-]


name: Tetraethylammonium p-toluenesulphonate
cas: 733-44-8
formula: C8H20N.C7H7O3S
inchikey: QKFFSWPNFCXGIQ-UHFFFAOYSA-M
norman_susdat_id: NS00079645
smiles: CC[N+](CC)(CC)CC.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 5,5'-Methylenedianthranilic acid
cas: 7330-46-3
chemspiderid: 72656
dtxsid: DTXSID60223536
formula: C15H14N2O4
inchikey: QRUWUSOUUMPANJ-UHFFFAOYSA-N
norman_susdat_id: NS00037497
pubchem_cid: 80444
smiles: Nc1ccc(Cc2cc(C(=O)O)c(N)cc2)cc1C(=O)O
inchi:
InChI=1S/C15H14N2O4/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7H,5,16-17H2,(H,18,19)(H,20,21)


name: 2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl hydrogen sulphate
cas: 73301-95-8
formula: C20H18N2O6S
inchikey: DUIKFSGXLFVAMD-UHFFFAOYSA-N
norman_susdat_id: NS00090143
smiles: Oc2ccc(cc2N=Nc1ccc(OCCOS(O)(=O)=O)cc1)c3ccccc3
inchi:
InChI=1/C20H18N2O6S/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26/h1-11,14,23H,12-13H2,(H,24,25,26)


name: 4-(6-Methyl(2,6':2',6''-terbenzothiazol)-2''-yl)aniline
cas: 73302-00-8
chemspiderid: 34996988
dtxsid: DTXSID20223537
formula: C28H18N4S3
inchikey: GEPCUGWTRJLRBV-UHFFFAOYSA-N
norman_susdat_id: NS00037495
pubchem_cid: 44146262
smiles: Cc1cc2c(cc1)nc(s2)c1cc2c(cc1)nc(s2)c1cc2c(cc1)nc(s2)c1ccc(N)cc1
inchi:
InChI=1S/C28H18N4S3/c1-15-2-9-20-23(12-15)33-27(31-20)17-6-11-22-25(14-17)35-28(32-22)18-5-10-21-24(13-18)34-26(30-21)16-3-7-19(29)8-4-16/h2-14H,29H2,1H3


name: Diazepinomicin
cas: 733035-26-2
chebiid: CHEBI:156321
dtxsid: DTXSID40223539
formula: C28H34N2O4
inchikey: SALVHVNECODMJP-GNUCVDFRSA-N
norman_susdat_id: NS00069618
pubchem_cid: 9868980
smiles: CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)c2cccc(O)c2Nc2c(O)cc(O)cc21
inchi:
InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+


cas: 73304-29-7
dtxsid: DTXSID30994024
formula: C35H35N3O12
inchikey: RESQEYQRUVHAAG-YOFKTBMVSA-N
norman_susdat_id: NS00060103
pubchem_cid: 44148088
smiles: O=C1OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C=CC2C=C1C(=O)NCCCCOC=4C=CC=CC4C5(NC(=O)NC5=O)C=6C=CC=CC6
name:
N-[4-[2-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]butyl]-7-(ß-D-galactopyranosyloxy)-2-oxo-2H-1-benzopyran-3-carboxamide

inchi:
InChI=1/C35H35N3O12/c39-18-26-27(40)28(41)29(42)32(50-26)48-21-13-12-19-16-22(31(44)49-25(19)17-21)30(43)36-14-6-7-15-47-24-11-5-4-10-23(24)35(20-8-2-1-3-9-20)33(45)37-34(46)38-35/h1-5,8-13,16-17,26-29,32,39-42H,6-7,14-15,18H2,(H,36,43)(H2,37,38,45,46)


cas: 73309-46-3
formula: C39H44N3O.Cl
inchikey: HLSSMVIOSHNMBX-UHFFFAOYSA-N
norman_susdat_id: NS00090144
smiles: [Cl-].CCOc1ccc(Nc2ccc(C(=C3C=CC(=[N+](CC)CC)C=C3)c4ccc(cc4)N(CC)CC)c5ccccc25)cc1
name:
[4-[[4-(diethylamino)phenyl][4-[(4-ethoxyphenyl)amino]-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride

inchi:
InChI=1/C39H43N3O.ClH/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;1H


name: Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate
cas: 73309-47-4
dtxsid: DTXSID00890286
formula: C26H18N4O8S2
inchikey: XWZDSUWTMPTODR-UHFFFAOYSA-L
norman_susdat_id: NS00060104
pubchem_cid: 166420
inchi:
InChI=1/C26H18N4O8S2.2Na/c31-23-14-24(32)22(30-28-20-10-12-26(40(36,37)38)18-8-4-2-6-16(18)20)13-21(23)29-27-19-9-11-25(39(33,34)35)17-7-3-1-5-15(17)19;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C(O)=CC2O)C=5C=CC=CC51


cas: 73309-50-9
dtxsid: DTXSID10867843
formula: C23H19N3O6S
inchikey: VZGFNDJGSOQWRP-UHFFFAOYSA-N
norman_susdat_id: NS00060059
pubchem_cid: 166085
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C(=C4)NC(=O)C)C
name:
4-[[3-(acetylamino)-4-methylphenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1/C23H19N3O6S/c1-11-7-8-13(9-16(11)25-12(2)27)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)14-5-3-4-6-15(14)23(20)29/h3-10,26H,24H2,1-2H3,(H,25,27)(H,30,31,32)


name: Sodium diethyl 2-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo]terephthalate
cas: 73309-51-0
formula: C22H21N3O8S
inchikey: OGANMMJCDWWWJR-UHFFFAOYSA-M
norman_susdat_id: NS00059501
pubchem_cid: 175458
smiles: [Na+].O=C(OCC)C1=CC=C(C(=O)OCC)C(N=NC2=C(N)C=CC3=CC(=CC(O)=C23)S(=O)(=O)[O-])=C1
inchi:
InChI=1/C22H21N3O8S.Na/c1-3-32-21(27)13-5-7-15(22(28)33-4-2)17(10-13)24-25-20-16(23)8-6-12-9-14(34(29,30)31)11-18(26)19(12)20;/h5-11,26H,3-4,23H2,1-2H3,(H,29,30,31);/q;+1/p-1


name: Propanoic acid, 2-methyl-, 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl ester
cas: 73309-52-1
chemspiderid: 152880
dtxsid: DTXSID3072743
formula: C22H22N6O4
inchikey: GNYGWUKVNULGTI-UHFFFAOYSA-N
norman_susdat_id: NS00037499
pubchem_cid: 175459
smiles: CC(C)C(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C22H22N6O4/c1-16(2)22(29)32-13-12-27(11-3-10-23)19-6-4-18(5-7-19)25-26-21-9-8-20(28(30)31)14-17(21)15-24/h4-9,14,16H,3,11-13H2,1-2H3/b26-25+


name: Myo-inositol hexanitrate
cas: 7332-16-3
dtxsid: DTXSID80994039
formula: C6H12N6O18
inchikey: VAASRZPDHFMMMC-GPIVLXJGSA-N
norman_susdat_id: NS00043669
pubchem_cid: NA
smiles: O=[N+]([O-])OC1C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C1O[N+](=O)[O-]
inchi:
InChI=1/C6H6N6O18/c13-7(14)25-1-2(26-8(15)16)4(28-10(19)20)6(30-12(23)24)5(29-11(21)22)3(1)27-9(17)18/h1-6H


name: Tris[2-(2-butoxyethoxy)ethyl] phosphate
cas: 7332-46-9
formula: C24H51O10P
inchikey: YETJDUSSMZWBME-UHFFFAOYSA-N
norman_susdat_id: NS00044193
pubchem_cid: 81779
smiles: O=P(OCCOCCOCCCC)(OCCOCCOCCCC)OCCOCCOCCCC
inchi:
InChI=1/C24H51O10P/c1-4-7-10-26-13-16-29-19-22-32-35(25,33-23-20-30-17-14-27-11-8-5-2)34-24-21-31-18-15-28-12-9-6-3/h4-24H2,1-3H3


name: Cyclohexyltriphenylphosphonium bromide
cas: 7333-51-9
dtxsid: DTXSID40994055
formula: C24H26P
inchikey: QRAKRDZMIONMRZ-UHFFFAOYSA-M
norman_susdat_id: NS00043670
pubchem_cid: 2724861
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C4CCCCC4
inchi:
InChI=1/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1


name: Propane-1,3-diylbis[triphenylphosphonium] dibromide
cas: 7333-67-7
formula: C39H36P2
inchikey: VHCYVFIHNUYVHU-UHFFFAOYSA-L
norman_susdat_id: NS00043724
pubchem_cid: 2795061
smiles: [Br-].[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCC[P+](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C39H36P2.2BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;;/h1-18,20-31H,19,32-33H2;2*1H/q+2;;/p-2


name: Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
cas: 7333-86-0
chemspiderid: 73797
dtxsid: DTXSID5064629
formula: C27H45N1O3
inchikey: FGGAQLDNXCMZJL-UHFFFAOYSA-N
norman_susdat_id: NS00020347
pubchem_cid: 81781
smiles: CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
inchi:
InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)


name: Iopromide
cas: 73334-07-3
chebiid: CHEBI:63578
chemspiderid: 3605
dtxsid: DTXSID0023163
formula: C18H24I3N3O8
inchikey: DGAIEPBNLOQYER-UHFFFAOYSA-N
norman_susdat_id: NS00000230
pubchem_cid: 3736
smiles: CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I
inchi:
InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)


name: Pentapotassium N,N-bis[2-[bis(2-carboxyethyl)amino]ethyl]-ß-alaninate
cas: 73338-66-6
dtxsid: DTXSID70223567
formula: C19H33N3O10
inchikey: CWXKZGWRWLPDQG-UHFFFAOYSA-I
norman_susdat_id: NS00066778
pubchem_cid: 13931114
inchi:
InChI=1/5C19H33N3O10.5K/c5*23-15(24)1-6-20(7-2-16(25)26)11-13-22(10-5-19(31)32)14-12-21(8-3-17(27)28)9-4-18(29)30;;;;;/h5*1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);;;;;/q;;;;;5*+1/p-5

smiles:
[K+].[K+].[K+].[K+].[K+].O=C([O-])CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O.O=C([O-])CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O.O=C([O-])CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O.O=C([O-])CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O.O=C([O-])CCN(CCN(CCC(=O)O)CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O


name: Disodium 1,4-dihydroanthracene-9,10-diolate
cas: 73347-80-5
formula: C14H12O2.2Na
inchikey: YTHBSUMSWZZXCB-UHFFFAOYSA-L
norman_susdat_id: NS00089852
smiles: [Na+].[Na+].[O-]c1c2CC=CCc2c([O-])c3ccccc13
inchi:
InChI=1/C14H12O2.2Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;/h1-6,15-16H,7-8H2;;/q;2*+1/p-2


name: N,N-dibutyl-2,4,8,10-tetra-tert-butyldibenzo[d,f][1,3,2]dioxaphosphepin-6-amine
cas: 73348-53-5
dtxsid: DTXSID80223593
formula: C36H58NO2P
inchikey: DNHKMKNEVOOJMY-UHFFFAOYSA-N
norman_susdat_id: NS00059547
pubchem_cid: 20481433
smiles: O1C2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C=3C=C(C=C(C3OP1N(CCCC)CCCC)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C36H58NO2P/c1-15-17-19-37(20-18-16-2)40-38-31-27(21-25(33(3,4)5)23-29(31)35(9,10)11)28-22-26(34(6,7)8)24-30(32(28)39-40)36(12,13)14/h21-24H,15-20H2,1-14H3


cas: 73353-25-0
chemspiderid: 2285953
dtxsid: DTXSID20881232
formula: C20H24F19N2O3
inchikey: PBKXSFWADDDQNY-SNVBAGLBSA-O
norman_susdat_id: NS00011394
pubchem_cid: 99710965
name:
(2-Carboxyethyl)-3-(((perfluoro-7-methyloctyl)2-hydroxypropyl)amino)propyldimethylammonium hydroxide

inchi:
InChI=1S/C20H23F19N2O3.H2O/c1-41(2,7-4-11(43)44)6-3-5-40-9-10(42)8-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39;/h10,40,42H,3-9H2,1-2H3;1H2

smiles:
C(NCCC[N+](CCC(O)=O)(C)C)C(O)CC(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.[OH-]


name: 1-((3-(Dimethylamino)propyl)amino)-3-(perfluoro-7-methyloctyl)propan-2-ol
cas: 73353-26-1
chemspiderid: 2285955
dtxsid: DTXSID40881234
formula: C17H19F19N2O1
inchikey: GCGAKPKICKLLED-UHFFFAOYSA-N
norman_susdat_id: NS00010933
pubchem_cid: 3018416
smiles: C(NCCCN(C)C)C(O)CC(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/C17H19F19N2O/c1-38(2)5-3-4-37-7-8(39)6-9(18,19)11(21,22)13(25,26)15(29,30)14(27,28)12(23,24)10(20,16(31,32)33)17(34,35)36/h8,37,39H,3-7H2,1-2H3


name: Disodium 4,4'-diaminostilbene-2,2'-disulphonate
cas: 7336-20-1
dtxsid: DTXSID2020397
inchikey: REJHVSOVQBJEBF-UHFFFAOYSA-L
norman_susdat_id: NS00076491
pubchem_cid: 3482105
smiles: C(=Cc1ccc(N)cc1S(=O)(=O)[O-])c1ccc(N)cc1S(=O)(=O)[O-]
inchi:
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/p-2


name: N-(2,3-dihydroxypropyl)stearamide
cas: 7336-25-6
dtxsid: DTXSID10994082
formula: C21H43NO3
inchikey: ILMOLWSTFFMGGB-UHFFFAOYSA-N
norman_susdat_id: NS00043148
pubchem_cid: 81787
smiles: O=C(NCC(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)22-18-20(24)19-23/h20,23-24H,2-19H2,1H3,(H,22,25)


name: 3-Desmethylcolchicine
cas: 7336-33-6
chemspiderid: 264748
dtxsid: DTXSID30223604
formula: C21H23NO6
inchikey: JRRUSQGIRBEMRN-HNNXBMFYSA-N
norman_susdat_id: NS00094679
pubchem_cid: 299664
smiles: COC1=C(O)C=C2CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C3C2=C1OC
inchi:
InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-17(25)20(27-3)21(28-4)19(12)13-6-8-18(26-2)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1


name: N-1h-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
cas: 733807-13-1
formula: C21H16N6
inchikey: HNHRWNUXTCATSG-UHFFFAOYSA-N
norman_susdat_id: NS00072416
pubchem_cid: 9998128
smiles: Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1
inchi:
InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)


name: Ceftriaxone
cas: 73384-59-5
chebiid: CHEBI:29007
chemspiderid: 4586394
dtxsid: DTXSID0022773
formula: C18H18N8O7S3
inchikey: VAAUVRVFOQPIGI-SPQHTLEESA-N
norman_susdat_id: NS00007027
pubchem_cid: 5479530
smiles: CON=C(/C(=O)N[C@H]1[C@H]2SCC(CSc3nc(=O)c(=O)[nH]n3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
inchi:
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1


name: Sulmazole
cas: 73384-60-8
chemspiderid: 5160
dtxsid: DTXSID1040617
formula: C14H13N3O2S1
inchikey: XMFCOYRWYYXZMY-UHFFFAOYNA-N
norman_susdat_id: NS00037510
pubchem_cid: NA
smiles: COc1cc(ccc1c1nc2c([nH]1)cccn2)S(=O)C
inchi:
InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)/t20-/m0/s1


name: 2-[(2-cyanoethyl)[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]ethyl ethyl carbonate
cas: 73384-65-3
formula: C21H21N6O5S
inchikey: FXSQGNUSSGMZJP-UHFFFAOYSA-N
norman_susdat_id: NS00061203
pubchem_cid: 3018418
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)[N+](=O)[O-])C=C1)CCOC(=O)OCC
inchi:
InChI=1/C21H20N6O5S/c1-2-31-21(28)32-13-12-26(11-3-10-22)16-6-4-15(5-7-16)24-25-20-23-18-9-8-17(27(29)30)14-19(18)33-20/h4-9,14H,2-3,11-13H2,1H3


name: Ethyl 5-[3-chloro-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-9-oxo-2,8,10-trioxa-5-azadodecanoate
cas: 73384-66-4
formula: C23H25ClN5O8
inchikey: OZPWXOCUMJVGST-UHFFFAOYSA-N
norman_susdat_id: NS00060146
pubchem_cid: 14095023
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2Cl)N(CCOC(=O)OCC)CCOC(=O)OCC)[N+](=O)[O-]
inchi:
InChI=1/C23H24ClN5O8/c1-3-34-22(30)36-11-9-28(10-12-37-23(31)35-4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3


name: N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-cyanoethyl)[2-(2-ethoxyethoxy)ethyl]amino]phenyl]acetamide
cas: 73384-67-5
formula: C23H28ClN6O5
inchikey: KXTGCBFHJRKDQM-UHFFFAOYSA-N
norman_susdat_id: NS00061204
pubchem_cid: 3018419
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C(=C1)NC(=O)C)CCOCCOCC
inchi:
InChI=1/C23H27ClN6O5/c1-3-34-13-14-35-12-11-29(10-4-9-25)18-5-8-22(23(16-18)26-17(2)31)28-27-21-7-6-19(30(32)33)15-20(21)24/h5-8,15-16H,3-4,10-14H2,1-2H3,(H,26,31)


cas: 73384-71-1
formula: C20H25ClN6O8
inchikey: DIJWTZBMIPOHKM-UHFFFAOYSA-N
norman_susdat_id: NS00059559
pubchem_cid: 3018422
smiles: O=C(NC=1C=C(NCCOC)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-methoxyethyl)amino]phenyl]acetamide

inchi:
InChI=1/C20H23ClN6O8/c1-12(28)23-15-10-17(22-4-5-33-2)19(35-7-6-34-3)11-16(15)24-25-20-14(21)8-13(26(29)30)9-18(20)27(31)32/h8-11,22H,4-7H2,1-3H3,(H,23,28)


name: 1-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]-3-methoxypropan-2-ol
cas: 73384-72-2
formula: C20H20BrN5O6
inchikey: KZGZAYLQUXXZBE-UHFFFAOYSA-N
norman_susdat_id: NS00061206
pubchem_cid: 3018423
smiles: O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(NCC(O)COC)C=3C=CC=CC23)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C20H18BrN5O6/c1-32-11-13(27)10-22-17-6-7-18(15-5-3-2-4-14(15)17)23-24-20-16(21)8-12(25(28)29)9-19(20)26(30)31/h2-9,13,22,27H,10-11H2,1H3


name: 1-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthyl]amino]-3-butoxypropan-2-ol
cas: 73384-73-3
formula: C23H26BrN5O6
inchikey: MUTUMPWEUGWUMV-UHFFFAOYSA-N
norman_susdat_id: NS00059560
pubchem_cid: 3018424
smiles: O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(NCC(O)COCCCC)C=3C=CC=CC23)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C23H24BrN5O6/c1-2-3-10-35-14-16(30)13-25-20-8-9-21(18-7-5-4-6-17(18)20)26-27-23-19(24)11-15(28(31)32)12-22(23)29(33)34/h4-9,11-12,16,25,30H,2-3,10,13-14H2,1H3


name: 3-[(2-hydroxyethyl)[4-[(6-methoxybenzothiazol-2-yl)azo]-3-methylphenyl]amino]propiononitrile
cas: 73384-74-4
formula: C20H21N5O2S
inchikey: RBHMUFXLBCEVRD-UHFFFAOYSA-N
norman_susdat_id: NS00061207
pubchem_cid: 3018425
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(OC)=CC3S2)C(=C1)C)CCO
inchi:
InChI=1/C20H21N5O2S/c1-14-12-15(25(10-11-26)9-3-8-21)4-6-17(14)23-24-20-22-18-7-5-16(27-2)13-19(18)28-20/h4-7,12-13,26H,3,9-11H2,1-2H3


name: 2-[[4-(diethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 73384-77-7
dtxsid: DTXSID20888387
formula: C19H23N4OS
inchikey: HNEVJTVTQAVNAM-UHFFFAOYSA-M
norman_susdat_id: NS00060086
pubchem_cid: 175472
smiles: [Cl-].N(=NC=1SC=2C=C(OC)C=CC2[N+]1C)C3=CC=C(C=C3)N(CC)CC
inchi:
InChI=1/C19H23N4OS.ClH/c1-5-23(6-2)15-9-7-14(8-10-15)20-21-19-22(3)17-12-11-16(24-4)13-18(17)25-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1


cas: 73384-78-8
formula: C26H21Cl2N9O4S
inchikey: WVXPJDZQOMWFCK-UHFFFAOYSA-M
norman_susdat_id: NS00060087
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC=4C=CC=CC4C)C=5C=CC=CC5Cl
name:
Sodium 4-[[4-chloro-6-(methylanilino)-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C26H21Cl2N9O4S.Na/c1-14-7-3-5-9-18(14)30-26-32-24(28)31-25(33-26)29-16-11-12-21(42(39,40)41)19(13-16)34-35-22-15(2)36-37(23(22)38)20-10-6-4-8-17(20)27;/h3-13,22H,1-2H3,(H,39,40,41)(H2,29,30,31,32,33);/q;+1/p-1


name: N-(1,1-diphosphonoethyl)-ß-alanine, potassium salt
cas: 73384-94-8
dtxsid: DTXSID60994097
formula: C5H13NO8P2
inchikey: JYJTXMYHBOUZBV-UHFFFAOYSA-M
norman_susdat_id: NS00061208
pubchem_cid: 138401884
smiles: [K+].O=C([O-])CCNC(C)(P(=O)(O)O)P(=O)(O)O
inchi:
InChI=1/C5H13NO8P2.K/c1-5(15(9,10)11,16(12,13)14)6-3-2-4(7)8;/h6H,2-3H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14);/q;+1/p-1


name: Calcium bis[4-[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
cas: 73385-03-2
dtxsid: DTXSID80891074
formula: C17H17N4O8S
inchikey: LJZNJAZFGMKGKA-UHFFFAOYSA-L
norman_susdat_id: NS00060088
pubchem_cid: 175474
inchi:
InChI=1/2C17H16N4O8S.Ca/c2*1-10(22)16(17(23)18-11-3-5-12(29-2)6-4-11)20-19-14-8-7-13(30(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2

smiles:
[Ca+2].O=C(NC1=CC=C(OC)C=C1)C(N=NC2=CC=C(C=C2[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C.O=C(NC1=CC=C(OC)C=C1)C(N=NC2=CC=C(C=C2[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C


name: N-(tert-Butoxycarbonyl)-4-nitro-3-phenyl-L-alanyl-L-prolinamide
cas: 73385-89-4
chemspiderid: 21162936
dtxsid: DTXSID10223627
formula: C19H26N4O6
inchikey: HDOWWXJOIAEGEC-GJZGRUSLSA-N
norman_susdat_id: NS00037511
pubchem_cid: 14060806
smiles: CC(C)(C)OC(=O)NC(Cc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCCC1C(=O)N
inchi:
InChI=1S/C19H26N4O6/c1-19(2,3)29-18(26)21-14(11-12-6-8-13(9-7-12)23(27)28)17(25)22-10-4-5-15(22)16(20)24/h6-9,14-15H,4-5,10-11H2,1-3H3,(H2,20,24)(H,21,26)/t14-,15-/m0/s1


name: N-(tert-Butoxycarbonyl)-L-tyrosyl-D-methionylglycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide
cas: 73385-91-8
chemspiderid: 21162937
dtxsid: DTXSID70223628
formula: C35H47N7O10S1
inchikey: WEXMWHYFTKXIIM-PUHABZHSSA-N
norman_susdat_id: NS00037512
pubchem_cid: 44151202
inchi:
InChI=1S/C35H47N7O10S/c1-35(2,3)52-34(49)39-27(19-22-9-13-24(43)14-10-22)31(46)38-26(15-17-53-4)30(45)37-20-29(44)40-32(47)28-6-5-16-41(28)33(48)25(36)18-21-7-11-23(12-8-21)42(50)51/h7-14,25-28,43H,5-6,15-20,36H2,1-4H3,(H,37,45)(H,38,46)(H,39,49)(H,40,44,47)/t25-,26-,27-,28-/m1/s1

smiles:
CSCCC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(=O)C1CCCN1C(=O)C(N)Cc1ccc(cc1)[N+](=O)[O-]


name: Octadecyl L-tyrosinate
cas: 73393-27-8
dtxsid: DTXSID10994108
formula: C27H47NO3
inchikey: OZSVSBMHEZAZTL-SANMLTNESA-N
norman_susdat_id: NS00059562
pubchem_cid: 126361
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C(N)CC1=CC=C(O)C=C1
inchi:
InChI=1/C27H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-31-27(30)26(28)23-24-18-20-25(29)21-19-24/h18-21,26,29H,2-17,22-23,28H2,1H3


name: 3-(diethylamino)-7-(phenylamino)phenoxazin-5-ium trichlorozincate
cas: 73398-25-1
dtxsid: DTXSID80994110
formula: C22H22N3O
inchikey: MOVFQCRDTSTHCH-UHFFFAOYSA-K
norman_susdat_id: NS00061210
pubchem_cid: NA
smiles: Cl[Zn-](Cl)Cl.N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(CC)CC)NC=4C=CC=CC4
inchi:
InChI=1/C22H22N3O.3ClH.Zn/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16;;;;/h5-15,23H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC22H22N3O.Cl3Zn/c1-3-25(4-2)18-11-13-20-22(15-18)26-21-14-17(10-12-19(21)24-20)23-16-8-6-5-7-9-16;1-4(2)3/h5-15,23H,3-4H2,1-2H3;/q+1;-1


cas: 73398-29-5
chemspiderid: 57522172
dtxsid: DTXSID80223634
formula: C36H36Br2N2O8S2
inchikey: RPLREUASRUWDQJ-UHFFFAOYSA-L
norman_susdat_id: NS00020448
pubchem_cid: 44149046
name:
Disodium 2,2'-((9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(3-bromo-5-butyltoluene-4-sulphonate)

inchi:
InChI=1S/C36H36Br2N2O8S2/c1-5-7-11-21-17-19(3)31(29(37)35(21)49(43,44)45)39-25-15-16-26(28-27(25)33(41)23-13-9-10-14-24(23)34(28)42)40-32-20(4)18-22(12-8-6-2)36(30(32)38)50(46,47)48/h9-10,13-18,39-40H,5-8,11-12H2,1-4H3,(H,43,44,45)(H,46,47,48)

smiles:
[Na+].[Na+].CCCCc1c(c(Br)c(Nc2c3C(=O)c4ccccc4C(=O)c3c(Nc3c(Br)c(c(CCCC)cc3C)S(=O)(=O)[O-])cc2)c(C)c1)S(=O)(=O)[O-]


cas: 73398-35-3
formula: C41H29ClN10O18S5
inchikey: IBAMSWYXGYXUQF-UHFFFAOYSA-I
norman_susdat_id: NS00060169
pubchem_cid: NA
name:
Pentasodium 7-[[3-(acetylamino)-4-[[4-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C41H29ClN10O18S5.5Na/c1-17(53)44-26-13-20(51-52-28-15-24-18(11-32(28)74(65,66)67)10-21(71(56,57)58)14-31(24)73(62,63)64)6-8-25(26)46-40-48-39(42)49-41(50-40)47-27-12-19(7-9-30(27)72(59,60)61)45-29-16-33(75(68,69)70)36(43)35-34(29)37(54)22-4-2-3-5-23(22)38(35)55;;;;;/h2-16,45H,43H2,1H3,(H,44,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,46,47,48,49,50);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)NC6=CC=C(N=NC7=CC8=C(C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)[O-])C=C7S(=O)(=O)[O-])C=C6NC(=O)C)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


cas: 73398-36-4
formula: C40H29Cl2N15O19S6
inchikey: RVPGUBORVDMUDA-UHFFFAOYSA-H
norman_susdat_id: NS00060170
pubchem_cid: NA
name:
Hexasodium 4-amino-3,6-bis[[4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C40H29Cl2N15O19S6.6Na/c41-35-48-37(44-18-1-7-22(8-2-18)77(59,60)61)52-39(50-35)46-20-5-11-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)13-17-14-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-12-6-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-3-9-23(10-4-19)78(62,63)64;;;;;;/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(N=NC4=C(O)C=5C(C=C4S(=O)(=O)[O-])=CC(=C(N=NC6=CC=C(C=C6S(=O)(=O)[O-])NC=7N=C(Cl)N=C(N7)NC8=CC=C(C=C8)S(=O)(=O)[O-])C5N)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 73398-37-5
formula: C52H36Cl2N18O24S6.6Na
inchikey: WPQITRLFJZQCJY-UHFFFAOYSA-H
norman_susdat_id: NS00093450
name:
1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, hexasodium salt

inchi:
InChI=1/C52H36Cl2N18O24S6.6Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;;;;;;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c1ccc(cc1)N%10/N=C(/C(=O)[O-])C(N=Nc2cc(ccc2S(O)(=O)=O)Nc3nc(nc(Cl)n3)Nc9ccc(C=Cc4ccc(cc4S([O-])(=O)=O)Nc5nc(nc(Cl)n5)Nc8cc(N=NC7\C(=N/N(c6ccc(cc6)S([O-])(=O)=O)C7=O)C([O-])=O)c(cc8)S(O)(=O)=O)c(c9)S([O-])(=O)=O)C%10=O


cas: 73398-38-6
formula: C51H42Cl2N16O17S5
inchikey: STUBSYFXAWRMOI-UHFFFAOYSA-I
norman_susdat_id: NS00058761
pubchem_cid: NA
name:
Pentasodium 3,3'-[(2,4,6-trimethyl-5-sulphonato-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C51H42Cl2N16O17S5.5Na/c1-22-43(58-50-62-46(52)60-48(64-50)56-27-12-14-35(37(18-27)54-25(4)70)68-66-29-16-33-31(41(20-29)89(78,79)80)8-6-10-39(33)87(72,73)74)23(2)45(91(84,85)86)24(3)44(22)59-51-63-47(53)61-49(65-51)57-28-13-15-36(38(19-28)55-26(5)71)69-67-30-17-34-32(42(21-30)90(81,82)83)9-7-11-40(34)88(75,76)77;;;;;/h6-21H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)NC=5C(=C(NC=6N=C(Cl)N=C(N6)NC7=CC=C(N=NC=8C=C9C(C=CC=C9S(=O)(=O)[O-])=C(C8)S(=O)(=O)[O-])C(=C7)NC(=O)C)C(=C(C5C)S(=O)(=O)[O-])C)C)C


cas: 73398-40-0
formula: C18H20Cl2N8O9S2
inchikey: BLUQNUCXKILVND-UHFFFAOYSA-L
norman_susdat_id: NS00059262
pubchem_cid: NA
name:
Disodium 4-[[5-(aminocarbonyl)-1-ethyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonate

inchi:
InChI=1/C18H20Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-6,11-12,15,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)C1C(=O)N(CC)C(O)C(N=NC=2C=C(NC=3N=C(Cl)N=C(Cl)N3)C(=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C1C


cas: 73398-41-1
formula: C23H14Cl2N6O10S3
inchikey: VDOVAGAGZHZURJ-UHFFFAOYSA-K
norman_susdat_id: NS00059272
pubchem_cid: NA
name:
Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate

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

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C(O)=C2C(=C1)NC=5N=C(Cl)N=C(Cl)N5)S(=O)(=O)[O-]


cas: 73398-42-2
formula: C26H19Cl2N7O11S3
inchikey: ITTGUFVHVMZQNI-UHFFFAOYSA-K
norman_susdat_id: NS00060194
pubchem_cid: NA
name:
Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[[4-[(4-methoxyphenyl)amino]-3-sulphonatophenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H19Cl2N7O11S3.3Na/c1-46-15-5-2-13(3-6-15)29-17-7-4-14(10-19(17)48(40,41)42)34-35-22-20(49(43,44)45)9-12-8-16(47(37,38)39)11-18(21(12)23(22)36)30-26-32-24(27)31-25(28)33-26;;;/h2-11,29,36H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(OC)C=C4)C(=C3)S(=O)(=O)[O-])C(O)=C2C(=C1)NC=5N=C(Cl)N=C(Cl)N5)S(=O)(=O)[O-]


cas: 73398-43-3
formula: C25H17Cl2N9O16S5
inchikey: PDTDSYLFAWSLDO-UHFFFAOYSA-I
norman_susdat_id: NS00060195
pubchem_cid: NA
name:
Pentasodium 4-amino-6-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-12-7-10(1-3-14(12)54(41,42)43)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(Cl)N5)S(=O)(=O)[O-])C(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


cas: 73398-45-5
formula: C31H25N5O7S
inchikey: FPPLXPFOEZVRDE-UHFFFAOYSA-M
norman_susdat_id: NS00060196
pubchem_cid: 136086372
name:
Sodium hydrogen 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C31H25N5O7S.Na.H2/c1-16-11-18(4-8-25(16)34-33-22-7-10-27(37)24(15-22)31(39)40)19-5-9-26(17(2)12-19)35-36-29-28(44(41,42)43)13-20-3-6-21(32)14-23(20)30(29)38;;/h3-15,37-38H,32H2,1-2H3,(H,39,40)(H,41,42,43);;1H/q;2*+1/p-2

smiles:
[H+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2C)C3=CC=C(N=NC=4C(O)=C5C=C(N)C=CC5=CC4S(=O)(=O)[O-])C(=C3)C)=CC=C1O


cas: 73398-47-7
formula: C34H27N5O11S3
inchikey: JZJJRKGVMAIFNE-UHFFFAOYSA-K
norman_susdat_id: NS00058762
pubchem_cid: NA
name:
Trisodium 8-[[4'-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C34H27N5O11S3.3Na/c1-17-11-19(4-8-26(17)36-38-33-25(35)7-3-21-13-23(51(42,43)44)15-29(41)31(21)33)20-5-9-27(18(2)12-20)37-39-34-28(40)10-6-22-14-24(52(45,46)47)16-30(32(22)34)53(48,49)50;;;/h3-16,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C(O)=CC=C6C=C(C=C(C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)C)=C1


cas: 73398-50-2
formula: C47H38N14O12S4
inchikey: GWHDJAXRFUYDED-UHFFFAOYSA-J
norman_susdat_id: NS00059246
pubchem_cid: NA
name:
Tetrasodium 2,2'-[[6-anilino-1,3,5-triazine-2,4-diyl]bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]

inchi:
InChI=1/C47H38N14O12S4.4Na/c1-28-24-33(12-20-39(28)58-60-41-22-14-35(26-43(41)76(68,69)70)56-54-31-8-16-37(17-9-31)74(62,63)64)49-46-51-45(48-30-6-4-3-5-7-30)52-47(53-46)50-34-13-21-40(29(2)25-34)59-61-42-23-15-36(27-44(42)77(71,72)73)57-55-32-10-18-38(19-11-32)75(65,66)67;;;;/h3-27H,1-2H3,(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H3,48,49,50,51,52,53);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3C)NC4=NC(=NC(=N4)NC5=CC=C(N=NC6=CC=C(N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C=C6S(=O)(=O)[O-])C(=C5)C)NC=8C=CC=CC8)C(=C2)S(=O)(=O)[O-])C=C1


cas: 73398-51-3
dtxsid: DTXSID30904921
formula: C40H36N10O17S4
inchikey: PRNSJPKDFLLHNR-UHFFFAOYSA-J
norman_susdat_id: NS00058763
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt

inchi:
InChI=1/C40H36N10O17S4.4Na/c1-19-10-28(33(67-3)18-27(19)47-49-30-16-24(69(57,58)59)12-21-13-25(70(60,61)62)17-31(52)35(21)30)43-40-45-38(41-8-9-51)44-39(46-40)42-22-4-6-26-20(11-22)14-34(71(63,64)65)36(37(26)53)50-48-29-15-23(68(54,55)56)5-7-32(29)66-2;;;;/h4-7,10-18,51-53H,8-9H2,1-3H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H3,41,42,43,44,45,46);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(OC)C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4N=C(N=C(N4)NCCO)NC5=CC(=C(N=NC=6C=C(C=C7C=C(C=C(O)C67)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C5OC)C)=C1


cas: 73398-52-4
formula: C40H34N10O16S4
inchikey: SJNJGMHBWNSMCF-UHFFFAOYSA-J
norman_susdat_id: NS00058783
pubchem_cid: NA
name:
Tetrasodium 4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]-6-(morpholino)-1,3,5-triazin-2-yl]amino]-3-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H34N10O16S4.4Na/c1-65-25-8-10-28(30(19-25)68(56,57)58)47-49-34-31(69(59,60)61)17-21-15-24(7-9-27(21)36(34)51)41-38-43-39(45-40(44-38)50-11-13-66-14-12-50)42-29-20-26(67(53,54)55)16-22-18-32(70(62,63)64)35(37(52)33(22)29)48-46-23-5-3-2-4-6-23;;;;/h2-10,15-20,51-52H,11-14H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,42,43,44,45);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3)C(O)=C2C(=C1)NC4=NC(=NC(=N4)N5CCOCC5)NC=6C=CC=7C(C6)=CC(=C(N=NC8=CC=C(OC)C=C8S(=O)(=O)[O-])C7O)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 73398-64-8
dtxsid: DTXSID80104792
norman_susdat_id: NS00094871
name:
Quaternary ammonium compounds (dialkyldimethyl (alkyl from C6-C18, saturated and unsaturated, and tallow alkyl, coco alkyl, and soya alkyl) chlorides, bromides, or methylsulphates)


name: Ethyl 3-[(4-nitrophenyl)amino]-3-[(2,4,6-trichlorophenyl)hydrazono]propionate
cas: 73398-73-9
dtxsid: DTXSID30888393
formula: C17H16Cl3N4O4
inchikey: IZUYLTCDLDDGQD-UHFFFAOYSA-N
norman_susdat_id: NS00058784
pubchem_cid: 5491229
smiles: O=C(OCC)CC(=NNC=1C(Cl)=CC(Cl)=CC1Cl)NC2=CC=C(C=C2)[N+](=O)[O-]
inchi:
InChI=1/C17H15Cl3N4O4/c1-2-28-16(25)9-15(21-11-3-5-12(6-4-11)24(26)27)22-23-17-13(19)7-10(18)8-14(17)20/h3-8,23H,2,9H2,1H3,(H,21,22)


name: 5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride
cas: 73398-77-3
formula: C14H21N6.Cl
inchikey: SACUGCOXIBNKOU-UHFFFAOYSA-N
norman_susdat_id: NS00089498
smiles: [Cl-].CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC
inchi:
InChI=1/C14H22N6.ClH/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;/h7-11,14H,5-6H2,1-4H3;1H


cas: 73398-81-9
dtxsid: DTXSID80890340
formula: C28H19N7O12S3
inchikey: AMPKWFMDRHLIFQ-QBQCNTLMSA-K
norman_susdat_id: NS00060197
pubchem_cid: NA
name:
Trisodium 2-[4-[2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5-sulphonate

inchi:
InChI=1/C28H19N7O12S3.3Na/c36-26-25(27(37)30-28(38)29-26)32-31-16-9-7-14(21(11-16)48(39,40)41)5-6-15-8-10-17(12-22(15)49(42,43)44)35-33-20-13-23(50(45,46)47)18-3-1-2-4-19(18)24(20)34-35;;;/h1-13,25H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1NC(=O)C(N=NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])N4N=C5C=C(C6=CC=CC=C6C5=N4)S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C(=O)N1


name: Basic Violet 11
cas: 73398-89-7
chemspiderid: 56066
dtxsid: DTXSID50879783
formula: C29H33N2O3
inchikey: NILXVRMPJNDXNM-UHFFFAOYSA-J
norman_susdat_id: NS00019626
pubchem_cid: 76967117
inchi:
InChI=1S/C29H33N2O3/c1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5/h10-19H,6-9H2,1-5H3/q+1

smiles:
Cl[Zn--](Cl)(Cl)Cl.CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(C3=CC=CC=C3C(=O)OC)=C2C=C1.CCN(CC)C1=CC2=[O+]C3=C(C=CC(=C3)N(CC)CC)C(C3=CC=CC=C3C(=O)OC)=C2C=C1


name: 5-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile
cas: 73398-96-6
dtxsid: DTXSID70888397
formula: C27H26N6O4
inchikey: YYXXGEUJUGIQRT-UHFFFAOYSA-N
norman_susdat_id: NS00059274
pubchem_cid: 166426
smiles: N#CC1=C(N=C(NCCOC)C(N=NC2=CC=CC=3C(=O)C=4C=CC=CC4C(=O)C23)=C1C)NCCOC
inchi:
InChI=1/C27H26N6O4/c1-16-20(15-28)26(29-11-13-36-2)31-27(30-12-14-37-3)23(16)33-32-21-10-6-9-19-22(21)25(35)18-8-5-4-7-17(18)24(19)34/h4-10H,11-14H2,1-3H3,(H2,29,30,31)


name: estr-4-ene-3,17-dione
cas: 734-32-7
chebiid: CHEBI:34187
chemspiderid: 83803
formula: C18H24O2
inchikey: JRIZOGLBRPZBLQ-QXUSFIETSA-N
norman_susdat_id: NS00010376
pubchem_cid: 92834
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
inchi:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-16H,2-9H2,1H3/t13-,14+,15+,16-,18-/m0/s1


name: a-[4-[2-(diethylamino)ethoxy]phenyl]-a-phenylphenethyl alcohol
cas: 73404-00-9
dtxsid: DTXSID50994127
formula: C26H31NO2
inchikey: ZHLXWJSSVXYFJC-UHFFFAOYSA-N
norman_susdat_id: NS00060198
pubchem_cid: 3018431
smiles: OC(C=1C=CC=CC1)(C2=CC=C(OCCN(CC)CC)C=C2)CC=3C=CC=CC3
inchi:
InChI=1/C26H31NO2/c1-3-27(4-2)19-20-29-25-17-15-24(16-18-25)26(28,23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,28H,3-4,19-21H2,1-2H3


name: 4'-Chloro-2-mercapto-5-benzothiazolesulphonanilide
cas: 7341-89-1
chemspiderid: 2298704
dtxsid: DTXSID90223640
formula: C13H9Cl1N2O2S3
inchikey: ATOUOYOWYYYGBS-UHFFFAOYSA-N
norman_susdat_id: NS00037514
pubchem_cid: 3034197
smiles: Clc1ccc(NS(=O)(=O)c2cc3c(sc(=S)[nH]3)cc2)cc1
inchi:
InChI=1S/C13H9ClN2O2S3/c14-8-1-3-9(4-2-8)16-21(17,18)10-5-6-12-11(7-10)15-13(19)20-12/h1-7,16H,(H,15,19)


cas: 7342-13-4
chemspiderid: 97591
dtxsid: DTXSID4064634
formula: C34H30N10O8S2
inchikey: ONAMMOQWYFWXJY-UHFFFAOYSA-N
norman_susdat_id: NS00022736
pubchem_cid: 108536
name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-methoxy-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1S/C34H30N10O8S2/c1-51-33-41-29(35-23-9-5-3-6-10-23)39-31(43-33)37-25-17-15-21(27(19-25)53(45,46)47)13-14-22-16-18-26(20-28(22)54(48,49)50)38-32-40-30(42-34(44-32)52-2)36-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,45,46,47)(H,48,49,50)(H2,35,37,39,41,43)(H2,36,38,40,42,44)/b14-13+

smiles:
COc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(OC)nc(Nc5ccccc5)n4)cc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])n1


name: Sodium 5-chloro-2,3-dihydro-2-thioxobenzoxazole-7-sulphonate
cas: 7342-34-9
dtxsid: DTXSID70223648
formula: C7H4ClNO4S2
inchikey: CMOUNLVSRHFQEG-UHFFFAOYSA-M
norman_susdat_id: NS00043671
pubchem_cid: 3014558
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C=C2NC(=S)OC21
inchi:
InChI=1/C7H4ClNO4S2.Na/c8-3-1-4-6(13-7(14)9-4)5(2-3)15(10,11)12;/h1-2H,(H,9,14)(H,10,11,12);/q;+1/p-1


name: Triisobutyltin chloride
cas: 7342-38-3
formula: C12H27ClSn
inchikey: NHSGFFFVCFHOBS-UHFFFAOYSA-M
norman_susdat_id: NS00080553
smiles: [Cl-].CC(C)C[Sn+](CC(C)C)CC(C)C
inchi:
InChI=1/3C4H9.ClH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27Sn.ClH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H/q+1;/p-1


name: Triisobutyltin bromide
cas: 7342-39-4
dtxsid: DTXSID40223650
formula: C12H27Sn
inchikey: YQQBSHJWYVTQTA-UHFFFAOYSA-M
norman_susdat_id: NS00043149
pubchem_cid: NA
smiles: [Br-].[Sn+](CC(C)C)(CC(C)C)CC(C)C
inchi:
InChI=1/3C4H9.BrH.Sn/c3*1-4(2)3;;/h3*4H,1H2,2-3H3;1H;/q;;;;+1/p-1/rC12H27Sn.BrH/c1-10(2)7-13(8-11(3)4)9-12(5)6;/h10-12H,7-9H2,1-6H3;1H/q+1;/p-1


name: 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-[(methylamino)methyl]oxazolidin-2-one
cas: 73423-36-6
formula: C18H19ClN2O3
inchikey: KYXSTSXVEXKFJI-UHFFFAOYSA-N
norman_susdat_id: NS00059322
pubchem_cid: 158621
smiles: O=C1OC(CNC)CN1C2=CC=C(OCC=3C=CC=C(Cl)C3)C=C2
inchi:
InChI=1/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3


name: 5-Oxo-1-(phenylacetyl)-L-proline
cas: 73427-36-8
chemspiderid: 18563248
dtxsid: DTXSID60223657
formula: C13H13N1O4
inchikey: ORJNCNQYVLJMOS-JTQLQIEISA-N
norman_susdat_id: NS00037516
pubchem_cid: 13470500
smiles: OC(=O)C1CCC(=O)N1C(=O)Cc1ccccc1
inchi:
InChI=1S/C13H13NO4/c15-11-7-6-10(13(17)18)14(11)12(16)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)/t10-/m1/s1


name: Manniflavanone
cas: 73428-17-8
chemspiderid: 171850
dtxsid: DTXSID20223658
formula: C30H22O13
inchikey: UKRJEVDCOVVSAB-BENTYHEHSA-N
norman_susdat_id: NS00037517
pubchem_cid: 198549
smiles: O[C@@H]1[C@H](Oc2c([C@@H]3[C@H](Oc4cc(O)cc(O)c4C3=O)c3cc(O)c(O)cc3)c(O)cc(O)c2C1=O)c1cc(O)c(O)cc1
inchi:
InChI=1S/C30H22O13/c31-12-7-17(36)21-20(8-12)42-28(10-1-3-13(32)15(34)5-10)24(25(21)39)22-18(37)9-19(38)23-26(40)27(41)29(43-30(22)23)11-2-4-14(33)16(35)6-11/h1-9,24,27-29,31-38,41H/t24-,27-,28+,29+/m0/s1


cas: 73455-11-5
formula: C27H23Cl2N13O12S3
inchikey: YJGQQTXABJUWJQ-UHFFFAOYSA-K
norman_susdat_id: NS00060267
pubchem_cid: 136849188
name:
1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt

inchi:
InChI=1/C27H23Cl2N13O12S3.3Na/c1-3-42-21(44)17(19(30)43)9(2)18(22(42)45)41-40-13-7-12(15(56(49,50)51)8-16(13)57(52,53)54)33-26-35-20(34-23(28)37-26)10-4-5-14(55(46,47)48)11(6-10)32-27-38-24(29)36-25(31)39-27;;;/h4-8,45H,3H2,1-2H3,(H2,30,43)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,34,35,37)(H3,31,32,36,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC=2C=C(NC3=NC(Cl)=NC(=N3)C=4C=CC(=C(C4)NC=5N=C(Cl)N=C(N5)N)S(=O)(=O)[O-])C(=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C1C)CC


cas: 73455-75-1
dtxsid: DTXSID20894721
norman_susdat_id: NS00076049
name:
Hydrogen [29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cuprate(1-), compound with dodecylamine (1:1)


cas: 7346-09-0
formula: C18H25NO
inchikey: YQYVFVRQLZMJKJ-UHFFFAOYSA-N
norman_susdat_id: NS00080844
smiles: CC1C2Cc3ccc(O)cc3C1(C)CCN2CC4CC4
name:
(2a,6a,11R*)-(±)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol

inchi:
InChI=1/C18H25NO/c1-12-17-9-14-5-6-15(20)10-16(14)18(12,2)7-8-19(17)11-13-3-4-13/h5-6,10,12-13,17,20H,3-4,7-9,11H2,1-2H3


name: 2-ethylhexyl octyl phenyl phosphite
cas: 7346-61-4
dtxsid: DTXSID70884374
formula: C22H39O3P
inchikey: ZIXVBDFLJANKCD-UHFFFAOYSA-N
norman_susdat_id: NS00043692
pubchem_cid: 110970
smiles: O(C=1C=CC=CC1)P(OCCCCCCCC)OCC(CC)CCCC
inchi:
InChI=1/C22H39O3P/c1-4-7-9-10-11-15-19-23-26(25-22-17-13-12-14-18-22)24-20-21(6-3)16-8-5-2/h12-14,17-18,21H,4-11,15-16,19-20H2,1-3H3


name: Decanoic acid, 2-[2-[2-[(1-oxooctyl)oxy]ethoxy]ethoxy]ethyl ester
cas: 7346-78-3
chemspiderid: 73816
dtxsid: DTXSID9064637
formula: C24H46O6
inchikey: RCGZRZBMXNWTFH-UHFFFAOYSA-N
norman_susdat_id: NS00037521
pubchem_cid: 81803
smiles: CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
inchi:
InChI=1S/C24H46O6/c1-3-5-7-9-10-12-14-16-24(26)30-22-20-28-18-17-27-19-21-29-23(25)15-13-11-8-6-4-2/h3-22H2,1-2H3


name: Sodium 2-{methyl[(9E)-9-octadecenoyl]amino}ethanesulfonate
cas: 7346-80-7
chemspiderid: 4940996
dtxsid: DTXSID5042409
formula: C21H43N1O3S1
inchikey: AUPJTDWZPFFCCP-GMFCBQQYSA-M
norman_susdat_id: NS00022738
pubchem_cid: 23665640
smiles: [Na+].CCCCCCCC/C=CCCCCCCCCN(C)CCS(=O)(=O)[O-]
inchi:
InChI=1S/C21H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21-26(23,24)25/h10-11H,3-9,12-21H2,1-2H3,(H,23,24,25)/b11-10-


name: 3,3,5-trimethylcyclohexyl N-acetylanthranilate
cas: 73486-91-6
dtxsid: DTXSID90994242
formula: C18H25NO3
inchikey: ZHKXQINATDRSHN-UHFFFAOYSA-N
norman_susdat_id: NS00060269
pubchem_cid: 3018442
smiles: O=C(OC1CC(C)CC(C)(C)C1)C=2C=CC=CC2NC(=O)C
inchi:
InChI=1/C18H25NO3/c1-12-9-14(11-18(3,4)10-12)22-17(21)15-7-5-6-8-16(15)19-13(2)20/h5-8,12,14H,9-11H2,1-4H3,(H,19,20)


name: Satratoxin F
cas: 73513-01-6
chemspiderid: 10204343
dtxsid: DTXSID50891849
formula: C29H34O10
inchikey: SJCPVUVBUQDGKN-VXWIUBPCSA-N
norman_susdat_id: NS00094915
pubchem_cid: 101307900
smiles: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC(C5O)(/C=CC=C/C(=O)OC6C3(C7(CO7)C(C6)O2)C)C(=O)C
inchi:
InChI=1S/C29H34O10/c1-16-7-9-26-14-34-23(32)22-28(39-22)10-11-35-27(17(2)30,24(28)33)8-5-4-6-21(31)38-18-13-20(37-19(26)12-16)29(15-36-29)25(18,26)3/h4-6,8,12,18-20,22,24,33H,7,9-11,13-15H2,1-3H3/b6-4-,8-5-


cas: 73513-98-1
dtxsid: DTXSID1072761
formula: C34H26N4O10S2
inchikey: VJBOSXWKFRKRJA-UHFFFAOYSA-L
norman_susdat_id: NS00059370
pubchem_cid: 166428
name:
Disodium 5-[[4-[[4-[(2,8-dihydroxy-6-sulphonatonaphthyl)azo]-o-tolyl]methyl]phenyl]azo]-4,6-dihydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C34H26N4O10S2.2Na/c1-18-12-24(36-38-34-28(40)11-6-22-15-26(50(46,47)48)17-30(42)32(22)34)9-4-20(18)13-19-2-7-23(8-3-19)35-37-33-27(39)10-5-21-14-25(49(43,44)45)16-29(41)31(21)33;;/h2-12,14-17,39-42H,13H2,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(O)=C2N=NC3=CC=C(C=C3)CC4=CC=C(N=NC5=C(O)C=CC6=CC(=CC(O)=C65)S(=O)(=O)[O-])C=C4C)=C1


name: Fosarilate
cas: 73514-87-1
chemspiderid: 64797
dtxsid: DTXSID70223729
formula: C17H28Cl1O5P1
inchikey: QDGWHHFJDHIIOS-UHFFFAOYSA-N
norman_susdat_id: NS00037526
pubchem_cid: 71756
smiles: CCOP(=O)(CCCCCCOc1c(Cl)cc(OC)cc1)OCC
inchi:
InChI=1S/C17H28ClO5P/c1-4-22-24(19,23-5-2)13-9-7-6-8-12-21-17-11-10-15(20-3)14-16(17)18/h10-11,14H,4-9,12-13H2,1-3H3


name: 4,5,6,7-Tetrachloro-3,3-bis(4-(dimethylamino)phenyl)phthalide
cas: 73517-30-3
chemspiderid: 21162958
dtxsid: DTXSID80223730
formula: C24H20Cl4N2O2
inchikey: PWDAUHQMJRBUHP-UHFFFAOYSA-N
norman_susdat_id: NS00037527
pubchem_cid: 44150728
smiles: CN(C)c1ccc(cc1)C1(OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C24H20Cl4N2O2/c1-29(2)15-9-5-13(6-10-15)24(14-7-11-16(12-8-14)30(3)4)18-17(23(31)32-24)19(25)21(27)22(28)20(18)26/h5-12H,1-4H3


name: 2-amino-5-[(3-aminobenzoyl)amino]benzenesulphonic acid
cas: 73525-13-0
dtxsid: DTXSID80994296
formula: C13H13N3O4S
inchikey: MGDIZTOOMTZXQA-UHFFFAOYSA-N
norman_susdat_id: NS00058871
pubchem_cid: 3018445
smiles: O=C(NC1=CC=C(N)C(=C1)S(=O)(=O)O)C=2C=CC=C(N)C2
inchi:
InChI=1/C13H13N3O4S/c14-9-3-1-2-8(6-9)13(17)16-10-4-5-11(15)12(7-10)21(18,19)20/h1-7H,14-15H2,(H,16,17)(H,18,19,20)


name: 1,1,3,3-tetramethyl-6-(1,1,3,3-tetramethylbutyl)indan-5-ol
cas: 73526-35-9
dtxsid: DTXSID40994297
formula: C21H34O
inchikey: UCPLXKGSKHNLFC-UHFFFAOYSA-N
norman_susdat_id: NS00059371
pubchem_cid: 3018446
smiles: OC=1C=C2C(=CC1C(C)(C)CC(C)(C)C)C(C)(C)CC2(C)C
inchi:
InChI=1/C21H34O/c1-18(2,3)12-19(4,5)16-10-14-15(11-17(16)22)21(8,9)13-20(14,6)7/h10-11,22H,12-13H2,1-9H3


cas: 73528-78-6
dtxsid: DTXSID40888405
formula: C27H30Cl2N9O6
inchikey: ISWMXLOQKPDJJE-UHFFFAOYSA-N
norman_susdat_id: NS00060393
pubchem_cid: 166429
smiles: N#CC1=C(N=C(NCCOC)C(N=NC2=CC(OC)=C(N=NC3=C(Cl)C=C(C=C3Cl)[N+](=O)[O-])C=C2OC)=C1C)NCCOC
name:
5-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-2,5-dimethoxyphenyl]azo]-2,6-bis[(2-methoxyethyl)amino]-4-methylnicotinonitrile

inchi:
InChI=1/C27H29Cl2N9O6/c1-15-17(14-30)26(31-6-8-41-2)33-27(32-7-9-42-3)24(15)36-34-20-12-23(44-5)21(13-22(20)43-4)35-37-25-18(28)10-16(38(39)40)11-19(25)29/h10-13H,6-9H2,1-5H3,(H2,31,32,33)


name: 2,2',3,3'-Tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol
cas: 73529-70-1
chemspiderid: 34998610
dtxsid: DTXSID20223734
formula: C39H60O2
inchikey: ZZWLQIMILBITLS-UHFFFAOYSA-N
norman_susdat_id: NS00037528
pubchem_cid: 44147019
smiles: CC(C)CCCCCCc1c(O)cc2c(c1)C(C)(C)CC12CC(C)(C)c2cc(CCCCCCC(C)C)c(O)cc12
inchi:
InChI=1S/C39H60O2/c1-27(2)17-13-9-11-15-19-29-21-31-33(23-35(29)40)39(25-37(31,5)6)26-38(7,8)32-22-30(36(41)24-34(32)39)20-16-12-10-14-18-28(3)4/h21-24,27-28,40-41H,9-20,25-26H2,1-8H3


name: Alpha-Dimorphecolic
cas: 73543-67-6
chebiid: CHEBI:34496
dtxsid: DTXSID20868260
formula: C18H32O3
inchikey: NPDSHTNEKLQQIJ-UINYOVNOSA-N
norman_susdat_id: NS00069912
pubchem_cid: 5312830
smiles: CCCCC/C=CC=C[C@@H](O)CCCCCCCC(=O)O
inchi:
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1


name: 7-Acetyllycopsamine
cas: 73544-48-6
chebiid: CHEBI:80703
chemspiderid: 137407
dtxsid: DTXSID50223742
formula: C17H27NO6
inchikey: RKDOFSJTBIDAHX-OFSOMGBPSA-N
norman_susdat_id: NS00066996
pubchem_cid: 156006
smiles: C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O
inchi:
InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14+,15+,17-/m0/s1


name: 7-(4-ethyl-1-methyloctyl)quinolin-8-ol
cas: 73545-11-6
dtxsid: DTXSID80868261
formula: C20H29NO
inchikey: YWACCMLWVBYNHR-UHFFFAOYSA-N
norman_susdat_id: NS00059384
pubchem_cid: 166430
smiles: OC=1C2=NC=CC=C2C=CC1C(C)CCC(CC)CCCC
inchi:
InChI=1/C20H29NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-16,22H,4-6,8,10-11H2,1-3H3


cas: 73545-23-0
dtxsid: DTXSID1072765
formula: C29H65N5O7Si
inchikey: XMJZJHFPKVDLQZ-UHFFFAOYSA-N
norman_susdat_id: NS00060395
pubchem_cid: 175500
smiles: Cl.O=C(NCCNCCNCCNCCNCCC[Si](OCCOC)(OCCOC)OCCOC)CCCCCCCC
name:
N-[16,16-bis(2-methoxyethoxy)-17,20-dioxa-3,6,9,12-tetraaza-16-silahenicos-1-yl]nonanamide monohydrochloride

inchi:
InChI=1/C29H65N5O7Si.ClH/c1-5-6-7-8-9-10-12-29(35)34-21-20-33-19-18-32-17-16-31-15-14-30-13-11-28-42(39-25-22-36-2,40-26-23-37-3)41-27-24-38-4;/h30-33H,5-28H2,1-4H3,(H,34,35);1H


name: Methyl O-tetraacetyl-ß-D-glucopyranuronate
cas: 7355-18-2
formula: C15H20O11
inchikey: DPOQCELSZBSZGX-UHFFFAOYSA-N
norman_susdat_id: NS00044202
pubchem_cid: 226478
smiles: O=C(OC1OC(C(=O)OC)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3


name: Cefetrizole
cas: 73550-55-7
chemspiderid: 168309
formula: C16H15N5O4S3
inchikey: UQWYUAURRDNBKR-BXUZGUMPSA-N
norman_susdat_id: NS00011596
pubchem_cid: 193956
smiles: c1cc(sc1)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4[nH]ncn4)C(=O)O
inchi:
InChI=1S/C16H15N5O4S3/c22-10(4-9-2-1-3-26-9)19-11-13(23)21-12(15(24)25)8(5-27-14(11)21)6-28-16-17-7-18-20-16/h1-3,7,11,14H,4-6H2,(H,19,22)(H,24,25)(H,17,18,20)/t11-,14-/m1/s1


name: 1-[4-[(4-phenoxyphenyl)methyl]thiazol-2-yl]piperazine monohydrochloride
cas: 73553-70-5
dtxsid: DTXSID80223755
formula: C20H21N3OS
inchikey: BHLUGYODRPFQRG-UHFFFAOYSA-N
norman_susdat_id: NS00060420
pubchem_cid: 198551
smiles: Cl.N1=C(SC=C1CC2=CC=C(OC=3C=CC=CC3)C=C2)N4CCNCC4
inchi:
InChI=1/C20H21N3OS.ClH/c1-2-4-18(5-3-1)24-19-8-6-16(7-9-19)14-17-15-25-20(22-17)23-12-10-21-11-13-23;/h1-9,15,21H,10-14H2;1H


name: N-(tert-butoxycarbonyl)-L-valyl-L-leucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-lysinamide
cas: 73554-84-4
dtxsid: DTXSID20994331
formula: C32H49N5O7
inchikey: KVLPXRKIIFWZLM-DPZBCOQUSA-N
norman_susdat_id: NS00059411
pubchem_cid: 126375
smiles: O=C1OC=2C=C(C=CC2C(=C1)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC(C)C)CCCCN
inchi:
InChI=1/C32H49N5O7/c1-18(2)15-24(36-30(41)27(19(3)4)37-31(42)44-32(6,7)8)29(40)35-23(11-9-10-14-33)28(39)34-21-12-13-22-20(5)16-26(38)43-25(22)17-21/h12-13,16-19,23-24,27H,9-11,14-15,33H2,1-8H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)


name: 2,3-di(acetyloxy)-4-anilino-1-[1,2-di(acetyloxy)ethyl]-4-oxobutyl acetate
cas: 7356-85-6
chemspiderid: 104318
dtxsid: DTXSID20281172
formula: C22H27N1O11
inchikey: UOVCYSVLSRDMIY-UHFFFAOYSA-N
norman_susdat_id: NS00016841
pubchem_cid: 228056
smiles: CC(=O)OCC(C(C(C(C(=O)NC1=CC=CC=C1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
inchi:
InChI=1S/C22H27NO11/c1-12(24)30-11-18(31-13(2)25)19(32-14(3)26)20(33-15(4)27)21(34-16(5)28)22(29)23-17-9-7-6-8-10-17/h6-10,18-21H,11H2,1-5H3,(H,23,29)


name: N-[2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-5-(dipentylamino)phenyl]acetamide
cas: 73567-44-9
formula: C25H32ClN6O3
inchikey: AHZLBMBTQAAODC-UHFFFAOYSA-N
norman_susdat_id: NS00058940
pubchem_cid: 3018447
smiles: N#CC1=CC(=CC(Cl)=C1N=NC2=CC=C(C=C2NC(=O)C)N(CCCCC)CCCCC)[N+](=O)[O-]
inchi:
InChI=1/C25H31ClN6O3/c1-4-6-8-12-31(13-9-7-5-2)20-10-11-23(24(16-20)28-18(3)33)29-30-25-19(17-27)14-21(32(34)35)15-22(25)26/h10-11,14-16H,4-9,12-13H2,1-3H3,(H,28,33)


name: Sodium 6-hydroxy-5-[[4-(o-tolylazo)-o-tolyl]azo]naphthalene-2-sulphonate
cas: 7357-71-3
dtxsid: DTXSID30884375
formula: C24H20N4O4S
inchikey: RSZYTBANKQJAPB-UHFFFAOYSA-M
norman_susdat_id: NS00043733
pubchem_cid: 165595
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(N=NC=4C=CC=CC4C)C=C3C)=C1
inchi:
InChI=1/C24H20N4O4S.Na/c1-15-5-3-4-6-21(15)26-25-18-8-11-22(16(2)13-18)27-28-24-20-10-9-19(33(30,31)32)14-17(20)7-12-23(24)29;/h3-14,29H,1-2H3,(H,30,31,32);/q;+1/p-1


name: 3,7-bis(diethylamino)phenoxazin-5-ium nitrate
cas: 73570-52-2
formula: C20H26N3O.NO3
inchikey: FINMBCOJZNNVJY-UHFFFAOYSA-N
norman_susdat_id: NS00089808
smiles: CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-][N+](=O)[O-]
inchi:
InChI=1/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1


name: p-phenylenebis[(2-hydroxyethyl)dimethylammonium] dichloride
cas: 73570-67-9
dtxsid: DTXSID40994358
formula: C14H26N2O2
inchikey: CJSMGFYWWBFTCN-UHFFFAOYSA-L
norman_susdat_id: NS00059427
pubchem_cid: 44148728
smiles: [Cl-].[Cl-].OCC[N+](C1=CC=C(C=C1)[N+](C)(C)CCO)(C)C
inchi:
InChI=1/C14H26N2O2.2ClH/c1-15(2,9-11-17)13-5-7-14(8-6-13)16(3,4)10-12-18;;/h5-8,17-18H,9-12H2,1-4H3;2*1H/q+2;;/p-2


name: Formoterol
cas: 73573-87-2
chebiid: CHEBI:63082
chemspiderid: 3292
dtxsid: DTXSID1023077
formula: C19H24N2O4
inchikey: BPZSYCZIITTYBL-UHFFFAOYSA-N
norman_susdat_id: NS00008796
pubchem_cid: 3410
smiles: COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
inchi:
InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)


name: Mevastatin
cas: 73573-88-3
chemspiderid: 2752
dtxsid: DTXSID4040684
formula: C23H34O5
inchikey: AJLFOPYRIVGYMJ-UHFFFAOYSA-N
norman_susdat_id: NS00004942
pubchem_cid: 2854
smiles: CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
inchi:
InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3


name: Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) adipate
cas: 7359-19-5
dtxsid: DTXSID20994376
formula: C22H30O4
inchikey: RJNJIAYRAOAFLX-UHFFFAOYSA-N
norman_susdat_id: NS00043758
pubchem_cid: 110972
smiles: O=C(OCC1CC2C=CC1C2)CCCCC(=O)OCC3CC4C=CC3C4
inchi:
InChI=1/C22H30O4/c23-21(25-13-19-11-15-5-7-17(19)9-15)3-1-2-4-22(24)26-14-20-12-16-6-8-18(20)10-16/h5-8,15-20H,1-4,9-14H2


name: Omeprazole
cas: 73590-58-6
chebiid: CHEBI:91766
chemspiderid: 4433
dtxsid: DTXSID6021080
formula: C17H19N3O3S1
inchikey: SUBDBMMJDZJVOS-UHFFFAOYSA-N
norman_susdat_id: NS00003806
pubchem_cid: 4594
smiles: COC1=CC2=C(NC(=N2)S(=O)CC2=C(C)C(OC)=C(C)C=N2)C=C1
inchi:
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)


name: Omeprazole sulfide
cas: 73590-85-9
chemspiderid: 137229
dtxsid: DTXSID7057816
formula: C17H19N3O2S1
inchikey: XURCIPRUUASYLR-UHFFFAOYSA-N
norman_susdat_id: NS00037535
pubchem_cid: 155794
smiles: COc1ccc2nc([nH]c2c1)SCc1ncc(C)c(OC)c1C
inchi:
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)


name: Aniline, N,N'-1,4-anthraquinonylenebis(4-phenoxy-
cas: 73598-77-3
chemspiderid: 46895
dtxsid: DTXSID10223783
formula: C38H26N2O4
inchikey: BANNVGIXDQIHCI-UHFFFAOYSA-N
norman_susdat_id: NS00037536
pubchem_cid: 51823
smiles: O=C1c2c(cccc2)C(=O)c2c1c(Nc1ccc(Oc3ccccc3)cc1)ccc2Nc1ccc(Oc2ccccc2)cc1
inchi:
InChI=1S/C38H26N2O4/c41-37-31-13-7-8-14-32(31)38(42)36-34(40-26-17-21-30(22-18-26)44-28-11-5-2-6-12-28)24-23-33(35(36)37)39-25-15-19-29(20-16-25)43-27-9-3-1-4-10-27/h1-24,39-40H


name: 2-Ethylhexanoic acid triglyceride
cas: 7360-38-5
chemspiderid: 99618
dtxsid: DTXSID00864043
formula: C27H50O6
inchikey: DGSZGZSCHSQXFV-UHFFFAOYSA-N
norman_susdat_id: NS00009887
pubchem_cid: 110973
smiles: CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
inchi:
InChI=1S/C27H50O6/c1-7-13-16-21(10-4)25(28)31-19-24(33-27(30)23(12-6)18-15-9-3)20-32-26(29)22(11-5)17-14-8-2/h21-24H,7-20H2,1-6H3


name: N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
cas: 73602-42-3
dtxsid: DTXSID90896030
formula: C13H10F17NO
inchikey: UIDMHGBETJKWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00112132
smiles: CCCCNC(=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/C13H10F17NO/c1-2-3-4-31-5(32)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3,(H,31,32)


name: N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
cas: 73602-45-6
dtxsid: DTXSID30896155
formula: C13H12F13NO
inchikey: GENXHGFFMLZNRU-UHFFFAOYSA-N
norman_susdat_id: NS00110083
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCCC1
inchi:
InChI=1S/C13H12F13NO/c14-8(15,7(28)27-6-4-2-1-3-5-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6H,1-5H2,(H,27,28)


name: N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
cas: 73602-46-7
dtxsid: DTXSID00896167
formula: C15H12F17NO
inchikey: ISODSYQUAODSLH-UHFFFAOYSA-N
norman_susdat_id: NS00109032
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(=O)NC1CCCCC1
inchi:
InChI=1S/C15H12F17NO/c16-8(17,7(34)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6H,1-5H2,(H,33,34)


name: 11-chloroperfluoro-3-oxaundecanesulfonyl fluoride
cas: 73606-15-2
chemspiderid: 26554137
dtxsid: DTXSID80510950
formula: C10Cl1F21O3S1
inchikey: UQBUBNOZWZCKIV-UHFFFAOYSA-N
norman_susdat_id: NS00019226
pubchem_cid: 12829600
smiles: FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(F)(=O)=O
inchi:
InChI=1S/C10ClF21O3S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34


name: Potassium 9-chlorohexadecafluoro-3-oxanonane-1-sulfonate
cas: 73606-19-6
chemspiderid: 21442077
dtxsid: DTXSID60881236
formula: C8H1Cl1F16O4S1
inchikey: OWQCHLFKOGVODW-UHFFFAOYSA-M
norman_susdat_id: NS00019227
pubchem_cid: 25210512
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
inchi:
InChI=1S/C8HClF16O4S/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28/h(H,26,27,28)


name: Dichloromethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 73609-36-6
dtxsid: DTXSID00223797
formula: C9H7Cl2F13Si
inchikey: ZWTVXVXHLIUGIF-UHFFFAOYSA-N
norman_susdat_id: NS00059399
pubchem_cid: NA
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(Cl)Cl
inchi:
InChI=1/C9H7Cl2F13Si/c10-3(11)25-2-1-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h3H,1-2,25H2


name: Barium bis[6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonate]
cas: 73612-34-7
dtxsid: DTXSID90891080
inchikey: LKTQCHMFZBUPRO-UHFFFAOYSA-M
norman_susdat_id: NS00076493
smiles: Cc1cc(c(cc1Cl)NN=C1C(=O)C=Cc2ccccc12)S(=O)(=O)[O-]
inchi:
InChI=1S/C17H13ClN2O4S/c1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,19H,1H3,(H,22,23,24)/p-1


name: 1-Hydroxy-4-((2-methoxyphenyl)amino)anthraquinone
cas: 73615-74-4
chemspiderid: 17333518
dtxsid: DTXSID30223801
formula: C21H15N1O4
inchikey: OYLXVFVDAAGGPL-UHFFFAOYSA-N
norman_susdat_id: NS00037537
pubchem_cid: 16205300
smiles: COc1ccccc1Nc1c2C(=O)c3ccccc3C(=O)c2c(O)cc1
inchi:
InChI=1S/C21H15NO4/c1-26-17-9-5-4-8-14(17)22-15-10-11-16(23)19-18(15)20(24)12-6-2-3-7-13(12)21(19)25/h2-11,22-23H,1H3


name: Aniline, 2,4-bis(o-methylphenoxy)-
cas: 73637-04-4
chemspiderid: 46991
dtxsid: DTXSID80223851
formula: C20H19N1O2
inchikey: LHEPTIRLRDQRQR-UHFFFAOYSA-N
norman_susdat_id: NS00037539
pubchem_cid: 51951
smiles: Cc1ccccc1Oc1c(N)ccc(Oc2c(C)cccc2)c1
inchi:
InChI=1S/C20H19NO2/c1-14-7-3-5-9-18(14)22-16-11-12-17(21)20(13-16)23-19-10-6-4-8-15(19)2/h3-13H,21H2,1-2H3


name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
cas: 73644-43-6
dtxsid: DTXSID90335454
formula: C19H24N2OS
inchikey: ZIJWCRNUEBJMSQ-UHFFFAOYSA-N
norman_susdat_id: NS00096928
smiles: CC(C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C)O
inchi:
InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3


name: Tetradecyl heptafluorobutanoate
cas: 7365-36-8
dtxsid: DTXSID00895655
formula: C18H29F7O2
inchikey: QIUJCCVBRUUHMI-UHFFFAOYSA-N
norman_susdat_id: NS00108994
smiles: CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3


name: N2-[N-(N-acetyl-L-leucyl)-L-leucyl]-L-arginine sulphate
cas: 73655-05-7
dtxsid: DTXSID40994454
formula: C20H38N6O5
inchikey: IJIKUUTWIAOPKK-NLQWVURJSA-N
norman_susdat_id: NS00059429
pubchem_cid: 44150302
smiles: O=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C)CCCNC(=N)N.O=S(=O)(O)O
inchi:
InChI=1/C20H38N6O5.H2O4S/c1-11(2)9-15(24-13(5)27)17(28)26-16(10-12(3)4)18(29)25-14(19(30)31)7-6-8-23-20(21)22;1-5(2,3)4/h11-12,14-16H,6-10H2,1-5H3,(H,24,27)(H,25,29)(H,26,28)(H,30,31)(H4,21,22,23);(H2,1,2,3,4)


name: Indecainide
cas: 73681-12-6
chebiid: CHEBI:135314
dtxsid: DTXSID2057819
formula: C20H24N2O
inchikey: UCEWGESNIULAGX-UHFFFAOYSA-N
norman_susdat_id: NS00068759
pubchem_cid: 52195
smiles: CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21
inchi:
InChI=1S/C20H24N2O/c1-14(2)22-13-7-12-20(19(21)23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h3-6,8-11,14,22H,7,12-13H2,1-2H3,(H2,21,23)


name: 5,6-diaminonaphthalene-1,3-disulphonic acid
cas: 73692-57-6
dtxsid: DTXSID00994551
formula: C10H10N2O6S2
inchikey: KHEHRJJAWUJGDW-UHFFFAOYSA-N
norman_susdat_id: NS00060477
pubchem_cid: 174421
smiles: O=S(=O)(O)C=1C=C2C(N)=C(N)C=CC2=C(C1)S(=O)(=O)O
inchi:
InChI=1/C10H10N2O6S2/c11-8-2-1-6-7(10(8)12)3-5(19(13,14)15)4-9(6)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)


name: 1-Phenyl-7H-benz(de)anthracen-7-one
cas: 73693-78-4
chemspiderid: 21162965
dtxsid: DTXSID70223986
formula: C23H14O1
inchikey: LXKMGEHDGRTGNG-UHFFFAOYSA-N
norman_susdat_id: NS00037546
pubchem_cid: 12547034
smiles: O=C1c2ccccc2c2c(ccc3c2c1ccc3)c1ccccc1
inchi:
InChI=1S/C23H14O/c24-23-19-11-5-4-10-18(19)22-17(15-7-2-1-3-8-15)14-13-16-9-6-12-20(23)21(16)22/h1-14H


cas: 736992-21-5
dtxsid: DTXSID50471988
formula: C32H49N9O5
inchikey: SFVLTCAESLKEHH-WKAQUBQDSA-N
norman_susdat_id: NS00072504
pubchem_cid: 11764719
smiles: Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
name:
6-amino-2-[2-(2-amino-5-carbamimidamidopentanamido)-3-(4-hydroxy-2,6-dimethylphenyl)propanamido]-n-(1-carbamoyl-2-phenylethyl)hexanamide

inchi:
InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1


name: Cyantraniliprole
cas: 736994-63-1
chebiid: CHEBI:132300
chemspiderid: 9753377
dtxsid: DTXSID2058174
formula: C19H14Br1Cl1N6O2
inchikey: DVBUIBGJRQBEDP-UHFFFAOYSA-N
norman_susdat_id: NS00040712
pubchem_cid: 11578610
smiles: CNC(=O)c1cc(cc(C)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C#N
inchi:
InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)


name: Diatrizoate sodium
cas: 737-31-5
chebiid: CHEBI:53692
dtxsid: DTXSID7022912
formula: C11H8I3N2NaO4
inchikey: ZEYOIOAKZLALAP-UHFFFAOYSA-M
norman_susdat_id: NS00076382
smiles: [Na+].CC(=O)NC1=C(I)C(C([O-])=O)=C(I)C(NC(C)=O)=C1I
inchi:
InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1


name: Glycerides, C14 tri
cas: 7370-46-9
chebiid: CHEBI:140929
chemspiderid: 3496974
dtxsid: DTXSID20224004
formula: C48H92O6
inchikey: CLJLWABDLPQTHL-UHFFFAOYSA-N
norman_susdat_id: NS00095788
pubchem_cid: 4290702
smiles: CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
inchi:
InChI=1S/C48H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-46(49)52-43-45(54-48(51)42-39-36-33-30-27-24-21-18-15-12-9-6-3)44-53-47(50)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h45H,4-44H2,1-3H3


name: 2-[[(4-chlorophenyl)methylhydrazono]methyl]-1-ethyl-3,3-dimethyl-3H-indolium chloride
cas: 73718-63-5
dtxsid: DTXSID80994594
formula: C20H23ClN3
inchikey: HNXRBBUGAWCNFV-UHFFFAOYSA-M
norman_susdat_id: NS00061211
pubchem_cid: NA
smiles: [Cl-].ClC1=CC=C(C=C1)N(N=CC2=[N+](C=3C=CC=CC3C2(C)C)CC)C
inchi:
InChI=1/C20H23ClN3.ClH/c1-5-24-18-9-7-6-8-17(18)20(2,3)19(24)14-22-23(4)16-12-10-15(21)11-13-16;/h6-14H,5H2,1-4H3;1H/q+1;/p-1


name: 3-((1,1-Dimethylethyl)dithio)-N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-alanine
cas: 73724-43-3
chemspiderid: 2588790
dtxsid: DTXSID90224036
formula: C22H25N1O4S2
inchikey: ZDUMTHLUTJOUML-IBGZPJMESA-N
norman_susdat_id: NS00037550
pubchem_cid: 16213190
smiles: CC(C)(C)SSCC(NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)O
inchi:
InChI=1S/C22H25NO4S2/c1-22(2,3)29-28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1


name: 4-[4-methoxy-3-[2-(4-phenyl-1-piperazinyl)ethoxy]phenyl]pyrrolidin-2-one
cas: 73725-74-3
dtxsid: DTXSID20994598
formula: C23H29N3O3
inchikey: LJIYALDEFRXWMW-UHFFFAOYSA-N
norman_susdat_id: NS00060157
pubchem_cid: 3018452
smiles: O=C1NCC(C2=CC=C(OC)C(OCCN3CCN(C=4C=CC=CC4)CC3)=C2)C1
inchi:
InChI=1/C23H29N3O3/c1-28-21-8-7-18(19-16-23(27)24-17-19)15-22(21)29-14-13-25-9-11-26(12-10-25)20-5-3-2-4-6-20/h2-8,15,19H,9-14,16-17H2,1H3,(H,24,27)


name: Ethyl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
cas: 73734-07-3
dtxsid: DTXSID20994619
formula: C15H20N4O2
inchikey: IMLIPHSGYFXWAA-UHFFFAOYSA-N
norman_susdat_id: NS00059587
pubchem_cid: 3018455
smiles: O=C(OCC)N1CCC(NC2=NC=3C=CC=CC3N2)CC1
inchi:
InChI=1/C15H20N4O2/c1-2-21-15(20)19-9-7-11(8-10-19)16-14-17-12-5-3-4-6-13(12)18-14/h3-6,11H,2,7-10H2,1H3,(H2,16,17,18)


cas: 73754-27-5
chemspiderid: 10670165
dtxsid: DTXSID5072771
formula: C45H71N1O6
inchikey: SKMNWICOBCDSSQ-UHFFFAOYSA-N
norman_susdat_id: NS00006923
pubchem_cid: 14817840
smiles: CC(C)(C)c1cc(CCC(=O)OCCN2C(C)(C)CC(CC2(C)C)OC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
name:
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1-[2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]ethyl]-2,2,6,6-tetramethyl-4-piperidinyl ester

inchi:
InChI=1S/C45H71NO6/c1-40(2,3)32-23-29(24-33(38(32)49)41(4,5)6)17-19-36(47)51-22-21-46-44(13,14)27-31(28-45(46,15)16)52-37(48)20-18-30-25-34(42(7,8)9)39(50)35(26-30)43(10,11)12/h23-26,31,49-50H,17-22,27-28H2,1-16H3


name: Rhodium(II) perfluorobutyrate dimer
cas: 73755-28-9
dtxsid: DTXSID90896994
formula: C16F28O8Rh2
inchi: InChI=1S/4C4HF7O2.2Rh/c4*5-2(6,1(12)13)3(7,8)4(9,10)11;;/h4*(H,12,13);;/q;;;;2*+2/p-4
inchikey: BNCXPORMMOBRMR-UHFFFAOYSA-J
norman_susdat_id: NS00112205
smiles:
[Rh++].[Rh++].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F


name: 2-[[4-[(2-cyano-3-nitrophenyl)azo]-2-chlorophenyl](2-acetoxyethyl)amino]ethyl acetate
cas: 73755-70-1
formula: C21H21ClN5O6
inchikey: ZREHDGMXRYSCBE-UHFFFAOYSA-N
norman_susdat_id: NS00059608
pubchem_cid: 3018457
smiles: N#CC=1C(N=NC2=CC=C(C(Cl)=C2)N(CCOC(=O)C)CCOC(=O)C)=CC=CC1[N+](=O)[O-]
inchi:
InChI=1/C21H20ClN5O6/c1-14(28)32-10-8-26(9-11-33-15(2)29)21-7-6-16(12-18(21)22)24-25-19-4-3-5-20(27(30)31)17(19)13-23/h3-7,12H,8-11H2,1-2H3


name: 2-tetradecyloctadecanoic acid
cas: 73756-39-5
dtxsid: DTXSID90994646
formula: C32H64O2
inchikey: FYYGCTQPBDNICZ-UHFFFAOYSA-N
norman_susdat_id: NS00060160
pubchem_cid: 3018460
smiles: O=C(O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H64O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h31H,3-30H2,1-2H3,(H,33,34)


name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]amino]-
cas: 7376-52-5
chemspiderid: 73858
dtxsid: DTXSID2064650
formula: C38H42N2O12
inchikey: CSTONOUGGVBVQC-UHFFFAOYSA-N
norman_susdat_id: NS00037554
pubchem_cid: 81849
smiles: OCCOCCOCCOc1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(OCCOCCOCCO)cc4)c2C3=O)cc1
inchi:
InChI=1S/C38H42N2O12/c41-13-15-47-17-19-49-21-23-51-27-5-1-25(2-6-27)39-29-9-11-31(43)35-33(29)37(45)36-32(44)12-10-30(34(36)38(35)46)40-26-3-7-28(8-4-26)52-24-22-50-20-18-48-16-14-42/h1-12,39-44H,13-24H2


name: 2-icosyltetracosanol
cas: 73761-81-6
dtxsid: DTXSID10994668
formula: C44H90O
inchikey: JSIOIMBOKALMPC-UHFFFAOYSA-N
norman_susdat_id: NS00059609
pubchem_cid: 3018461
smiles: OCC(CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C44H90O/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44(43-45)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h44-45H,3-43H2,1-2H3


name: NSC 288669
cas: 73768-43-1
chebiid: CHEBI:135690
chemspiderid: 64260
dtxsid: DTXSID20224120
formula: C22H22N2O5S1
inchikey: VZPPEUOYDWPUKO-MQWDNKACSA-N
norman_susdat_id: NS00011633
pubchem_cid: 71107
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)Oc4ccccc4)C(=O)O)C
inchi:
InChI=1S/C22H22N2O5S/c1-22(2)17(21(27)28)24-19(26)15(20(24)30-22)23-18(25)16(13-9-5-3-6-10-13)29-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,23,25)(H,27,28)/t15-,16?,17+,20-/m1/s1


name: Prednicarbate
cas: 73771-04-7
chemspiderid: 47402
dtxsid: DTXSID9045502
formula: C27H36O8
inchikey: FNPXMHRZILFCKX-UHFFFAOYSA-N
norman_susdat_id: NS00003795
pubchem_cid: 52421
smiles: CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(=O)CC
inchi:
InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3


cas: 73772-32-4
chemspiderid: 151237
dtxsid: DTXSID4041286
formula: C14H19F13N2O6S2
inchikey: PICDOBBGSXEWGK-QMMMGPOBSA-N
norman_susdat_id: NS00011427
pubchem_cid: 99689374
smiles: CN(C)CCCN(CC(CS(=O)(=O)[O-])O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]
name:
1-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(tridecafluorohexyl)sulfonyl]amino]-2-hydroxy-, monosodium salt

inchi:
InChI=1S/C14H19F13N2O6S2.Na/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h8,30H,3-7H2,1-2H3,(H,31,32,33);/q;+1/p-1


name: N-[3-(Dimethylamino)propyl]-perfluoro-1-hexanesulfonamide acetate
cas: 73772-33-5
dtxsid: DTXSID0072772
formula: C13H17F13N2O4S
inchikey: MXVCYFOUHPOTLU-UHFFFAOYSA-N
norman_susdat_id: NS00108838
smiles: CC(O)=O.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H13F13N2O2S.C2H4O2/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22;1-2(3)4/h25H,3-5H2,1-2H3;1H3,(H,3,4)


name: N-[3-Dimethylaminopropyl]-N-2-[2-(2-hydroxyethoxy)ethoxy]ethylperfluorohexanesulfonamide
cas: 73772-34-6
chemspiderid: 2342704
dtxsid: DTXSID5072773
formula: C17H25F13N2O5S1
inchikey: MYUNUXCBXAGDOB-UHFFFAOYSA-N
norman_susdat_id: NS00011336
pubchem_cid: 3085972
smiles: C(N([S](=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOCCOCCO)CCN(C)C
inchi:
InChI=1S/C17H25F13N2O5S/c1-31(2)4-3-5-32(6-8-36-10-11-37-9-7-33)38(34,35)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h33H,3-11H2,1-2H3


name: Glycine, N-[2-[(1-oxododecyl)amino]ethyl]-
cas: 73772-42-6
chemspiderid: 151241
dtxsid: DTXSID5072775
formula: C16H32N2O3
inchikey: VOSXYJCXYDUALE-UHFFFAOYSA-N
norman_susdat_id: NS00037556
pubchem_cid: 173216
smiles: CCCCCCCCCCCC(=O)NCCNCC(=O)O
inchi:
InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-9-10-11-15(19)18-13-12-17-14-16(20)21/h17H,2-14H2,1H3,(H,18,19)(H,20,21)


name: (carboxymethyl)dimethyl-3-[(1-oxodecyl)amino]propylammonium hydroxide
cas: 73772-45-9
dtxsid: DTXSID80891978
formula: C17H35N2O3
inchikey: SWBUAJQBAUEDGM-UHFFFAOYSA-N
norman_susdat_id: NS00060165
pubchem_cid: 21125125
smiles: [OH-].O=C(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCC
inchi:
InChI=1/C17H34N2O3.H2O/c1-4-5-6-7-8-9-10-12-16(20)18-13-11-14-19(2,3)15-17(21)22;/h4-15H2,1-3H3,(H-,18,20,21,22);1H2


name: (carboxymethyl)dimethyl-3-[(1-oxooctyl)amino]propylammonium hydroxide
cas: 73772-46-0
dtxsid: DTXSID6052825
formula: C15H31N2O3
inchikey: NYRZVNFMNOUXFZ-UHFFFAOYSA-N
norman_susdat_id: NS00061287
pubchem_cid: 21125126
smiles: [OH-].O=C(O)C[N+](C)(C)CCCNC(=O)CCCCCCC
inchi:
InChI=1/C15H30N2O3.H2O/c1-4-5-6-7-8-10-14(18)16-11-9-12-17(2,3)13-15(19)20;/h4-13H2,1-3H3,(H-,16,18,19,20);1H2


name: Dodecanamide, N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-
cas: 73772-47-1
chemspiderid: 151246
dtxsid: DTXSID0072776
formula: C20H45N5O1
inchikey: BYPXXACLPKXOFX-UHFFFAOYSA-N
norman_susdat_id: NS00037557
pubchem_cid: 173221
smiles: CCCCCCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1S/C20H45N5O/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21/h22-24H,2-19,21H2,1H3,(H,25,26)


name: TAK 385
cas: 737789-87-6
dtxsid: DTXSID40224167
formula: C29H27F2N7O5S
inchikey: AOMXMOCNKJTRQP-UHFFFAOYSA-N
norman_susdat_id: NS00072569
pubchem_cid: 10348973
smiles: CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1
inchi:
InChI=1S/C29H27F2N7O5S/c1-36(2)14-19-24-26(39)38(22-12-13-23(42-3)34-33-22)29(41)37(15-18-20(30)6-5-7-21(18)31)27(24)44-25(19)16-8-10-17(11-9-16)32-28(40)35-43-4/h5-13H,14-15H2,1-4H3,(H2,32,35,40)


name: 4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)amino]benzoic acid
cas: 73782-58-8
dtxsid: DTXSID80896069
formula: C15H8F15NO2
inchikey: RUESXSNSDAABBG-UHFFFAOYSA-N
norman_susdat_id: NS00111784
smiles: OC(=O)c1ccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C15H8F15NO2/c16-9(17,5-31-7-3-1-6(2-4-7)8(32)33)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h1-4,31H,5H2,(H,32,33)


name: N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine dihydrochloride
cas: 73785-35-0
formula: C10H16N6S.2ClH
inchikey: NEXYNVYEWBRXBG-UHFFFAOYSA-N
norman_susdat_id: NS00090212
smiles: Cl.Cl.CN\C(=N\CCSCc1nc[nH]c1C)\NC#N
inchi:
InChI=1/C10H16N6S.2ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);2*1H


name: Sodium N,N'-ethane-1,2-diylbis[N-(carboxymethyl)glycinate
cas: 7379-28-4
formula: C10H16N2O8.xNa
inchikey: HLWRUJAIJJEZDL-UHFFFAOYSA-M
norman_susdat_id: NS00082372
smiles: OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Na])CC(=O)O
inchi:
InChI=1/C10H16N2O8.Na/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;+1/p-1


name: Trimethoprim
cas: 738-70-5
chebiid: CHEBI:45924
chemspiderid: 5376
dtxsid: DTXSID3023712
formula: C14H18N4O3
inchikey: IEDVJHCEMCRBQM-UHFFFAOYSA-N
norman_susdat_id: NS00000211
pubchem_cid: 5578
smiles: COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1OC
eea_notation: CAS_738-70-5
inchi:
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)


name: N-Demethyltramadol
cas: 73806-55-0
chebiid: CHEBI:172338
chemspiderid: 171856
dtxsid: DTXSID50891485
formula: C15H23N1O2
inchikey: VUMQHLSPUAFKKK-UHFFFAOYSA-N
norman_susdat_id: NS00000655
pubchem_cid: 198555
smiles: CNCC1CCCCC1(c2cccc(c2)OC)O
inchi:
InChI=1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,17)12-7-5-8-14(10-12)18-2/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3


name: 2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro-
cas: 7381-13-7
chemspiderid: 73866
dtxsid: DTXSID60864049
formula: C20H24N2O4
inchikey: HXZRLUTUNSQNCG-UHFFFAOYSA-N
norman_susdat_id: NS00001166
pubchem_cid: 81857
smiles: O=C(N1CCCCCC1=O)c1cccc(c1)C(=O)N1CCCCCC1=O
inchi:
InChI=1S/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2


name: Cimoxatone
cas: 73815-11-9
formula: C19H18N2O4
inchikey: MVVJINIUPYKZHR-UHFFFAOYSA-N
norman_susdat_id: NS00061289
pubchem_cid: 52542
smiles: N#CC1=CC=CC(=C1)COC2=CC=C(C=C2)N3C(=O)OC(COC)C3
inchi:
InChI=1/C19H18N2O4/c1-23-13-18-11-21(19(22)25-18)16-5-7-17(8-6-16)24-12-15-4-2-3-14(9-15)10-20/h2-9,18H,11-13H2,1H3


cas: 73816-74-7
formula: C28H24ClN7O10S3
inchikey: KAAYWWJCOOCCSJ-UHFFFAOYSA-K
norman_susdat_id: NS00059610
pubchem_cid: 52582
name:
Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H24ClN7O10S3.3Na/c1-3-36(17-7-5-4-6-8-17)28-32-26(29)31-27(33-28)30-20-14-18(47(38,39)40)12-16-13-22(49(44,45)46)24(25(37)23(16)20)35-34-19-10-9-15(2)11-21(19)48(41,42)43;;;/h4-14,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])C)C(O)=C2C(=C1)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CC)S(=O)(=O)[O-]


cas: 73816-75-8
chebiid: CHEBI:58963
formula: C24H16Cl2N6O10S3
inchikey: XBOVMYYXPJSURC-UHFFFAOYSA-N
norman_susdat_id: NS00060213
pubchem_cid: 93408
name:
2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C24H16Cl2N6O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)

smiles:
O=S(=O)(O)C1=CC=CC=2C1=CC=C(N=NC3=C(O)C4=CC=C(C=C4C=C3S(=O)(=O)O)N(C=5N=C(Cl)N=C(Cl)N5)C)C2S(=O)(=O)O


name: N-(4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)methacrylamide
cas: 7382-23-2
chemspiderid: 73868
dtxsid: DTXSID40224268
formula: C13H10Cl3N3O2
inchikey: BKTNHKCSXCCZBH-UHFFFAOYSA-N
norman_susdat_id: NS00037559
pubchem_cid: 81859
smiles: CC(=C)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl
inchi:
InChI=1S/C13H10Cl3N3O2/c1-6(2)13(21)17-10-5-11(20)19(18-10)12-8(15)3-7(14)4-9(12)16/h3-4H,1,5H2,2H3,(H,17,18,21)


name: 2-[ethyl[3-methyl-4-[(2,4,5-trichlorophenyl)diazo]phenyl]amino]ethyl acrylate
cas: 7383-51-9
formula: C20H20Cl3N3O2
inchikey: YIJLNNAGCWRDLZ-UHFFFAOYSA-N
norman_susdat_id: NS00047108
pubchem_cid: 81862
smiles: O=C(OCCN(C1=CC=C(N=NC2=CC(Cl)=C(Cl)C=C2Cl)C(=C1)C)CC)C=C
inchi:
InChI=1/C20H20Cl3N3O2/c1-4-20(27)28-9-8-26(5-2)14-6-7-18(13(3)10-14)24-25-19-12-16(22)15(21)11-17(19)23/h4,6-7,10-12H,1,5,8-9H2,2-3H3


name: Ltd
cas: 73836-78-9
chebiid: CHEBI:28666
dtxsid: DTXSID20860966
formula: C25H40N2O6S
inchikey: YEESKJGWJFYOOK-IJHYULJSSA-N
norman_susdat_id: NS00069905
pubchem_cid: 5280878
smiles: CCCCC/C=CC/C=CC=CC=C[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O
inchi:
InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1


name: Lithium oleate
cas: 7384-22-7
formula: C18H34O2.Li
inchikey: AVOVSJYQRZMDQJ-KVVVOXFISA-M
norman_susdat_id: NS00082784
smiles: [Li+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: 5H-Benzo[a]phenoxazin-5-one, 9-(diethylamino)-
cas: 7385-67-3
chebiid: CHEBI:52169
chemspiderid: 58681
dtxsid: DTXSID7064653
formula: C20H18N2O2
inchikey: VOFUROIFQGPCGE-UHFFFAOYSA-N
norman_susdat_id: NS00037565
pubchem_cid: 65182
smiles: CCN(CC)c1ccc2nc3c(oc2c1)cc(=O)c1c3cccc1
inchi:
InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3


name: Ranitidine-S-oxide
cas: 73851-70-4
chebiid: CHEBI:83497
chemspiderid: 2298464
dtxsid: DTXSID90891464
formula: C13H22N4O4S1
inchikey: SKHXRNHSZTXSLP-UHFFFAOYSA-N
norman_susdat_id: NS00000375
pubchem_cid: 3033889
smiles: [O-][N+](=O)C=C(/NC)NCCS(=O)Cc1oc(cc1)CN(C)C
inchi:
InChI=1/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3


name: Ranitidine-N-oxide
cas: 73857-20-2
chemspiderid: 2298463
dtxsid: DTXSID50891465
formula: C13H22N4O4S1
inchikey: DFJVUWAHTQPQCV-MDWZMJQESA-N
norman_susdat_id: NS00000376
pubchem_cid: 3033888
smiles: c1(oc(CSCCNC(=C[N+](=O)[O-])NC)cc1)CN(C)(C)=O
inchi:
InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+


name: 8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
cas: 738606-46-7
chebiid: CHEBI:149601
formula: C19H36O5
inchikey: HYHMLYSLQUKXKP-UHFFFAOYSA-N
norman_susdat_id: NS00069642
pubchem_cid: 10472693
smiles: CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O
inchi:
InChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)


name: 2-[[4-[bis[2-(1-oxopropoxy)ethyl]amino]-2-chlorophenyl]azo]-5-nitrobenzonitrile
cas: 73862-12-1
formula: C23H25ClN5O6
inchikey: WJYMHQGRBUEXPP-UHFFFAOYSA-N
norman_susdat_id: NS00059634
pubchem_cid: 3018466
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2Cl)N(CCOC(=O)CC)CCOC(=O)CC)[N+](=O)[O-]
inchi:
InChI=1/C23H24ClN5O6/c1-3-22(30)34-11-9-28(10-12-35-23(31)4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3


name: Disodium 4-octyl 2-sulphonatosuccinate
cas: 7389-41-5
dtxsid: DTXSID00995028
formula: C12H22O7S
inchikey: HNINHOHKYCRTTM-UHFFFAOYSA-L
norman_susdat_id: NS00047094
pubchem_cid: 11970350
smiles: [Na+].[Na+].O=C(OCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C12H22O7S.2Na/c1-2-3-4-5-6-7-8-19-11(13)9-10(12(14)15)20(16,17)18;;/h10H,2-9H2,1H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2


name: 11-Oxoetiocholanolone
cas: 739-27-5
chebiid: CHEBI:34135
chemspiderid: 92021
formula: C19H28O3
inchikey: IUNYGQONJQTULL-UKZLPJRTSA-N
norman_susdat_id: NS00018323
pubchem_cid: 101850
smiles: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4=O)C)O
inchi:
InChI=1S/C19H28O3/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/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1


name: Trimipramine
cas: 739-71-9
chebiid: CHEBI:9738
chemspiderid: 5382
dtxsid: DTXSID8023715
formula: C20H26N2
inchikey: ZSCDBOWYZJWBIY-UHFFFAOYSA-N
norman_susdat_id: NS00000421
pubchem_cid: 5584
smiles: CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C
inchi:
InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3


name: 4-[2,6-bis(4-chlorophenyl)-4-pyridyl]-N,N-dimethylaniline
cas: 73910-97-1
dtxsid: DTXSID60995069
formula: C25H20Cl2N2
inchikey: YDPVTJYRGIAUIY-UHFFFAOYSA-N
norman_susdat_id: NS00061325
pubchem_cid: 3018467
smiles: ClC=1C=CC(=CC1)C=2N=C(C=C(C2)C=3C=CC(=CC3)N(C)C)C=4C=CC(Cl)=CC4
inchi:
InChI=1/C25H20Cl2N2/c1-29(2)23-13-7-17(8-14-23)20-15-24(18-3-9-21(26)10-4-18)28-25(16-20)19-5-11-22(27)12-6-19/h3-16H,1-2H3


name: 4,8-Dicyclohexyl-2,10-dimethyl-6-(octadecyloxy)-12H-dibenzo(d,g)(1,3,2)dioxaphosphocin
cas: 73912-20-6
chemspiderid: 21162973
dtxsid: DTXSID80224505
formula: C45H71O3P1
inchikey: WBZZEDPMJDXDFA-UHFFFAOYSA-N
norman_susdat_id: NS00037571
pubchem_cid: 44148370
smiles: CCCCCCCCCCCCCCCCCCOP1Oc2c(cc(C)cc2Cc2cc(C)cc(C3CCCCC3)c2O1)C1CCCCC1
inchi:
InChI=1S/C45H71O3P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-46-49-47-44-40(31-36(2)33-42(44)38-26-21-19-22-27-38)35-41-32-37(3)34-43(45(41)48-49)39-28-23-20-24-29-39/h31-34,38-39H,4-30,35H2,1-3H3


name: 12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 4,8-dicyclohexyl-6-hydroxy-2,10-dimethyl-
cas: 73912-21-7
chemspiderid: 145681
dtxsid: DTXSID0072778
formula: C27H35O3P1
inchikey: PFUFEQATNPTGNA-UHFFFAOYSA-N
norman_susdat_id: NS00020704
pubchem_cid: 166434
smiles: Cc1cc(C2CCCCC2)c2OP(O)Oc3c(cc(C)cc3Cc2c1)C1CCCCC1
inchi:
InChI=1S/C27H35O3P/c1-18-13-22-17-23-14-19(2)16-25(21-11-7-4-8-12-21)27(23)30-31(28)29-26(22)24(15-18)20-9-5-3-6-10-20/h13-16,20-21,28H,3-12,17H2,1-2H3


cas: 73912-24-0
dtxsid: DTXSID70995070
formula: C42H49O4P
inchikey: SVTSAXSWFMCSCB-UHFFFAOYSA-N
norman_susdat_id: NS00061326
pubchem_cid: 56843637
smiles: OC1=CC=C(C=C1)C(C2=CC=C(OP3OC=4C(=CC(=CC4C5CCCCC5)C)CC6=CC(=CC(=C6O3)C7CCCCC7)C)C=C2)(C)C
name:
4-[1-[4-[(4,8-dicyclohexyl-2,10-dimethyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-yl)oxy]phenyl]isopropyl]phenol

inchi:
InChI=1/C42H49O4P/c1-28-23-32-27-33-24-29(2)26-39(31-13-9-6-10-14-31)41(33)46-47(45-40(32)38(25-28)30-11-7-5-8-12-30)44-37-21-17-35(18-22-37)42(3,4)34-15-19-36(43)20-16-34/h15-26,30-31,43H,5-14,27H2,1-4H3


name: N,N,N,N',N'-pentamethyl-N'-octadecyl-N,N'-trimethylenediammonium dichloride
cas: 7392-72-5
dtxsid: DTXSID50995073
formula: C26H58N2
inchikey: NYBAJADFNDEMBO-UHFFFAOYSA-L
norman_susdat_id: NS00047096
pubchem_cid: 160890
smiles: [Cl-].[Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)C
inchi:
InChI=1/C26H58N2.2ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(5,6)26-23-24-27(2,3)4;;/h7-26H2,1-6H3;2*1H/q+2;;/p-2


name: Tributyl(2,4,5-trichlorophenoxy)stannane
cas: 73927-98-7
dtxsid: DTXSID80224565
formula: C18H29Cl3OSn
inchikey: FJUXTGREXZMJIU-UHFFFAOYSA-M
norman_susdat_id: NS00061327
pubchem_cid: 16683766
smiles: ClC=1C=C(Cl)C(O[Sn](CCCC)(CCCC)CCCC)=CC1Cl
inchi:
InChI=1/C6H3Cl3O.3C4H9.Sn/c7-3-1-5(9)6(10)2-4(3)8;3*1-3-4-2;/h1-2,10H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H29Cl3OSn/c1-4-7-10-23(11-8-5-2,12-9-6-3)22-18-14-16(20)15(19)13-17(18)21/h13-14H,4-12H2,1-3H3


name: Acetophenone, 2-(1-imidazolyl)-4'-phenethyl-
cas: 73931-88-1
chemspiderid: 47665
dtxsid: DTXSID40224586
formula: C19H18N2O1
inchikey: FHCUFTBEPZKVMR-UHFFFAOYSA-N
norman_susdat_id: NS00037577
pubchem_cid: 52758
smiles: O=C(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1
inchi:
InChI=1S/C19H18N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15H,6-7,14H2


name: Denzimol
cas: 73931-96-1
formula: C19H20N2O
inchikey: IAWIJHCUEPVIOO-UHFFFAOYSA-N
norman_susdat_id: NS00089921
smiles: OC(Cn1ccnc1)c2ccc(CCc3ccccc3)cc2
inchi:
InChI=1/C19H20N2O/c22-19(14-21-13-12-20-15-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,15,19,22H,6-7,14H2


name: Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-
cas: 73936-91-1
chemspiderid: 7979113
dtxsid: DTXSID4072780
formula: C29H35N3O1
inchikey: UZUNCLSDTUBVCN-UHFFFAOYSA-N
norman_susdat_id: NS00005141
pubchem_cid: 9803353
smiles: CC(C)(C)CC(C)(C)c1cc(c(O)c(c1)C(C)(C)c1ccccc1)-n1nc2ccccc2n1
inchi:
InChI=1S/C29H35N3O/c1-27(2,3)19-28(4,5)21-17-22(29(6,7)20-13-9-8-10-14-20)26(33)25(18-21)32-30-23-15-11-12-16-24(23)31-32/h8-18,33H,19H2,1-7H3


name: Anagliptin Hydrochloride
cas: 739366-20-2
chebiid: CHEBI:136043
formula: C19H25N7O2
inchikey: LDXYBEHACFJIEL-HNNXBMFYSA-N
norman_susdat_id: NS00072938
pubchem_cid: 44513473
smiles: Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1
inchi:
InChI=1S/C19H25N7O2/c1-13-7-16-21-9-14(11-26(16)24-13)18(28)22-12-19(2,3)23-10-17(27)25-6-4-5-15(25)8-20/h7,9,11,15,23H,4-6,10,12H2,1-3H3,(H,22,28)/t15-/m0/s1


name: Hydrazine, 1-(m-methoxybenzoyl)-2-(1-naphthoyl)-
cas: 73941-12-5
chemspiderid: 47695
dtxsid: DTXSID80224626
formula: C19H16N2O3
inchikey: MMJQUHDGIXJLMO-UHFFFAOYSA-N
norman_susdat_id: NS00037580
pubchem_cid: 52790
smiles: COc1cccc(c1)C(=O)NNC(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C19H16N2O3/c1-24-15-9-4-8-14(12-15)18(22)20-21-19(23)17-11-5-7-13-6-2-3-10-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)


name: 6R-Leucovorin
cas: 73951-54-9
dtxsid: DTXSID10224654
formula: C20H23N7O7
inchikey: VVIAGPKUTFNRDU-OLZOCXBDSA-N
norman_susdat_id: NS00070482
smiles: Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2
inchi:
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1


name: Avoparcin a
cas: 73957-86-5
formula: C89H102ClN9O36
inchikey: JWFVWARSGMYXRN-HTQQBIQNSA-N
norman_susdat_id: NS00066758
pubchem_cid: 20055225
inchi:
InChI=1/C89H102ClN9O36/c1-31-67(106)47(91)26-58(124-31)130-52-28-53-46(90)20-38(52)21-49-80(116)98-65(86(122)123)45-24-41(103)25-51(105)60(45)44-19-37(11-18-50(44)104)63(82(118)94-49)96-84(120)64-39-22-54(78(55(23-39)129-53)135-89-79(74(113)71(110)57(30-101)132-89)133-59-27-48(92)68(107)32(2)125-59)127-42-16-9-36(10-17-42)77(134-88-76(115)73(112)70(109)56(29-100)131-88)66(85(121)95-62(83(119)97-64)35-5-12-40(102)13-6-35)99-81(117)61(93-4)34-7-14-43(15-8-34)128-87-75(114)72(111)69(108)33(3)126-87/h5-20,22-25,28,31-33,47-49,56-59,61-77,79,87-89,93,100-115H,21,26-27,29-30,91-92H2,1-4H3,(H,94,118)(H,95,121)(H,96,120)(H,97,119)(H,98,116)(H,99,117)(H,122,123)

smiles:
O=C(O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C(NC(=O)C(NC(=O)C(NC)C4=CC=C(OC5OC(C)C(O)C(O)C5O)C=C4)C(OC6OC(CO)C(O)C(O)C6O)C7=CC=C(OC=8C=C3C=C(OC=9C=C(OC%10OC(C)C(O)C(N)C%10)C(=CC9Cl)C2)C8OC%11OC(CO)C(O)C(O)C%11OC%12OC(C)C(O)C(N)C%12)C=C7)C%13=CC=C(O)C=C%13)C=%14C=CC(O)=C(C%14)C%15=C(O)C=C(O)C=C%151


name: Cilostazol
cas: 73963-72-1
chebiid: CHEBI:31401
chemspiderid: 2652
dtxsid: DTXSID9045132
formula: C20H27N5O2
inchikey: RRGUKTPIGVIEKM-UHFFFAOYSA-N
norman_susdat_id: NS00009762
pubchem_cid: 2754
smiles: O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
inchi:
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)


name: 3-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridyl)butyl]-1H-indole monohydrochloride
cas: 73966-59-3
dtxsid: DTXSID90995193
formula: C23H26N2
inchikey: OIGIUJXJIKZROX-UHFFFAOYSA-N
norman_susdat_id: NS00060265
pubchem_cid: 21120704
smiles: Cl.C=1C=CC(=CC1)C2=CCN(CC2)CCCCC3=CNC=4C=CC=CC43
inchi:
InChI=1/C23H26N2.ClH/c1-2-8-19(9-3-1)20-13-16-25(17-14-20)15-7-6-10-21-18-24-23-12-5-4-11-22(21)23;/h1-5,8-9,11-13,18,24H,6-7,10,14-17H2;1H


name: O-Desmethyltramadol
cas: 73986-53-5
chemspiderid: 115703
dtxsid: DTXSID40894102
formula: C15H23N1O2
inchikey: UWJUQVWARXYRCG-UHFFFAOYSA-N
norman_susdat_id: NS00010435
pubchem_cid: 130829
smiles: OC2(c1cc(O)ccc1)CCCCC2CN(C)C
inchi:
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3


name: Triethoxyoctadecylsilane
cas: 7399-00-0
dtxsid: DTXSID90224778
formula: C24H52O3Si
inchikey: FZMJEGJVKFTGMU-UHFFFAOYSA-N
norman_susdat_id: NS00047111
pubchem_cid: 81885
smiles: O(CC)[Si](OCC)(OCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H52O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(25-6-2,26-7-3)27-8-4/h5-24H2,1-4H3


name: (S)-2-amino-N-(2-naphthyl)-3-phenylpropionamide
cas: 740-57-8
chebiid: CHEBI:90599
dtxsid: DTXSID90995279
formula: C19H18N2O
inchikey: QUOLUWPVABJBKU-SFHVURJKSA-N
norman_susdat_id: NS00043020
pubchem_cid: 102477
smiles: O=C(NC=1C=CC=2C=CC=CC2C1)C(N)CC=3C=CC=CC3
inchi:
InChI=1/C19H18N2O/c20-18(12-14-6-2-1-3-7-14)19(22)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-11,13,18H,12,20H2,(H,21,22)


name: Trisodium 7-hydroxy-8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1,3-disulphonate
cas: 7401-69-6
formula: C22H16N4O10S3
inchikey: YWTJBEGMPYZQNB-UHFFFAOYSA-K
norman_susdat_id: NS00047156
pubchem_cid: 414931
inchi:
InChI=1/C22H16N4O10S3.3Na/c27-19-10-1-13-11-18(38(31,32)33)12-20(39(34,35)36)21(13)22(19)26-25-15-4-2-14(3-5-15)23-24-16-6-8-17(9-7-16)37(28,29)30;;;/h1-12,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=CC=C4C=C(C=C(C43)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C2)C=C1


name: Enoxacin
cas: 74011-58-8
chebiid: CHEBI:157175
chemspiderid: 3116
dtxsid: DTXSID5022984
formula: C15H17F1N4O3
inchikey: IDYZIJYBMGIQMJ-UHFFFAOYSA-N
norman_susdat_id: NS00000506
pubchem_cid: 3229
smiles: Fc1c(nc2c(c1)C(=O)C(C(=O)O)=C/N2CC)N3CCNCC3
inchi:
InChI=1S/C15H17FN4O3/c1-2-19-8-10(15(22)23)12(21)9-7-11(16)14(18-13(9)19)20-5-3-17-4-6-20/h7-8,17H,2-6H2,1H3,(H,22,23)


name: Propionylleucomycin
cas: 74014-51-0
chebiid: CHEBI:32103
chemspiderid: 4445397
dtxsid: DTXSID6023521
formula: C42H69N1O15
inchikey: VYWWNRMSAPEJLS-MDWYKHENSA-N
norman_susdat_id: NS00011664
pubchem_cid: 5282211
inchi:
InChI=1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

smiles:
CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)OC(=O)CC)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H]([C@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)O)C)O)C)CC=O)C)C


name: 2-chloro-1-methylpyridinium toluene-p-sulphonate
cas: 7403-46-5
formula: C7H7O3S.C6H7ClN
inchikey: KWNGIKVZXFFZNN-UHFFFAOYSA-M
norman_susdat_id: NS00082819
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2Cl
inchi:
InChI=1/C7H8O3S.C6H7ClN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1


name: m-fluoro-2'-(m-fluorobenzoyl)benzohydrazide
cas: 74038-74-7
dtxsid: DTXSID50224895
formula: C14H10F2N2O2
inchikey: DJCSGSALPRONGK-UHFFFAOYSA-N
norman_susdat_id: NS00060306
pubchem_cid: 96751
smiles: O=C(NNC(=O)C=1C=CC=C(F)C1)C=2C=CC=C(F)C2
inchi:
InChI=1/C14H10F2N2O2/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: a-[2-(dimethylamino)-1-methylethyl]benzhydryl alcohol hydrochloride
cas: 7405-15-4
formula: C18H23NO
inchikey: YWAGQZNXGUHOSX-UHFFFAOYSA-N
norman_susdat_id: NS00047179
pubchem_cid: 110988
smiles: Cl.OC(C=1C=CC=CC1)(C=2C=CC=CC2)C(C)CN(C)C
inchi:
InChI=1/C18H23NO.ClH/c1-15(14-19(2)3)18(20,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,15,20H,14H2,1-3H3;1H


name: Hydrocortisone aceponate
cas: 74050-20-7
chebiid: CHEBI:135746
chemspiderid: 62148
formula: C26H36O7
inchikey: MFBMYAOAMQLLPK-FZNHGJLXSA-N
norman_susdat_id: NS00015431
pubchem_cid: 68921
smiles: CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)C
inchi:
InChI=1S/C26H36O7/c1-5-22(31)33-26(21(30)14-32-15(2)27)11-9-19-18-7-6-16-12-17(28)8-10-24(16,3)23(18)20(29)13-25(19,26)4/h12,18-20,23,29H,5-11,13-14H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1


name: Haloperidol decanoate
cas: 74050-97-8
chebiid: CHEBI:31664
chemspiderid: 47814
dtxsid: DTXSID50224951
formula: C31H41Cl1F1N1O3
inchikey: GUTXTARXLVFHDK-UHFFFAOYSA-N
norman_susdat_id: NS00020705
pubchem_cid: 52919
smiles: CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
inchi:
InChI=1S/C31H41ClFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3


name: Ketanserin
cas: 74050-98-9
chebiid: CHEBI:6123
chemspiderid: 3690
dtxsid: DTXSID3023188
formula: C22H22F1N3O3
inchikey: FPCCSQOGAWCVBH-UHFFFAOYSA-N
norman_susdat_id: NS00001319
pubchem_cid: 3822
smiles: Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
inchi:
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)


name: Sethoxydim
cas: 74051-80-2
dtxsid: DTXSID9024304
formula: C17H29NO3S
inchikey: CSPPKDPQLUUTND-UHFFFAOYSA-N
norman_susdat_id: NS00060331
pubchem_cid: 135503327
smiles: O=C1C(=C(O)CC(C1)CC(SCC)C)C(=NOCC)CCC
inchi:
InChI=1/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3


name: Tetradecanamide, N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-
cas: 74051-83-5
chemspiderid: 151256
dtxsid: DTXSID9072781
formula: C22H49N5O1
inchikey: XEBAOWPFXXTTNB-UHFFFAOYSA-N
norman_susdat_id: NS00037590
pubchem_cid: 173238
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN
inchi:
InChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23/h24-26H,2-21,23H2,1H3,(H,27,28)


name: 2-[4-(1,2-diphenylvinyl)phenoxy]ethyl(diethyl)ammonium chloride
cas: 74056-26-1
formula: C26H29NO
inchikey: VPQKHXADDASFHZ-AURQPEIRSA-N
norman_susdat_id: NS00061385
pubchem_cid: 192969
smiles: [Cl-].O(C1=CC=C(C=C1)C(=CC=2C=CC=CC2)C=3C=CC=CC3)CC[NH+](CC)CC
inchi:
InChI=1/C26H29NO.ClH/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22;/h5-18,21H,3-4,19-20H2,1-2H3;1H


name: Phenyl(tridecafluorohexyl)iodanium tetrafluoridoborate(1-)
cas: 74061-32-8
dtxsid: DTXSID20895576
formula: C12H5BF17I
inchikey: YBLQRBSRKLDXKR-UHFFFAOYSA-N
norman_susdat_id: NS00109694
smiles: F[B-](F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[I+]c1ccccc1
inchi:
InChI=1S/C12H5F13I.BF4/c13-7(14,9(17,18)11(21,22)23)8(15,16)10(19,20)12(24,25)26-6-4-2-1-3-5-6;2-1(3,4)5/h1-5H;/q+1;-1


name: Dibenzyldimethylammonium methyl sulphate
cas: 74070-70-5
formula: C16H20N.CH3O4S
inchikey: BLHUAXIDWCQEPL-UHFFFAOYSA-M
norman_susdat_id: NS00090247
smiles: COS(=O)(=O)[O-].C[N+](C)(Cc1ccccc1)Cc2ccccc2
inchi:
InChI=1/C16H20N.CH4O4S/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16;1-5-6(2,3)4/h3-12H,13-14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2,2'-oxydisuccinic acid
cas: 7408-18-6
dtxsid: DTXSID00884382
formula: C8H10O9
inchikey: CFPOJWPDQWJEMO-UHFFFAOYSA-N
norman_susdat_id: NS00047180
pubchem_cid: 23887
smiles: O=C(O)CC(OC(C(=O)O)CC(=O)O)C(=O)O
inchi:
InChI=1/C8H10O9/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)


name: Iminodisuccinic acid
cas: 7408-20-0
chemspiderid: 116149
dtxsid: DTXSID80657657
formula: C8H11NO8
inchikey: PQHYOGIRXOKOEJ-UHFFFAOYSA-N
norman_susdat_id: NS00095776
pubchem_cid: 131409
smiles: C(C(C(=O)O)NC(CC(=O)O)C(=O)O)C(=O)O
inchi:
InChI=1S/C8H11NO8/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)


name: 3-phenyl-N-[3-phenyl-N-[(phenylmethoxy)carbonyl]-D-alanyl]-L-alanine
cas: 74086-66-1
formula: C26H26N2O5
inchikey: JNRHNGGTJOBXHL-PKTZIBPZSA-N
norman_susdat_id: NS00089950
smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc3ccccc3
inchi:
InChI=1/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)


name: Naluzotan
cas: 740873-82-9
dtxsid: DTXSID40995527
formula: C23H38N4O3S
inchikey: SPWZXWDPAWDKQE-UHFFFAOYSA-N
norman_susdat_id: NS00069673
smiles: CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1
inchi:
InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)


name: Bensulide
cas: 741-58-2
chebiid: CHEBI:81899
chemspiderid: 12397
dtxsid: DTXSID9032329
formula: C14H24N1O4P1S3
inchikey: RRNIZKPFKNDSRS-UHFFFAOYSA-N
norman_susdat_id: NS00000094
pubchem_cid: 12932
smiles: CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1
inchi:
InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3


name: Ketorolac
cas: 74103-06-3
chebiid: CHEBI:76223
chemspiderid: 3694
dtxsid: DTXSID8023189
formula: C15H13N1O3
inchikey: OZWKMVRBQXNZKK-UHFFFAOYSA-N
norman_susdat_id: NS00009482
pubchem_cid: 3826
smiles: OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1
inchi:
InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)


name: N-Deacetyl-N-formylcolchicine
cas: 7411-12-3
chebiid: CHEBI:138826
chemspiderid: 22335
dtxsid: DTXSID80225057
formula: C21H23NO6
inchikey: HDSXDWASQCHADG-HNNXBMFYSA-N
norman_susdat_id: NS00094808
pubchem_cid: 23890
smiles: COC1=C(OC)C(OC)=C2C(CC[C@H](NC=O)C3=CC(=O)C(OC)=CC=C23)=C1
inchi:
InChI=1S/C21H23NO6/c1-25-17-8-6-13-14(10-16(17)24)15(22-11-23)7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1


name: P-amino-amphenicol
cas: 7411-64-5
chebiid: CHEBI:47325
dtxsid: DTXSID30274439
formula: C11H14Cl2N2O3
inchikey: BFLNGKUCFYKCFZ-RKDXNWHRSA-N
norman_susdat_id: NS00069029
pubchem_cid: 445896
smiles: Nc1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
inchi:
InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1


name: 2,2-Dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
cas: 7411-65-6
chemspiderid: 17340063
dtxsid: DTXSID70583572
formula: C11H12Cl2N2O5
inchikey: FTMJFHVKAXPFIY-UHFFFAOYSA-N
norman_susdat_id: NS00040627
pubchem_cid: 16212183
smiles: OCC(NC(=O)C(Cl)Cl)C(O)c1cccc(c1)[N+]([O-])=O
inchi:
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-2-1-3-7(4-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)


name: 2-[(2-cyanoethyl)[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-1-methylethyl acetate
cas: 74110-29-5
dtxsid: DTXSID70888433
formula: C20H20Cl2N5O4
inchikey: VBCYEBODOBFAPI-UHFFFAOYSA-N
norman_susdat_id: NS00059479
pubchem_cid: 173247
smiles: N#CCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C=C1)CC(OC(=O)C)C
inchi:
InChI=1/C20H19Cl2N5O4/c1-13(31-14(2)28)12-26(9-3-8-23)16-6-4-15(5-7-16)24-25-20-18(21)10-17(27(29)30)11-19(20)22/h4-7,10-11,13H,3,9,12H2,1-2H3


name: 2-hexadecyl-3-hydroxyicosanoic acid
cas: 74124-36-0
dtxsid: DTXSID70995570
formula: C36H72O3
inchikey: KUBWXAZCUFSNLT-UHFFFAOYSA-N
norman_susdat_id: NS00059444
pubchem_cid: 3018474
smiles: O=C(O)C(CCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)34(36(38)39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,37H,3-33H2,1-2H3,(H,38,39)


name: Disodium N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamate
cas: 7413-34-5
chebiid: CHEBI:50679
formula: C20H22N8O5.2Na
inchikey: DASQOOZCTWOQPA-GXKRWWSZSA-L
norman_susdat_id: NS00082009
smiles: [Na+].[Na+].CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C20H22N8O5.2Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);;/q;2*+1/p-2


name: Tributylstannyl p-hydroxybenzoate
cas: 7414-81-5
dtxsid: DTXSID30225108
formula: C19H32O3Sn
inchikey: CINMZTUXCWJRJI-UHFFFAOYSA-M
norman_susdat_id: NS00047181
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C1=CC=C(O)C=C1
inchi:
InChI=1/C7H6O3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H32O3Sn/c1-4-7-14-23(15-8-5-2,16-9-6-3)22-19(21)17-10-12-18(20)13-11-17/h10-13,20H,4-9,14-16H2,1-3H3


name: Bisdethiobis(methylthio)gliotoxin
cas: 74149-38-5
dtxsid: DTXSID70995590
formula: C15H20N2O4S2
inchikey: OVBAGMZLGLXSBN-UOVKNHIHSA-N
norman_susdat_id: NS00097472
smiles: CN1C(=O)[C@@]2(CC3=CC=C[C@@H]([C@H]3N2C(=O)[C@@]1(CO)SC)O)SC
inchi:
InChI=1S/C15H20N2O4S2/c1-16-12(20)14(22-2)7-9-5-4-6-10(19)11(9)17(14)13(21)15(16,8-18)23-3/h4-6,10-11,18-19H,7-8H2,1-3H3/t10-,11-,14+,15+/m0/s1


name: Methyl 4-[4-(4-methoxybenzamido)-3-nitrophenyl]-3-methyl-4-oxobutanoate
cas: 74149-72-7
chemspiderid: 21473408
dtxsid: DTXSID10551210
formula: C20H20N2O7
inchikey: BVRUHPOPLACNJO-UHFFFAOYSA-N
norman_susdat_id: NS00009816
pubchem_cid: 13850879
smiles: COC(=O)CC(C)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c(c1)[N+]([O-])=O
inchi:
InChI=1S/C20H20N2O7/c1-12(10-18(23)29-3)19(24)14-6-9-16(17(11-14)22(26)27)21-20(25)13-4-7-15(28-2)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,25)


name: N-[2-Nitro-4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-4-methoxy-benzamide
cas: 74149-73-8
chemspiderid: 15122635
formula: C19H18N4O5
inchikey: SRGQMHSWJMITIK-UHFFFAOYSA-N
norman_susdat_id: NS00004746
pubchem_cid: 13850880
smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1[N+]([O-])=O)C1=NNC(=O)CC1C
inchi:
InChI=1S/C19H18N4O5/c1-11-9-17(24)21-22-18(11)13-5-8-15(16(10-13)23(26)27)20-19(25)12-3-6-14(28-2)7-4-12/h3-8,10-11H,9H2,1-2H3,(H,20,25)(H,21,24)


name: N-[2-Amino-4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-4-methoxy-benzamide
cas: 74149-74-9
chemspiderid: 14798306
formula: C19H20N4O3
inchikey: WJMJXFIZZSXKST-UHFFFAOYSA-N
norman_susdat_id: NS00002407
pubchem_cid: 13850881
smiles: COc1ccc(cc1)C(=O)Nc1ccc(cc1N)C1=NNC(=O)CC1C
inchi:
InChI=1S/C19H20N4O3/c1-11-9-17(24)22-23-18(11)13-5-8-16(15(20)10-13)21-19(25)12-3-6-14(26-2)7-4-12/h3-8,10-11H,9,20H2,1-2H3,(H,21,25)(H,22,24)


name: Guanosine 5'-(disodium hydrogen pyrophosphate)
cas: 7415-69-2
formula: C10H15N5O11P2.2Na
inchikey: LTZCGDIGAHOTKN-UHFFFAOYSA-L
norman_susdat_id: NS00082820
smiles: NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O)C(=O)N1
inchi:
InChI=1/C10H15N5O11P2.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/rC10H13N5Na2O11P2/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(19)5(18)3(25-9)1-24-30(23,27-17)28-29(21,22)26-16/h2-3,5-6,9,18-19H,1H2,(H,21,22)(H3,11,13,14,20)


name: Molindone
cas: 7416-34-4
chebiid: CHEBI:6965
chemspiderid: 22342
dtxsid: DTXSID9023332
formula: C16H24N2O2
inchikey: KLPWJLBORRMFGK-UHFFFAOYSA-N
norman_susdat_id: NS00010544
pubchem_cid: 23897
smiles: CCC1=C(NC2=C1C(=O)C(CC2)CN3CCOCC3)C
inchi:
InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3


name: Bis(2-hydroxyethyl)methyl(octadecyl)ammonium methyl sulphate
cas: 74160-02-4
dtxsid: DTXSID60995600
formula: C23H49NO2
inchikey: OSBGMRLNKRTYTC-UHFFFAOYSA-N
norman_susdat_id: NS00059466
pubchem_cid: 3018477
smiles: O=S(=O)([O-])OC.OCCC(CCO)[NH2+]CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H49NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;1-5-6(2,3)4/h23-26H,2-22H2,1H3;1H3,(H,2,3,4)


cas: 74162-83-7
dtxsid: DTXSID90225124
formula: C56H110O6S3Sn
inchikey: RMIMQTAMIKTZCC-UHFFFAOYSA-K
norman_susdat_id: NS00060479
pubchem_cid: 44148294
smiles: O=C(OCCCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)CCCCCCCC
name:
Tetradecyl 4-octyl-7-oxo-4-[[2-oxo-2-(tetradecyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannadocosanoate

inchi:
InChI=1/3C16H32O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC56H110O6S3Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-47-60-54(57)51-63-66(50-46-42-20-16-12-8-4,64-52-55(58)61-48-44-40-37-34-31-28-25-22-18-14-10-6-2)65-53-56(59)62-49-45-41-38-35-32-29-26-23-19-15-11-7-3/h5-53H2,1-4H3


name: 1-Aziridinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
cas: 7417-99-4
chemspiderid: 73920
dtxsid: DTXSID1064665
formula: C19H20N4O2
inchikey: XECQDYXJWMHGBI-UHFFFAOYSA-N
norman_susdat_id: NS00019684
pubchem_cid: 81913
smiles: O=C(Nc1ccc(Cc2ccc(NC(=O)N3CC3)cc2)cc1)N1CC1
inchi:
InChI=1S/C19H20N4O2/c24-18(22-9-10-22)20-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)21-19(25)23-11-12-23/h1-8H,9-13H2,(H,20,24)(H,21,25)


name: RO-4584820
cas: 741713-40-6
dtxsid: DTXSID30225143
formula: C18H21F2N5O4S
inchikey: JRNJNYBQQYBCLE-UHFFFAOYSA-N
norman_susdat_id: NS00071034
pubchem_cid: 6918852
smiles: COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)nc1N
inchi:
InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)


name: 3-[(4-amino-5-methoxy-o-tolyl)azo]-4-methoxybenzenesulphonic acid
cas: 74173-53-8
formula: C15H17N3O5S
inchikey: BBFLXBAKDDPDIF-UHFFFAOYSA-N
norman_susdat_id: NS00059467
pubchem_cid: 3018479
smiles: O=S(=O)(O)C1=CC=C(OC)C(N=NC=2C=C(OC)C(N)=CC2C)=C1
inchi:
InChI=1/C15H17N3O5S/c1-9-6-11(16)15(23-3)8-12(9)17-18-13-7-10(24(19,20)21)4-5-14(13)22-2/h4-8H,16H2,1-3H3,(H,19,20,21)


name: Ammonium 1-carboxylatoethyl stearate
cas: 74173-78-7
formula: C21H40O4.H3N
inchikey: MHGUZECDIRJQKU-UHFFFAOYSA-N
norman_susdat_id: NS00089824
smiles: [NH4+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H40O4.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);1H3


name: Alfaprostol
cas: 74176-31-1
formula: C24H38O5
inchikey: OZDSQCVLNUIYLN-BVAFDOMYSA-N
norman_susdat_id: NS00059468
pubchem_cid: NA
smiles: O=C(OC)CCCC=CCC1C(O)CC(O)C1C#CC(O)CCC2CCCCC2
inchi:
InChI=1/C24H38O5/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)16-15-19(25)14-13-18-9-5-4-6-10-18/h2,7,18-23,25-27H,3-6,8-14,17H2,1H3


name: 1-Methyl-4-piperidinyl 2-((7-(trifluoromethyl)quinolin-4-yl)amino)benzoate
cas: 74180-15-7
chemspiderid: 15221623
dtxsid: DTXSID20225157
formula: C23H22F3N3O2
inchikey: PXEUZERMDKZBIA-UHFFFAOYSA-N
norman_susdat_id: NS00037597
pubchem_cid: 16205305
smiles: CN1CCC(CC1)OC(=O)c1c(Nc2ccnc3cc(ccc23)C(F)(F)F)cccc1
inchi:
InChI=1S/C23H22F3N3O2/c1-29-12-9-16(10-13-29)31-22(30)18-4-2-3-5-19(18)28-20-8-11-27-21-14-15(23(24,25)26)6-7-17(20)21/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,27,28)


name: 4-[(4-chloro-2-methylphenyl)azo]-N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 74186-12-2
dtxsid: DTXSID9072785
formula: C26H22ClN3O2
inchikey: ORHMPQAJPKHWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00059481
pubchem_cid: 173255
smiles: O=C(NC=1C=CC=CC1CC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C26H22ClN3O2/c1-3-17-8-5-7-11-23(17)28-26(32)21-15-18-9-4-6-10-20(18)24(25(21)31)30-29-22-13-12-19(27)14-16(22)2/h4-15,31H,3H2,1-2H3,(H,28,32)


name: 2-Naphthalenamine, 1-[[4-(phenylazo)phenyl]azo]-N-propyl-
cas: 74186-15-5
chemspiderid: 151271
dtxsid: DTXSID4072788
formula: C25H23N5
inchikey: XFXKYJLMUDUXNS-UHFFFAOYSA-N
norman_susdat_id: NS00037600
pubchem_cid: 173256
smiles: CCCNc1ccc2ccccc2c1N=Nc1ccc(cc1)N=Nc1ccccc1
inchi:
InChI=1S/C25H23N5/c1-2-18-26-24-17-12-19-8-6-7-11-23(19)25(24)30-29-22-15-13-21(14-16-22)28-27-20-9-4-3-5-10-20/h3-17,26H,2,18H2,1H3/b28-27+,30-29+


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium hydrogen sulphate
cas: 74186-16-6
formula: C19H23N4O2S.HO4S
inchikey: BFCKQDHEJXTQTK-UHFFFAOYSA-M
norman_susdat_id: NS00089828
smiles: [H+].[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C19H23N4O2S.H2O4S.H2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4;/h5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 74186-17-7
dtxsid: DTXSID20890344
formula: C23H22N5O12S2
inchikey: PGODFFBQDSMUKZ-UHFFFAOYSA-K
norman_susdat_id: NS00060499
pubchem_cid: NA
name:
Trisodium 5-[[5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]-2-(3-sulphonatopropoxy)phenyl]azo]salicylate

inchi:
InChI=1/C23H21N5O12S2.3Na/c1-13-9-19(27-24-14-3-6-20(29)16(10-14)23(30)31)21(40-7-2-8-41(34,35)36)12-18(13)26-25-17-5-4-15(28(32)33)11-22(17)42(37,38)39;;;/h3-6,9-12,29H,2,7-8H2,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C=C2OCCCS(=O)(=O)[O-])C)=CC=C1O


cas: 74186-18-8
dtxsid: DTXSID80890345
formula: C33H22Cl4N8O8S2
inchikey: KKZFYAXJSKXATG-UHFFFAOYSA-L
norman_susdat_id: NS00059526
pubchem_cid: 166438
name:
Disodium 4-[[3-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoyl]amino]-4'-[(2,5,6-trichloropyrimidin-4-yl)amino][1,1'-biphenyl]-3-sulphonate

inchi:
InChI=1/C33H22Cl4N8O8S2.2Na/c1-16-28(32(47)45(44-16)25-15-22(54(48,49)50)10-11-23(25)34)43-42-21-4-2-3-19(13-21)31(46)39-24-12-7-18(14-26(24)55(51,52)53)17-5-8-20(9-6-17)38-30-27(35)29(36)40-33(37)41-30;;/h2-15,28H,1H3,(H,39,46)(H,38,40,41)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=C1S(=O)(=O)[O-])C=2C=CC(=CC2)NC=3N=C(Cl)N=C(Cl)C3Cl)C=4C=CC=C(N=NC5C(=O)N(N=C5C)C6=CC(=CC=C6Cl)S(=O)(=O)[O-])C4


name: Doxazosin
cas: 74191-85-8
chebiid: CHEBI:4708
chemspiderid: 3045
dtxsid: DTXSID7022964
formula: C23H25N5O5
inchikey: RUZYUOTYCVRMRZ-UHFFFAOYSA-N
norman_susdat_id: NS00000605
pubchem_cid: 3157
smiles: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC
inchi:
InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)


name: Cyclopenthiazide
cas: 742-20-1
chebiid: CHEBI:91686
chemspiderid: 2801
dtxsid: DTXSID4022868
formula: C13H18Cl1N3O4S2
inchikey: BKYKPTRYDKTTJY-UHFFFAOYSA-N
norman_susdat_id: NS00006210
pubchem_cid: 2904
smiles: NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl
inchi:
InChI=1S/C13H18ClN3O4S2/c14-9-6-10-12(7-11(9)22(15,18)19)23(20,21)17-13(16-10)5-8-3-1-2-4-8/h6-8,13,16-17H,1-5H2,(H2,15,18,19)


name: 7-Acetyl-9-echimidinylretronecine
cas: 74202-10-1
chebiid: CHEBI:9881
chemspiderid: 138020
dtxsid: DTXSID80225198
formula: C17H27NO7
inchikey: IHRIHUJNKKMIDN-YYGKBEQOSA-N
norman_susdat_id: NS00094809
pubchem_cid: 156778
smiles: C[C@H](O)[C@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
inchi:
InChI=1S/C17H27NO7/c1-10(19)17(23,16(3,4)22)15(21)24-9-12-5-7-18-8-6-13(14(12)18)25-11(2)20/h5,10,13-14,19,22-23H,6-9H2,1-4H3/t10-,13+,14+,17-/m0/s1


name: 4-(5-hydroxy-7-sulpho-2-naphthylamino)phenoxyacetic acid
cas: 74203-93-3
dtxsid: DTXSID80995682
formula: C18H15NO7S
inchikey: UOOVTNANMSPSAX-UHFFFAOYSA-N
norman_susdat_id: NS00059527
pubchem_cid: 3018482
smiles: O=C(O)COC1=CC=C(C=C1)NC=2C=CC3=C(O)C=C(C=C3C2)S(=O)(=O)O
inchi:
InChI=1/C18H15NO7S/c20-17-9-15(27(23,24)25)8-11-7-13(3-6-16(11)17)19-12-1-4-14(5-2-12)26-10-18(21)22/h1-9,19-20H,10H2,(H,21,22)(H,23,24,25)


name: Bis(benzylideneaminoguanidinium) tartrate
cas: 74203-94-4
dtxsid: DTXSID40995683
formula: C4H6O6
inchikey: KPMMIQWIYNBUOQ-UHFFFAOYSA-N
norman_susdat_id: NS00060531
pubchem_cid: 57353332
smiles: O=C([O-])C(O)C(O)C(=O)[O-].N=C(N)[NH2+]N=CC=1C=CC=CC1.N=C(N)[NH2+]N=CC=1C=CC=CC1
inchi:
InChI=1/2C8H10N4.C4H6O6/c2*9-8(10)12-11-6-7-4-2-1-3-5-7;5-1(3(7)8)2(6)4(9)10/h2*1-6H,(H4,9,10,12);1-2,5-6H,(H,7,8)(H,9,10)


name: Isavuconazonium
cas: 742049-41-8
dtxsid: DTXSID70225203
formula: C35H35F2N8O5S
inchikey: RSWOJTICKMKTER-GEJZGCERSA-N
norman_susdat_id: NS00071898
inchi:
InChI=1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23+,35+/m0/s1

smiles:
CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1


name: Carbenoxolone disodium
cas: 7421-40-1
formula: C34H50O7.2Na
inchikey: BQENDLAVTKRQMS-SBBGFIFASA-N
norman_susdat_id: NS00082830
inchi:
InChI=1/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1

smiles:
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)OC(=O)CCC(=O)O


name: Endrin aldehyde
cas: 7421-93-4
dtxsid: DTXSID0047743
inchikey: HCTWZIFNBBCVGM-YFQUMFGZSA-N
norman_susdat_id: NS00073878
inchi:
InChI=1/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2/t3-,4-,5+,6-,7-,8+,9+,10+,11-/s2

smiles:
[H][C@@]12[C@@]3([H])C[C@@H](C=O)[C@]4([H])[C@@]3([H])[C@@]3(Cl)[C@]1(Cl)[C@]2(Cl)[C@@]4(Cl)C3(Cl)Cl


name: Doronenine
cas: 74217-57-5
chemspiderid: 4944817
dtxsid: DTXSID40225210
formula: C18H25NO5
inchikey: VDHBZYVHRJQOLV-JHKFPADBSA-N
norman_susdat_id: NS00094706
pubchem_cid: 6440559
smiles: C[C@@H]1CC(C)=CC(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23
inchi:
InChI=1S/C18H25NO5/c1-11-8-12(2)18(3,22)17(21)23-10-13-4-6-19-7-5-14(16(13)19)24-15(20)9-11/h4,9,12,14,16,22H,5-8,10H2,1-3H3/b11-9+/t12-,14-,16-,18-/m1/s1


name: Cannabidiol
cas: 74219-29-7
chemspiderid: 24547
dtxsid: DTXSID10653182
formula: C21H30O2
inchikey: QHMBSVQNZZTUGM-ZENAZSQFSA-N
norman_susdat_id: NS00001622
pubchem_cid: 26346
smiles: CCCCCC1=CC(=C(C(=C1)O)[C@H]2C=C(CC[C@@H]2C(=C)C)C)O
inchi:
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18?/m0/s1


name: Calcium bis(9,10-dihydroxystearate)
cas: 74220-13-6
formula: C18H36O4.1/2Ca
inchikey: KYRPHMRHIPLASS-UHFFFAOYSA-L
norman_susdat_id: NS00089591
smiles: [Ca+2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O4.Ca/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);/q;;+2/p-2


name: 16a,17,21-trihydroxypregna-4,9(11)-diene-3,20-dione 21-acetate
cas: 74220-43-2
dtxsid: DTXSID70995696
formula: C23H30O6
inchikey: MHKSVJLDCGZOIC-ZPDKUKPCSA-N
norman_susdat_id: NS00060532
pubchem_cid: 44151292
smiles: O=C(OCC(=O)C1(O)C(O)CC2C3C(=CCC21C)C4(C(=CC(=O)CC4)CC3)C)C
inchi:
InChI=1/C23H30O6/c1-13(24)29-12-20(27)23(28)19(26)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h7,10,16,18-19,26,28H,4-6,8-9,11-12H2,1-3H3


name: p-[[(4-chlorobutyl)sulphonyl]amino]benzenesulphonamide
cas: 74220-53-4
dtxsid: DTXSID90995698
formula: C10H15ClN2O4S2
inchikey: JAWCYQCOPVFEDM-UHFFFAOYSA-N
norman_susdat_id: NS00059495
pubchem_cid: 3018484
smiles: O=S(=O)(N)C1=CC=C(C=C1)NS(=O)(=O)CCCCCl
inchi:
InChI=1/C10H15ClN2O4S2/c11-7-1-2-8-18(14,15)13-9-3-5-10(6-4-9)19(12,16)17/h3-6,13H,1-2,7-8H2,(H2,12,16,17)


name: Sulfometuron-methyl
cas: 74222-97-2
chebiid: CHEBI:9348
chemspiderid: 47881
dtxsid: DTXSID0034936
formula: C15H16N4O5S1
inchikey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
norman_susdat_id: NS00004895
pubchem_cid: 52997
smiles: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
inchi:
InChI=1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)


name: Metsulfuron-methyl
cas: 74223-64-6
chebiid: CHEBI:39678
chemspiderid: 47883
dtxsid: DTXSID6023864
formula: C14H15N5O6S1
inchikey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
norman_susdat_id: NS00010090
pubchem_cid: 52999
smiles: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
eea_notation: CAS_74223-64-6
inchi:
InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)


name: N,N-dihexyl-m-toluidine
cas: 74228-24-3
dtxsid: DTXSID60995701
formula: C19H33N
inchikey: VPGLWSMDJGQIMD-UHFFFAOYSA-N
norman_susdat_id: NS00060534
pubchem_cid: 3018485
smiles: C=1C=C(C=C(C1)C)N(CCCCCC)CCCCCC
inchi:
InChI=1/C19H33N/c1-4-6-8-10-15-20(16-11-9-7-5-2)19-14-12-13-18(3)17-19/h12-14,17H,4-11,15-16H2,1-3H3


cas: 74228-28-7
formula: C38H40N12O14S4
inchikey: VLVCOOUSPUZDPA-PLJHVDPMSA-J
norman_susdat_id: NS00060535
pubchem_cid: NA
name:
Tetrasodium 4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C38H40N12O14S4.4Na/c1-49(17-19-51)37-45-33(39-25-9-13-29(14-10-25)65(53,54)55)43-35(47-37)41-27-7-5-23(31(21-27)67(59,60)61)3-4-24-6-8-28(22-32(24)68(62,63)64)42-36-44-34(46-38(48-36)50(2)18-20-52)40-26-11-15-30(16-12-26)66(56,57)58;;;;/h3-16,21-22,51-52H,17-20H2,1-2H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,39,41,43,45,47)(H2,40,42,44,46,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC=2N=C(N=C(N2)N(C)CCO)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC5=NC(=NC(=N5)N(C)CCO)NC6=CC=C(C=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 7423-31-6
chebiid: CHEBI:52273
dtxsid: DTXSID80884385
formula: C30H27N2S2
inchikey: MPBRYMWMMKKRGC-UHFFFAOYSA-M
norman_susdat_id: NS00047183
pubchem_cid: NA
smiles: [Br-].S1C=2C=CC=3C=CC=CC3C2N(C1=CC(=CC=4SC5=CC=C6C=CC=CC6=C5[N+]4CC)C)CC
name:
1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]naphtho[1,2-d]thiazolium bromide

inchi:
InChI=1/C30H27N2S2.BrH/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;/h6-19H,4-5H2,1-3H3;1H/q+1;/p-1


name: 2-ethylhexyl hydrogen maleate
cas: 7423-42-9
chemspiderid: 4517151
formula: C12H20O4
inchikey: IQBLWPLYPNOTJC-FPLPWBNLSA-N
norman_susdat_id: NS00019446
pubchem_cid: 5365056
smiles: CCCCC(CC)COC(=O)/C=CC(=O)O
inchi:
InChI=1S/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-/t10-/m0/s1


name: (S)-a-amino-N-2-naphthyl-1H-imidazole-4-propionamide
cas: 7424-15-9
dtxsid: DTXSID90995719
formula: C16H16N4O
inchikey: DKDILZBBFKZMRO-UHFFFAOYSA-N
norman_susdat_id: NS00047841
pubchem_cid: 110993
smiles: O=C(NC=1C=CC=2C=CC=CC2C1)C(N)CC=3N=CNC3
inchi:
InChI=1/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)


name: Hexadecyl(2-hydroxy-3-sulphonatopropyl)dimethylammonium
cas: 7425-12-9
formula: C21H46NO4S
inchikey: OSPOJLWAJPWJTO-UHFFFAOYSA-N
norman_susdat_id: NS00047232
pubchem_cid: 110994
smiles: O=S(=O)([O-])CC(O)C[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,3)19-21(23)20-27(24,25)26/h21,23H,4-20H2,1-3H3


name: CHEBI:79724
cas: 7425-79-8
chebiid: CHEBI:79724
chemspiderid: 10128416
dtxsid: DTXSID30474634
formula: C19H24O2
inchikey: MLDIQALUMKMHCC-UHFFFAOYSA-N
norman_susdat_id: NS00001623
pubchem_cid: 11954121
smiles: CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C19H24O2/c1-3-13-19(14-4-2,15-5-9-17(20)10-6-15)16-7-11-18(21)12-8-16/h5-12,20-21H,3-4,13-14H2,1-2H3


name: Indomethacin sodium [USAN:USP]
cas: 74252-25-8
dtxsid: DTXSID00225256
formula: C19H21ClNNaO7
inchikey: UHYAQBLOGVNWNT-UHFFFAOYSA-M
norman_susdat_id: NS00076144
smiles: O.O.O.[Na+].COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC([O-])=O
inchi:
InChI=1S/C19H16ClNO4.Na.3H2O/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;;;;/h3-9H,10H2,1-2H3,(H,22,23);;3*1H2/q;+1;;;/p-1


name: (Perfluoro-9-methyldecyl)ethyl methacrylate
cas: 74256-14-7
chemspiderid: 2056527
dtxsid: DTXSID80880968
formula: C17H9F23O2
inchikey: PVMWMBHAEVDBQR-UHFFFAOYSA-N
norman_susdat_id: NS00010996
pubchem_cid: 2776206
smiles: C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(C(C)=C)=O
inchi:
InChI=1S/C17H9F23O2/c1-5(2)6(41)42-4-3-7(18,19)9(21,22)11(25,26)13(29,30)15(33,34)14(31,32)12(27,28)10(23,24)8(20,16(35,36)37)17(38,39)40/h1,3-4H2,2H3


name: (Perfluoro-11-methyldodecyl)ethyl methacrylate
cas: 74256-15-8
chemspiderid: 17333524
dtxsid: DTXSID40880969
formula: C19H9F27O2
inchikey: NZSKSDOUVOVFHC-UHFFFAOYSA-N
norman_susdat_id: NS00011000
pubchem_cid: 16205307
inchi:
InChI=1S/C19H9F27O2/c1-5(2)6(47)48-4-3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h1,3-4H2,2H3

smiles:
C(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)(C(F)(F)F)C(F)(F)F)COC(=O)C(C)=C


name: Calcium L-cystinate
cas: 74263-37-9
formula: C6H12N2O4S2.xCa
inchikey: ZGOFPSNBXMTNNO-MMALYQPHSA-L
norman_susdat_id: NS00089601
smiles: [Ca+2].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H12N2O4S2.Ca/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);/q;+2/p-2


name: SSR504734
cas: 742693-38-5
chemspiderid: 8130150
dtxsid: DTXSID3047348
formula: C20H20Cl1F3N2O1
inchikey: MEZRZVWPLXVLSO-UHFFFAOYSA-N
norman_susdat_id: NS00015604
pubchem_cid: 11998345
smiles: C1CCNC(C1)C(C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl
inchi:
InChI=1S/C20H20ClF3N2O/c21-17-14(9-6-10-15(17)20(22,23)24)19(27)26-18(13-7-2-1-3-8-13)16-11-4-5-12-25-16/h1-3,6-10,16,18,25H,4-5,11-12H2,(H,26,27)


name: Octyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
cas: 7427-68-1
formula: C28H48O2
inchikey: SNBGYRRBRAGXNX-FORXSXPXSA-N
norman_susdat_id: NS00047234
pubchem_cid: 6437641
smiles: O=C(OCCCCCCCC)CCCC=CCC=CCC=CCC=CCCCCC
inchi:
InChI=1/C28H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(29)30-27-25-23-10-8-6-4-2/h11-12,14-15,17-18,20-21H,3-10,13,16,19,22-27H2,1-2H3


cas: 74276-38-3
dtxsid: DTXSID10995796
formula: C37H28N4O10S2
inchikey: ORIVCUYFVCUEBW-UHFFFAOYSA-N
norman_susdat_id: NS00059081
pubchem_cid: NA
name:
4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]-<U+03B3>-[4-[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]phenyl]-<U+03B3>-methylbenzenebutyric acid

inchi:
InChI=1/C37H26N4O10S2/c1-37(21-20-34(42)43,22-8-12-24(13-9-22)50-52(46,47)32-6-2-4-28-26(32)16-18-30(40-38)35(28)44)23-10-14-25(15-11-23)51-53(48,49)33-7-3-5-29-27(33)17-19-31(41-39)36(29)45/h2-19H,20-21H2,1H3,(H,42,43)

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(C=C3)C(C4=CC=C(OS(=O)(=O)C=5C=CC=C6C(=O)C(=[N+]=[N-])C=CC65)C=C4)(C)CCC(=O)O)C1=O


name: EINECS 277-800-3
cas: 74276-41-8
chemspiderid: 21162998
dtxsid: DTXSID30225289
formula: C41H35N4O11S2
inchikey: AZNVEXKTXPOVCB-UHFFFAOYSA-N
norman_susdat_id: NS00037606
pubchem_cid: 44149102
inchi:
InChI=1S/C41H34N4O11S2/c1-3-53-24-25-54-38(46)22-23-41(2,26-10-14-28(15-11-26)55-57(49,50)36-8-4-6-32-30(36)18-20-34(44-42)39(32)47)27-12-16-29(17-13-27)56-58(51,52)37-9-5-7-33-31(37)19-21-35(45-43)40(33)48/h4-21H,3,22-25H2,1-2H3/p+2

smiles:
CCOCCOC(=O)CCC(C)(c1ccc(OS(=O)(=O)c2cccc3c2ccc([N+]#N)c3[O-])cc1)c1ccc(OS(=O)(=O)c2cccc3c2ccc([N+]#N)c3[O-])cc1


name: Stearic acid, lead salt
cas: 7428-48-0
formula: C18H36O2.xPb
inchikey: ONUFRYFLRFLSOM-UHFFFAOYSA-N
norman_susdat_id: NS00082487
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H36O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H36O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);1H2/q;+4


name: 1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)vinyl]-1H-imidazolium nitrate
cas: 74287-36-8
formula: C19H16Cl3N2O2
inchikey: LLASCUYSTQDTOR-NNTHFVATSA-O
norman_susdat_id: NS00059542
pubchem_cid: NA
smiles: O=[N+]([O-])[O-].ClC1=CC=C(OCCOC(=C[N+]=2C=CNC2)C3=CC=C(Cl)C=C3Cl)C=C1
inchi:
InChI=1/C19H15Cl3N2O2.NO3/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22;2-1(3)4/h1-8,11-13H,9-10H2;/q;-1/p+1


name: ADC-13
cas: 74288-40-7
chemspiderid: 8330263
dtxsid: DTXSID10225303
formula: C16H16N2O7
inchikey: YBIDYTOJOXKBLO-USLOAXSXSA-N
norman_susdat_id: NS00037607
pubchem_cid: 11198839
smiles: C[C@@H](O)[C@@H]1[C@H]2CC(=O)C(N2C1=O)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3/t8-,11-,13-,14-/m1/s1


name: N-(N-glycylglycyl)-3-phenyl-DL-alanine
cas: 74292-78-7
chebiid: CHEBI:73905
dtxsid: DTXSID50995816
formula: C13H17N3O4
inchikey: KAJAOGBVWCYGHZ-JTQLQIEISA-N
norman_susdat_id: NS00060584
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)CNC(=O)CN)CC=1C=CC=CC1
inchi:
InChI=1/C13H17N3O4/c14-7-11(17)15-8-12(18)16-10(13(19)20)6-9-4-2-1-3-5-9/h1-5,10H,6-8,14H2,(H,15,17)(H,16,18)(H,19,20)


name: Benperidol hydrochloride
cas: 74298-73-0
formula: C22H24FN3O2.xClH
inchikey: IHYBCZWYTSHJHF-UHFFFAOYSA-N
norman_susdat_id: NS00089626
smiles: Cl.Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)N3C(=O)Nc4ccccc34
inchi:
InChI=1/C22H24FN3O2.ClH/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28;/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28);1H


name: 1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)-1-methylvinyl]-1H-imidazolium nitrate
cas: 74299-76-6
formula: C20H17Cl3N2O2.HNO3
inchikey: KEJVYRJGXDINQC-RANVTSCRSA-O
norman_susdat_id: NS00090358
smiles: C\C(=C(/OCCOc1ccc(Cl)cc1)\c2ccc(Cl)cc2Cl)\[n+]3cc[nH]c3.[O-][N+](=O)[O-]
inchi:
InChI=1/C20H17Cl3N2O2.NO3/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17;2-1(3)4/h2-9,12-13H,10-11H2,1H3;/q;-1/p+1


name: p-pentylphenyl p-pentylbenzoate
cas: 74305-48-9
dtxsid: DTXSID40995825
formula: C23H30O2
inchikey: VWDNHTVWLXZZEK-UHFFFAOYSA-N
norman_susdat_id: NS00059569
pubchem_cid: 3018495
smiles: O=C(OC1=CC=C(C=C1)CCCCC)C2=CC=C(C=C2)CCCCC
inchi:
InChI=1/C23H30O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3


name: Benzyloxycarbonyltryptophan
cas: 7432-21-5
chemspiderid: 91414
dtxsid: DTXSID00225332
formula: C19H18N2O4
inchikey: AHYFYYVVAXRMKB-KRWDZBQOSA-N
norman_susdat_id: NS00037612
pubchem_cid: 101176
smiles: [O-]C(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1
inchi:
InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1


name: N-L-<U+03B3>-glutamyl-L-tyrosine
cas: 7432-23-7
chebiid: CHEBI:82969
dtxsid: DTXSID00995841
formula: C14H18N2O6
inchikey: VVLXCWVSSLFQDS-QWRGUYRKSA-N
norman_susdat_id: NS00046054
pubchem_cid: 94340
smiles: O=C(O)C(N)CCC(=O)NC(C(=O)O)CC1=CC=C(O)C=C1
inchi:
InChI=1/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)


name: N-L-<U+03B3>-glutamyl-3-phenyl-L-alanine
cas: 7432-24-8
chebiid: CHEBI:89582
dtxsid: DTXSID60995842
formula: C14H18N2O5
inchikey: XHHOHZPNYFQJKL-QWRGUYRKSA-N
norman_susdat_id: NS00046055
pubchem_cid: 111299
smiles: O=C(O)C(N)CCC(=O)NC(C(=O)O)CC=1C=CC=CC1
inchi:
InChI=1/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)


name: Schizandrin
cas: 7432-28-2
formula: C24H32O7
inchikey: YEFOAORQXAOVJQ-RZFZLAGVSA-N
norman_susdat_id: NS00097345
smiles: C[C@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@]1(C)O)OC)OC)OC)OC)OC)OC
inchi:
InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1


name: Methyl (3a,5ß,7a,12a)-7-acetoxy-3,12-dihydroxycholan-24-oate
cas: 7432-44-2
dtxsid: DTXSID80995844
formula: C27H44O6
inchikey: MQMDKPZWEWBJGP-FZMDYVDPSA-N
norman_susdat_id: NS00047337
pubchem_cid: 99286
smiles: O=C(OC1CC2CC(O)CCC2(C)C3CC(O)C4(C)C(CCC4C13)C(C)CCC(=O)OC)C
inchi:
InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-23,25,29-30H,6-14H2,1-5H3


name: Sebacic acid, compound with piperazine (1:1)
cas: 7433-23-0
formula: C10H18O4.C4H10N2
inchikey: AABVNLKNIVLBCB-UHFFFAOYSA-N
norman_susdat_id: NS00082244
smiles: OC(=O)CCCCCCCCC(=O)O.C1CNCCN1
inchi:
InChI=1/C10H18O4.C4H10N2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-6-4-3-5-1/h1-8H2,(H,11,12)(H,13,14);5-6H,1-4H2


name: 3,3'-dichlorobenzidine sulphate
cas: 74332-73-3
formula: C12H10Cl2N2.xH2O4S
inchikey: HOVPEOYZHDRTFS-UHFFFAOYSA-N
norman_susdat_id: NS00089872
smiles: Nc1ccc(cc1Cl)c2ccc(N)c(Cl)c2.OS(=O)(=O)O
inchi:
InChI=1/C12H10Cl2N2.H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;1-5(2,3)4/h1-6H,15-16H2;(H2,1,2,3,4)


name: Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[2-(4-chloro-2-nitrophenyl)diazenyl]-2-methyl-
cas: 74336-59-7
dtxsid: DTXSID30888434
formula: C17H12ClN6O3
inchikey: XJYVVHWZCYUMQY-UHFFFAOYSA-N
norman_susdat_id: NS00059570
pubchem_cid: 166442
smiles: O=C1C=2C=CC=CC2N=C3C(N=NC4=CC=C(Cl)C=C4[N+](=O)[O-])=C(NN13)C
inchi:
InChI=1/C17H11ClN6O3/c1-9-15(21-20-13-7-6-10(18)8-14(13)24(26)27)16-19-12-5-3-2-4-11(12)17(25)23(16)22-9/h2-8,22H,1H3


name: 1-[(5,7-dichloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone
cas: 74336-60-0
dtxsid: DTXSID90888435
formula: C25H13Cl2N5O3
inchikey: OOWAWKKKXJSMTD-UHFFFAOYSA-N
norman_susdat_id: NS00059571
pubchem_cid: 166443
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC=4C5=NC=6C(Cl)=CC(Cl)=CC6C(=O)N5NC4C)=CC=CC13
inchi:
InChI=1/C25H13Cl2N5O3/c1-11-20(24-28-21-16(25(35)32(24)31-11)9-12(26)10-17(21)27)30-29-18-8-4-7-15-19(18)23(34)14-6-3-2-5-13(14)22(15)33/h2-10,31H,1H3


name: Ethane-1,2-diylbis(oxyethane-2,1-diyl) bisheptanoate
cas: 7434-40-4
dtxsid: DTXSID80892425
formula: C20H38O6
inchikey: GCDUWJFWXVRGSM-UHFFFAOYSA-N
norman_susdat_id: NS00047338
pubchem_cid: 81936
smiles: O=C(OCCOCCOCCOC(=O)CCCCCC)CCCCCC
inchi:
InChI=1/C20H38O6/c1-3-5-7-9-11-19(21)25-17-15-23-13-14-24-16-18-26-20(22)12-10-8-6-4-2/h3-18H2,1-2H3


name: 4-[[3-[[(3-carboxy-1-oxoallyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]-4-oxo-2-butenoic acid
cas: 74340-57-1
formula: C18H26N2O6
inchikey: OSMXVZQQWFMTPK-NNUXYFOWSA-N
norman_susdat_id: NS00059082
pubchem_cid: 3018498
smiles: O=C(O)C=CC(=O)NCC1(C)CC(NC(=O)C=CC(=O)O)CC(C)(C)C1
inchi:
InChI=1/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)


name: 4-(4-dimethylamino-1-naphthylazo)-3-methoxybenzenesulphonic acid
cas: 74347-15-2
formula: C19H19N3O4S
inchikey: IUCBYZZXKZMQDN-UHFFFAOYSA-N
norman_susdat_id: NS00059555
pubchem_cid: 2724085
smiles: O=S(=O)(O)C1=CC=C(N=NC2=CC=C(C=3C=CC=CC23)N(C)C)C(OC)=C1
inchi:
InChI=1/C19H19N3O4S/c1-22(2)18-11-10-16(14-6-4-5-7-15(14)18)20-21-17-9-8-13(27(23,24)25)12-19(17)26-3/h4-12H,1-3H3,(H,23,24,25)


name: 2-imino-3,4-dimethyl-5-phenylthiazolidine theophyllin-7-ylacetate
cas: 74347-30-1
formula: C11H14N2S.C9H10N4O4
inchikey: BKWSJDFLCCQAGZ-UHFFFAOYSA-N
norman_susdat_id: NS00089893
smiles: CC1C(SC(=N)N1C)c2ccccc2.CN3C(=O)N(C)c4ncn(CC(=O)O)c4C3=O
inchi:
InChI=1/C11H14N2S.C9H10N4O4/c1-8-10(14-11(12)13(8)2)9-6-4-3-5-7-9;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-8,10,12H,1-2H3;4H,3H2,1-2H3,(H,14,15)


name: 2-methyl-2-imidazoline hydrogen tartrate
cas: 74347-31-2
formula: C4H8N2.C4H6O6
inchikey: MLTUPVBYXCWMBU-UHFFFAOYSA-N
norman_susdat_id: NS00090363
smiles: CC1=NCCN1.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C4H8N2.C4H6O6/c1-4-5-2-3-6-4;5-1(3(7)8)2(6)4(9)10/h2-3H2,1H3,(H,5,6);1-2,5-6H,(H,7,8)(H,9,10)


name: Magnesium di(D-glycero-D-gulo-heptonate)
cas: 74347-32-3
formula: C7H14O8.1/2Mg
inchi: InChI=1/2C7H14O8.Mg/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2
inchikey: MMSNUIOBUPTENW-XBQZYUPDSA-L
norman_susdat_id: NS00089628
smiles:
[Mg+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]


name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-benzo-1,4-diazepin-2-one 4-oxide
cas: 7435-12-3
formula: C15H10ClFN2O2
inchikey: ZGTHEZQZYSLZDD-UHFFFAOYSA-N
norman_susdat_id: NS00047339
pubchem_cid: NA
smiles: O=C1NC=2C=CC(Cl)=CC2C(C=3C=CC=CC3F)=N(=O)C1
inchi:
InChI=1/C15H10ClFN2O2/c16-9-5-6-13-11(7-9)15(19(21)8-14(20)18-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)


cas: 74351-78-3
chemspiderid: 52084943
formula: C30H26Cl2N6O8
inchikey: KWITUDUPKVQKTM-XLBWEEIWSA-N
norman_susdat_id: NS00009996
pubchem_cid: NA
smiles: CC(=O)C(=NNc1cc(ccc1Cl)C(O)=O)C(=O)Nc1cc(C)c(NC(=O)C(=NNc2cc(ccc2Cl)C(O)=O)C(C)=O)cc1C
name:
Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis[4-chloro-

inchi:
InChI=1S/C30H26Cl2N6O8/c1-13-9-22(34-28(42)26(16(4)40)38-36-24-12-18(30(45)46)6-8-20(24)32)14(2)10-21(13)33-27(41)25(15(3)39)37-35-23-11-17(29(43)44)5-7-19(23)31/h5-12,35-36H,1-4H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)/b37-25-,38-26+


name: Iron abietate
cas: 74356-11-9
formula: C20H30O2.xFe
inchikey: MXIZDAHQPZOGMW-XTICBAGASA-N
norman_susdat_id: NS00090364
smiles: [Fe].OC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC\C(=C/C3=C/C[C@@H]12)C(C)C
inchi:
InChI=1/C20H30O2.Fe/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+2


name: Oxydiethylene diricinoleate
cas: 74356-18-6
formula: C40H74O7
inchikey: HHIANSNDXSMCLK-GNNYBVKZSA-L
norman_susdat_id: NS00090365
smiles: CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].C=COC=C
inchi:
InChI=1/2C18H34O3.C4H6O/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3-5-4-2/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-4H,1-2H2/p-2


name: 5,5,14,14-tetrabutyl-7,12-dioxo-6,13-dioxa-5,14-distannaoctadecane
cas: 7437-35-6
dtxsid: DTXSID1058472
formula: C30H62O4Sn2
inchikey: PLWUYEKZZZRFPA-UHFFFAOYSA-L
norman_susdat_id: NS00046770
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C6H10O4.6C4H9.2Sn/c7-5(8)3-1-2-4-6(9)10;6*1-3-4-2;;/h1-4H2,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC30H62O4Sn2/c1-7-13-23-35(24-14-8-2,25-15-9-3)33-29(31)21-19-20-22-30(32)34-36(26-16-10-4,27-17-11-5)28-18-12-6/h7-28H2,1-6H3


name: Limaprost
cas: 74397-12-9
chebiid: CHEBI:135594
formula: C22H36O5
inchikey: OJZYRQPMEIEQFC-UAWLTFRCSA-N
norman_susdat_id: NS00069853
pubchem_cid: 6438378
smiles: CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O
inchi:
InChI=1S/C22H36O5/c1-3-4-9-16(2)14-17(23)12-13-19-18(20(24)15-21(19)25)10-7-5-6-8-11-22(26)27/h8,11-13,16-19,21,23,25H,3-7,9-10,14-15H2,1-2H3,(H,26,27)/b11-8+,13-12+/t16-,17+,18+,19+,21+/m0/s1


name: ß,4-dihydroxyphenethylammonium hydrogen tartrate
cas: 74398-43-9
formula: C8H11NO2.1/2C4H6O6
inchikey: SEYAYFMQVRHSQR-UHFFFAOYSA-M
norman_susdat_id: NS00089922
smiles: [NH3+]CC(O)c1ccc(O)cc1.OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C8H11NO2.C4H6O6/c9-5-8(11)6-1-3-7(10)4-2-6;5-1(3(7)8)2(6)4(9)10/h1-4,8,10-11H,5,9H2;1-2,5-6H,(H,7,8)(H,9,10)/p-1


cas: 74398-72-4
dtxsid: DTXSID90880974
norman_susdat_id: NS00111966
name:
1-Butene, 4-bromo-3,3,4,4-tetrafluoro-, polymer with 1,1-difluoroethene, 1,1,2,3,3,3-hexafluoro-1-propene and tetrafluoroethene


name: N2-(N-benzoylglycyl)-L-arginine
cas: 744-46-7
formula: C15H21N5O4
inchikey: GFLCPYUSPYXNBV-NSHDSACASA-N
norman_susdat_id: NS00043021
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)CNC(=O)C=1C=CC=CC1)CCCNC(=N)N
inchi:
InChI=1/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)


name: N-(N-benzoylglycyl)-3-phenyl-L-alanine
cas: 744-59-2
formula: C18H18N2O4
inchikey: CCLJGZGVIQBNDH-HNNXBMFYSA-N
norman_susdat_id: NS00042585
pubchem_cid: 6994977
smiles: O=C(O)C(NC(=O)CNC(=O)C=1C=CC=CC1)CC=2C=CC=CC2
inchi:
InChI=1/C18H18N2O4/c21-16(12-19-17(22)14-9-5-2-6-10-14)20-15(18(23)24)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,19,22)(H,20,21)(H,23,24)


name: Benzobarbital
cas: 744-80-9
chemspiderid: 12402
dtxsid: DTXSID1046138
formula: C19H16N2O4
inchikey: QMOWPJIFTHVQMB-UHFFFAOYSA-N
norman_susdat_id: NS00010565
pubchem_cid: 12938
smiles: CCC1(C(=O)NC(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
inchi:
InChI=1S/C19H16N2O4/c1-2-19(14-11-7-4-8-12-14)16(23)20-18(25)21(17(19)24)15(22)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,23,25)


name: Pentaerythritol octahydrogen tetraphosphate
cas: 7440-78-0
dtxsid: DTXSID0064701
formula: C5H16O16P4
inchikey: NXWHTQVVOSZLDP-UHFFFAOYSA-N
norman_susdat_id: NS00046163
pubchem_cid: 81945
smiles: O=P(O)(O)OCC(COP(=O)(O)O)(COP(=O)(O)O)COP(=O)(O)O
inchi:
InChI=1/C5H16O16P4/c6-22(7,8)18-1-5(2-19-23(9,10)11,3-20-24(12,13)14)4-21-25(15,16)17/h1-4H2,(H2,6,7,8)(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)


cas: 7440-84-8
dtxsid: DTXSID5064702
formula: C25H23Cl2N2O4S2
inchikey: DQSWTRXLMLPWPV-UHFFFAOYSA-N
norman_susdat_id: NS00046867
pubchem_cid: NA
smiles: [H+].O=C([O-])CCN1C(SC2=CC=C(Cl)C=C21)=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CCC(=O)[O-])CC
name:
Hydrogen 3-(2-carboxylatoethyl)-2-[2-[[3-(2-carboxylatoethyl)-5-chloro-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-chlorobenzothiazolium

inchi:
InChI=1/C25H22Cl2N2O4S2.H2/c1-2-15(11-22-28(9-7-24(30)31)18-13-16(26)3-5-20(18)34-22)12-23-29(10-8-25(32)33)19-14-17(27)4-6-21(19)35-23;/h3-6,11-14H,2,7-10H2,1H3,(H-,30,31,32,33);1H/q;+1/p-1


name: Ethyl 1-(ethoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-acetate hydrochloride
cas: 74406-12-5
dtxsid: DTXSID70995934
formula: C18H22N2O4
inchikey: IRKNPZFPKSMGJO-UHFFFAOYSA-N
norman_susdat_id: NS00059601
pubchem_cid: 12876315
smiles: Cl.O=C(OCC)CC1(NCCC=2C=3C=CC=CC3NC21)C(=O)OCC
inchi:
InChI=1/C18H22N2O4.ClH/c1-3-23-15(21)11-18(17(22)24-4-2)16-13(9-10-19-18)12-7-5-6-8-14(12)20-16;/h5-8,19-20H,3-4,9-11H2,1-2H3;1H


name: N,N-Bis(hydroxymethyl)stearamide
cas: 7441-36-3
chemspiderid: 73952
dtxsid: DTXSID50225408
formula: C20H41N1O3
inchikey: OXLIPMZQMBZSLR-UHFFFAOYSA-N
norman_susdat_id: NS00037621
pubchem_cid: 81946
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CO)CO
inchi:
InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)21(18-22)19-23/h22-23H,2-19H2,1H3


name: Symlandine
cas: 74410-74-5
chebiid: CHEBI:9374
chemspiderid: 4445067
dtxsid: DTXSID10225409
formula: C20H31NO6
inchikey: MVWPTZQHBOWRTF-QKJMJVMDSA-N
norman_susdat_id: NS00094630
pubchem_cid: 5281753
smiles: CC=C(C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12
inchi:
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6-/t14-,16+,17+,20-/m0/s1


name: Clopidogrel besylate
cas: 744256-69-7
dtxsid: DTXSID30225441
formula: C22H22ClNO5S2
inchikey: CUZIJKLLBDXNFV-RSAXXLAASA-N
norman_susdat_id: NS00076262
smiles: OS(=O)(=O)C1=CC=CC=C1.COC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C1=CC=CC=C1Cl
inchi:
InChI=1S/C16H16ClNO2S.C6H6O3S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;7-10(8,9)6-4-2-1-3-5-6/h2-5,7,9,15H,6,8,10H2,1H3;1-5H,(H,7,8,9)/t15-;/m0./s1


name: N-(2-Aminoethyl)-D-gluconamide
cas: 74426-36-1
chemspiderid: 18815372
dtxsid: DTXSID90225442
formula: C8H18N2O6
inchikey: OTKYKZFJTYEDBX-MVIOUDGNSA-N
norman_susdat_id: NS00037622
pubchem_cid: 22861457
smiles: NCCNC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C8H18N2O6/c9-1-2-10-8(16)7(15)6(14)5(13)4(12)3-11/h4-7,11-15H,1-3,9H2,(H,10,16)/t4-,5+,6-,7+/m1/s1


name: 13-ethyl-3-methoxygona-1,3,5(10),8-tetraen-17ß-ol
cas: 7443-72-3
formula: C20H26O2
inchikey: VOVSXUVLXBTVLM-UFYCRDLUSA-N
norman_susdat_id: NS00046868
pubchem_cid: 111300
smiles: OC1CCC2C3=C(C=4C=CC(OC)=CC4CC3)CCC12CC
inchi:
InChI=1/C20H26O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,18-19,21H,3-4,6,8-11H2,1-2H3


cas: 74432-27-2
formula: C20H14Cl2N6O8S2
inchikey: PWASJKRQGCLICA-UHFFFAOYSA-L
norman_susdat_id: NS00060660
pubchem_cid: NA
name:
Disodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate

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

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=C(C(N=NC3=CC=C(OC)C=C3)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(Cl)N4)S(=O)(=O)[O-]


cas: 74432-28-3
dtxsid: DTXSID30225446
formula: C23H13Cl2N5O11S3
inchikey: WOYASNNQOPVZIL-UHFFFAOYSA-K
norman_susdat_id: NS00059638
pubchem_cid: 11970625
name:
Trisodium 8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate

inchi:
InChI=1/C23H13Cl2N5O11S3.3Na/c24-21-28-22(25)30-23(29-21)27-13-5-4-9(6-16(13)44(39,40)41)26-14-8-10(42(33,34)35)7-12-17(14)20(32)18-11(19(12)31)2-1-3-15(18)43(36,37)38;;;/h1-8,26H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,27,28,29,30);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=CC=CC(=C2C(=O)C3=C(C=C(C=C13)S(=O)(=O)[O-])NC4=CC=C(NC=5N=C(Cl)N=C(Cl)N5)C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: C.I. Pigment Yellow 181
cas: 74441-05-7
chemspiderid: 145685
dtxsid: DTXSID3052486
formula: C25H21N7O5
inchikey: PXMLTVJEYHGPEH-UHFFFAOYSA-N
norman_susdat_id: NS00007946
pubchem_cid: 166444
smiles: CC(=O)C(N=Nc1ccc(cc1)C(=O)Nc1ccc(cc1)C(N)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
inchi:
InChI=1S/C25H21N7O5/c1-13(33)21(24(36)28-18-10-11-19-20(12-18)30-25(37)29-19)32-31-17-8-4-15(5-9-17)23(35)27-16-6-2-14(3-7-16)22(26)34/h2-12,21H,1H3,(H2,26,34)(H,27,35)(H,28,36)(H2,29,30,37)


name: 4-Amino-N-(4-carbamoylphenyl)benzene-1-carboximidic acid
cas: 74441-06-8
chemspiderid: 2286024
dtxsid: DTXSID20995964
formula: C14H13N3O2
inchikey: FSPYMSUDIVFOHY-UHFFFAOYSA-N
norman_susdat_id: NS00001208
pubchem_cid: 3018508
smiles: NC(=O)C1=CC=C(C=C1)N=C(O)C1=CC=C(N)C=C1
inchi:
InChI=1S/C14H13N3O2/c15-11-5-1-10(2-6-11)14(19)17-12-7-3-9(4-8-12)13(16)18/h1-8H,15H2,(H2,16,18)(H,17,19)


name: 3-amino-7-(dimethylamino)-2,8-dimethylphenoxazin-5-ium chloride
cas: 74447-68-0
dtxsid: DTXSID30995970
formula: C16H18N3O
inchikey: CBBFYKNFPUKZGM-UHFFFAOYSA-M
norman_susdat_id: NS00059639
pubchem_cid: NA
smiles: [Cl-].N1=C2C=C(C(N)=CC2=[O+]C3=CC(=C(C=C13)C)N(C)C)C
inchi:
InChI=1/C16H18N3O.ClH/c1-9-5-12-15(7-11(9)17)20-16-8-14(19(3)4)10(2)6-13(16)18-12;/h5-8H,17H2,1-4H3;1H/q+1;/p-1


name: Iron triricinoleate
cas: 74449-50-6
formula: C18H34O3.1/3Fe
inchikey: RNENLEMULHKKJD-MEOCIHEDSA-K
norman_susdat_id: NS00090399
inchi:
InChI=1/3C18H34O3.Fe/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;;+3/p-3

smiles:
[Fe+3].CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O.CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O


name: Dibenzylamine, compound with boron trifluoride (1:1)
cas: 7445-38-7
formula: C14H15BF3N
inchikey: HIBIEGJGWKCJPF-UHFFFAOYSA-K
norman_susdat_id: NS00082294
smiles: [F-].[F-].[F-].C(NCc1ccccc1)c2ccccc2.[BH6+3]
inchi:
InChI=1/C14H15N.BH3.3FH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;;;;/h1-10,15H,11-12H2;1H3;3*1H/q;+3;;;/p-3


name: Lead sulphate
cas: 7446-14-2
formula: H2O4S.Pb
inchikey: KEQXNNJHMWSZHK-UHFFFAOYSA-L
norman_susdat_id: NS00082649
smiles: [Pb+2].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/H2O4S.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/p-2/rH2O4S.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4/p-2


name: Lead selenate
cas: 7446-15-3
formula: H2O4Se.Pb
inchikey: PKMXSWXQNCMWNG-UHFFFAOYSA-L
norman_susdat_id: NS00082296
smiles: [Pb+2].[O-][Se](=O)(=O)[O-]
inchi:
InChI=1/H2O4Se.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/p-2/rH2O4Se.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4/p-2


name: Diantimony tris(sulphate)
cas: 7446-32-4
formula: H2O4S.2/3Sb
inchikey: ALLBLADKSKOCFL-UHFFFAOYSA-H
norman_susdat_id: NS00082299
smiles: [SbH3+3].[SbH3+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/3H2O4S.2Sb.6H/c3*1-5(2,3)4;;;;;;;;/h3*(H2,1,2,3,4);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3H2O4S.2H3Sb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);2*1H3/q;;;2*+3/p-6


name: 4,4'-(2-Ethylhexane-1,1-diyl)diphenol
cas: 74462-02-5
chemspiderid: 10677838
dtxsid: DTXSID10549339
formula: C20H26O2
inchikey: XXHIPRDUAVCXHW-UHFFFAOYSA-N
norman_susdat_id: NS00003874
pubchem_cid: 13782487
smiles: CCCCC(CC)C(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C20H26O2/c1-3-5-6-15(4-2)20(16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h7-15,20-22H,3-6H2,1-2H3


name: 4,4'-Dodecylidenebisphenol
cas: 74462-04-7
chemspiderid: 10764904
dtxsid: DTXSID40225472
formula: C24H34O2
inchikey: YMZDMPPYBDUSMI-UHFFFAOYSA-N
norman_susdat_id: NS00037624
pubchem_cid: 20271575
smiles: CCCCCCCCCCCC(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-24(20-12-16-22(25)17-13-20)21-14-18-23(26)19-15-21/h12-19,24-26H,2-11H2,1H3


name: 2-(4-methoxyphenyl)-2-piperidinoacetamide
cas: 74467-62-2
formula: C14H20N2O2
inchikey: SEOIQQZRZTXYIL-UHFFFAOYSA-N
norman_susdat_id: NS00059603
pubchem_cid: 98469
smiles: O=C(N)C(C1=CC=C(OC)C=C1)N2CCCCC2
inchi:
InChI=1/C14H20N2O2/c1-18-12-7-5-11(6-8-12)13(14(15)17)16-9-3-2-4-10-16/h5-8,13H,2-4,9-10H2,1H3,(H2,15,17)


name: 2-(4-methoxyphenyl)-2-pyrrolidin-1-ylacetamide
cas: 74467-63-3
formula: C13H18N2O2
inchikey: QBDZSPPNNATJJA-UHFFFAOYSA-N
norman_susdat_id: NS00059640
pubchem_cid: 99005
smiles: O=C(N)C(C1=CC=C(OC)C=C1)N2CCCC2
inchi:
InChI=1/C13H18N2O2/c1-17-11-6-4-10(5-7-11)12(13(14)16)15-8-2-3-9-15/h4-7,12H,2-3,8-9H2,1H3,(H2,14,16)


name: Amoxicillin/clavulanic acid
cas: 74469-00-4
inchikey: QJVHTELASVOWBE-AGNWQMPPSA-N
norman_susdat_id: NS00078749
smiles:
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O


name: Lithium (9Z,12Z)-octadeca-9,12-dienoate
cas: 74488-09-8
formula: C18H32O2.Li
inchikey: OLMNIZJJAAWPAB-NBTZWHCOSA-M
norman_susdat_id: NS00090407
smiles: [Li+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H32O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: 3-(2-amino-4,5,6,8-tetrahydro-4,6-dioxopteridin-7(3H)-ylidene)-2-oxopropionic acid
cas: 7449-03-8
formula: C9H7N5O5
inchikey: BNJFLPKUALUAFG-UHFFFAOYSA-N
norman_susdat_id: NS00047367
pubchem_cid: NA
smiles: O=C(O)C(=O)C=C1NC=2N=C(N)NC(=O)C2NC1=O
inchi:
InChI=1/C9H7N5O5/c10-9-13-5-4(7(17)14-9)12-6(16)2(11-5)1-3(15)8(18)19/h1H,(H,12,16)(H,18,19)(H4,10,11,13,14,17)


name: Oxytocin dihydrogen citrate
cas: 74499-03-9
formula: C43H66N12O12S2.C6H8O7
inchikey: BVNZZOQHXXRKBW-BXUJZNQYSA-N
norman_susdat_id: NS00089652
inchi:
InChI=1/C43H66N12O12S2.C6H8O7/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

smiles:
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N.OC(=O)CC(O)(CC(=O)O)C(=O)O


name: 4-(5-hydroxydibenzo[a,d]cyclohepten-5-yl)-4-methylpiperidinium chloride
cas: 74499-08-4
dtxsid: DTXSID90995996
formula: C21H23NO
inchikey: QSWGRNJKYSFQJS-UHFFFAOYSA-N
norman_susdat_id: NS00059604
pubchem_cid: 53471522
smiles: [Cl-].OC1(C=2C=CC=CC2C=CC=3C=CC=CC31)C4(C)CC[NH2+]CC4
inchi:
InChI=1/C21H23NO.ClH/c1-20(12-14-22-15-13-20)21(23)18-8-4-2-6-16(18)10-11-17-7-3-5-9-19(17)21;/h2-11,22-23H,12-15H2,1H3;1H


name: Potassium 4-(4-chloro-o-tolyloxy)butyrate
cas: 74499-19-7
formula: C11H13ClO3.K
inchikey: YBCBPGLPJRYHPG-UHFFFAOYSA-M
norman_susdat_id: NS00089663
smiles: [K+].Cc1cc(Cl)ccc1OCCCC(=O)[O-]
inchi:
InChI=1/C11H13ClO3.K/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1


name: Phosphoric acid, .gamma.-.omega.-perfluoro-C8-16-alkyl esters, compds. with diethanolamine
cas: 74499-44-8
chemspiderid: NA
dtxsid: DTXSID20881873
formula: C18H6F34N1O4P1
inchikey: YJKRMSUXBRRLCZ-UHFFFAOYSA-N
norman_susdat_id: NS00007501
pubchem_cid: NA
inchi:
InChI=1S/C18H6F34NO4P/c19-3(20,7(27,28)11(35,36)15(43,44)45)5(23,24)9(31,32)13(39,40)17(49,50)56-58(55,53-1-2-54)57-18(51,52)14(41,42)10(33,34)6(25,26)4(21,22)8(29,30)12(37,38)16(46,47)48/h54H,1-2H2,(H,53,55)

smiles:
OCCNP(=O)(OC(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(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: 74499-66-4
formula: C32H24N8O11S3
inchikey: HODRTVKYUWBYAT-UHFFFAOYSA-N
norman_susdat_id: NS00089954
name:
5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C32H24N8O11S3/c33-18-1-10-24-16(11-18)13-26(53(46,47)48)29(31(24)41)39-37-21-6-2-19(3-7-21)35-36-20-4-8-22(9-5-20)38-40-30-27(54(49,50)51)14-17-12-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)

smiles:
OS(=O)(=O)c6cc1cc(N)ccc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O


cas: 74499-68-6
dtxsid: DTXSID50880975
norman_susdat_id: NS00110599
name:
Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]-, polymer with 1,1-difluoroethene and tetrafluoroethene


cas: 74499-69-7
dtxsid: DTXSID80104893
norman_susdat_id: NS00111549
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with ethene, 1,1,2,2-tetrafluoroethene and 3-(1,1,2,2-tetrafluoroethoxy)-1-propene


cas: 74499-71-1
dtxsid: DTXSID10880976
norman_susdat_id: NS00109220
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with ethene, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]propane and tetrafluoroethene


name: Prostaglandin F1α
cas: 745-62-0
chebiid: CHEBI:28852
chemspiderid: 4787
formula: C20H36O5
inchikey: DZUXGQBLFALXCR-CDIPTNKSSA-N
norman_susdat_id: NS00015161
pubchem_cid: 5280939
smiles: CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O
inchi:
InChI=1S/C20H36O5/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/h12-13,15-19,21-23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-,19+/m0/s1


name: Alprostadil
cas: 745-65-3
chebiid: CHEBI:15544
chemspiderid: 4444306
dtxsid: DTXSID9022578
formula: C20H34O5
inchikey: GMVPRGQOIOIIMI-DWKJAMRDSA-N
norman_susdat_id: NS00009541
pubchem_cid: 5280723
smiles: CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
inchi:
InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1


name: Phosphonic acid, 1,12-dodecanediylbis-
cas: 7450-59-1
chemspiderid: 11341071
dtxsid: DTXSID4074930
formula: C12H28O6P2
inchikey: BEPFDRNIALBIKQ-UHFFFAOYSA-N
norman_susdat_id: NS00037628
pubchem_cid: 22323437
smiles: OP(=O)(O)CCCCCCCCCCCCP(=O)(O)O
inchi:
InChI=1S/C12H28O6P2/c13-19(14,15)11-9-7-5-3-1-2-4-6-8-10-12-20(16,17)18/h1-12H2,(H2,13,14,15)(H2,16,17,18)


cas: 7450-97-7
dtxsid: DTXSID30225502
formula: C26H32F3N3O2S
inchikey: GGEQGDSOSYWSPU-UHFFFAOYSA-N
norman_susdat_id: NS00048006
pubchem_cid: 81955
smiles: O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(CC4)CCC5OCCCO5
name:
Succinic acid, compound with 10-[3-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]propyl]-2-(trifluoromethyl)-10H-phenothiazine (2:1)

inchi:
InChI=1/C26H32F3N3O2S.2C4H6O4/c27-26(28,29)20-7-8-24-22(19-20)32(21-5-1-2-6-23(21)35-24)11-3-10-30-13-15-31(16-14-30)12-9-25-33-17-4-18-34-25;2*5-3(6)1-2-4(7)8/h1-2,5-8,19,25H,3-4,9-18H2;2*1-2H2,(H,5,6)(H,7,8)


name: Omoconazole
cas: 74512-12-2
chemspiderid: 2298546
dtxsid: DTXSID7057818
formula: C20H17Cl3N2O2
inchikey: JMFOSJNGKJCTMJ-UHFFFAOYSA-N
norman_susdat_id: NS00003220
pubchem_cid: 68925
smiles: CC(=C(OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1
inchi:
InChI=1S/C20H17Cl3N2O2/c1-14(25-9-8-24-13-25)20(18-7-4-16(22)12-19(18)23)27-11-10-26-17-5-2-15(21)3-6-17/h2-9,12-13H,10-11H2,1H3


name: Trimegestone
cas: 74513-62-5
chebiid: CHEBI:136027
dtxsid: DTXSID90868313
formula: C22H30O3
inchikey: JUNDJWOLDSCTFK-MTZCLOFQSA-N
norman_susdat_id: NS00069859
pubchem_cid: 68926
smiles: C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C
inchi:
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1


name: NSC339673
cas: 74518-57-3
chemspiderid: 10188518
dtxsid: DTXSID70319095
formula: C18H25NO8S
inchikey: RMTHFMSBPWQULL-LTDZNUIOSA-N
norman_susdat_id: NS00094782
pubchem_cid: 14466553
smiles: OCC1OC(O[C@@H]2OC=C3[C@@H](C[C@@H]4SCCN4C3=O)[C@H]2C=C)C(O)C(O)C1O
inchi:
InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11?,12+,13?,14?,15?,17+,18?/m1/s1


cas: 7452-51-9
chemspiderid: 2299261
dtxsid: DTXSID5064708
formula: C27H27N1O6
inchikey: MHXLUBGHVIPIGK-UHFFFAOYSA-N
norman_susdat_id: NS00021343
pubchem_cid: 111302
smiles: CCN(CC)c1ccc(cc1)/C(=C/1C=C(C)C(=O)C(=C1)C(=O)O)/c1cc(C(=O)O)c(O)c(C)c1
name:
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-

inchi:
InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19-


cas: 7452-52-0
chemspiderid: 10141923
dtxsid: DTXSID0064709
formula: C27H26Cl1N1O6
inchikey: NLLQYOGZDSLZQG-UHFFFAOYSA-N
norman_susdat_id: NS00021344
pubchem_cid: 111303
smiles: CCN(CC)c1cc(Cl)c(cc1)/C(=C1/C=C(C)C(=O)C(=C1)C(=O)O)/c1cc(C(=O)O)c(O)c(C)c1
name:
Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[2-chloro-4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methyl-

inchi:
InChI=1S/C27H26ClNO6/c1-5-29(6-2)18-7-8-19(22(28)13-18)23(16-9-14(3)24(30)20(11-16)26(32)33)17-10-15(4)25(31)21(12-17)27(34)35/h7-13,30H,5-6H2,1-4H3,(H,32,33)(H,34,35)/b23-17-


name: 1-methyl-N-(methyldiphenylsilyl)-1,1-diphenylsilylamine
cas: 7453-26-1
dtxsid: DTXSID00996050
formula: C26H27NSi2
inchikey: YFONAHAKNVIHPT-UHFFFAOYSA-N
norman_susdat_id: NS00048008
pubchem_cid: 81957
smiles: C=1C=CC(=CC1)[Si](N[Si](C=2C=CC=CC2)(C=3C=CC=CC3)C)(C=4C=CC=CC4)C
inchi:
InChI=1/C26H27NSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27H,1-2H3


name: 5-oxo-L-proline, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)
cas: 74536-44-0
formula: C8H11NO3.C5H7NO3
inchikey: RYKKQQUKJJGFMN-HVDRVSQOSA-N
norman_susdat_id: NS00089676
smiles: Cc1ncc(CO)c(CO)c1O.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Sodium hydrogen 4-aminoazobenzene-3,4'-disulphonate
cas: 74543-21-8
formula: C12H11N3O6S2.Na
inchikey: YXKNHTSZQIOQDP-UHFFFAOYSA-L
norman_susdat_id: NS00090434
smiles: [Na+].Nc1ccc(cc1S(=O)(=O)[O-])N=Nc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C12H11N3O6S2.Na/c13-11-6-3-9(7-12(11)23(19,20)21)15-14-8-1-4-10(5-2-8)22(16,17)18;/h1-7H,13H2,(H,16,17,18)(H,19,20,21);/q;+1/p-2


name: Sodium hydrogen 8-aminonaphthalene-1,6-disulphonate
cas: 74543-22-9
formula: C10H9NO6S2.Na
inchikey: JICISBOQRKBFPF-UHFFFAOYSA-L
norman_susdat_id: NS00089933
smiles: [Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2


name: 2-acetyl-10-[2-(dimethylammonio)propyl]-10H-phenothiazinium maleate
cas: 7455-18-7
formula: C19H22N2OS.C4H4O4
inchikey: BACHEZCVYSHWLT-BTJKTKAUSA-N
norman_susdat_id: NS00082612
smiles: CC(C[NH+]1c2ccccc2Sc3ccc(cc13)C(=O)C)[NH+](C)C.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C19H22N2OS.C4H4O4/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,13H,12H2,1-4H3;1-2H,(H,5,6)(H,7,8)


name: Fonazine
cas: 7456-24-8
chebiid: CHEBI:135616
chemspiderid: 2979
dtxsid: DTXSID6023076
formula: C19H25N3O2S2
inchikey: VWNWVCJGUMZDIU-UHFFFAOYSA-N
norman_susdat_id: NS00002766
pubchem_cid: 3089
smiles: CC(CN1c2ccccc2Sc2ccc(cc12)S(=O)(=O)N(C)C)N(C)C
inchi:
InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3


name: phytantriol
cas: 74563-64-7
chebiid: CHEBI:47770
chemspiderid: 2286035
formula: C20H42O3
inchikey: CGIHFIDULQUVJG-UHFFFAOYSA-N
norman_susdat_id: NS00009872
pubchem_cid: 3018525
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
inchi:
InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3


name: Tin dilinoleate
cas: 74563-66-9
formula: C18H32O2.1/2Sn
inchikey: BRWZNMSSZCBVDZ-GRVYQHKQSA-L
norman_susdat_id: NS00089677
smiles: [Sn+4].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+4/p-2


name: Strontium diricinoleate
cas: 74563-70-5
formula: C18H34O3.1/2Sr
inchikey: QVFDRFNFMDYLGL-GNNYBVKZSA-L
norman_susdat_id: NS00089678
smiles: [Sr+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O3.Sr/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2


name: Calix[4]arene
cas: 74568-07-3
chemspiderid: 488909
dtxsid: DTXSID20340197
formula: C28H24O4
inchikey: YPNHVQZZPXPQOS-UHFFFAOYSA-N
norman_susdat_id: NS00037631
pubchem_cid: 562409
smiles: OC1=C2CC3=CC=CC(CC4=C(O)C(CC5=C(O)C(CC1=CC=C2)=CC=C5)=CC=C4)=C3O
inchi:
InChI=1S/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2


name: Cerium(4+) stearate
cas: 7459-41-8
formula: C18H36O2.1/4Ce
inchikey: LWOBPGZWSMGVDQ-UHFFFAOYSA-J
norman_susdat_id: NS00082602
inchi:
InChI=1/4C18H36O2.Ce/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4

smiles:
[Ce+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]


name: Atropine nitrate
cas: 7459-97-4
formula: C17H23NO3.HNO3
inchikey: MJYHSOCPRKVNKH-RIMUKSHESA-N
norman_susdat_id: NS00082995
smiles: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.O[N+](=O)[O-]
inchi:
InChI=1/C17H23NO3.HNO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;2-1(3)4/h2-6,13-16,19H,7-11H2,1H3;(H,2,3,4)


name: 3,5,5-trimethylhexyl 2,4,5-trichlorophenoxyacetate
cas: 74592-66-8
dtxsid: DTXSID90996100
formula: C17H23Cl3O3
inchikey: OZVDVFHHRMNCDJ-UHFFFAOYSA-N
norman_susdat_id: NS00059713
pubchem_cid: 3018527
smiles: O=C(OCCC(C)CC(C)(C)C)COC1=CC(Cl)=C(Cl)C=C1Cl
inchi:
InChI=1/C17H23Cl3O3/c1-11(9-17(2,3)4)5-6-22-16(21)10-23-15-8-13(19)12(18)7-14(15)20/h7-8,11H,5-6,9-10H2,1-4H3


name: 9H-Fluoren-9-one, 2,4,5,7-tetranitro-
cas: 746-53-2
chemspiderid: 62979
dtxsid: DTXSID7061067
formula: C13H4N4O9
inchikey: JOERSAVCLPYNIZ-UHFFFAOYSA-N
norman_susdat_id: NS00037644
pubchem_cid: 69780
smiles: [O-][N+](=O)c1cc2c(c3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])C2=O)c(c1)[N+](=O)[O-]
inchi:
InChI=1S/C13H4N4O9/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26/h1-4H


name: Bismuth(3+) salicylate
cas: 7460-14-2
formula: C7H6O3.1/3Bi
inchikey: KGVHFZYLPQJMNL-UHFFFAOYSA-K
norman_susdat_id: NS00082655
smiles: [BiH3+3].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-].Oc3ccccc3C(=O)[O-]
inchi:
InChI=1/3C7H6O3.Bi.3H/c3*8-6-4-2-1-3-5(6)7(9)10;;;;/h3*1-4,8H,(H,9,10);;;;/q;;;+3;;;/p-3/r3C7H6O3.BiH3/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);1H3/q;;;+3/p-3


name: 4,4'-Dimethoxy[1,1'-biphenyl]-2,2',5,5'-tetrayl tetraacetate
cas: 7461-72-5
chemspiderid: 306737
dtxsid: DTXSID20323349
formula: C22H22O10
inchikey: QBGAHSSWDUWJMX-UHFFFAOYSA-N
norman_susdat_id: NS00016240
pubchem_cid: 345839
smiles: CC(=O)OC1=CC(=C(C=C1C2=CC(=C(C=C2OC(=O)C)OC)OC(=O)C)OC(=O)C)OC
inchi:
InChI=1S/C22H22O10/c1-11(23)29-17-9-19(27-5)21(31-13(3)25)7-15(17)16-8-22(32-14(4)26)20(28-6)10-18(16)30-12(2)24/h7-10H,1-6H3


name: Tylosin tartrate
cas: 74610-55-2
inchikey: ICVKYYINQHWDLM-KBEWXLTPSA-N
norman_susdat_id: NS00077229
smiles:
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O


name: 2-(Perfluorooctyl)ethyldimethylchlorosilane
cas: 74612-30-9
dtxsid: DTXSID10225601
formula: C12H10ClF17Si
inchikey: JHCJWHBMXWOYDE-UHFFFAOYSA-N
norman_susdat_id: NS00109131
smiles: C[Si](C)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H10ClF17Si/c1-31(2,13)4-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)30/h3-4H2,1-2H3


name: 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl salicylate
cas: 7462-24-0
dtxsid: DTXSID10996122
formula: C17H22O3
inchikey: XQPZKMWBRDTOGK-UHFFFAOYSA-N
norman_susdat_id: NS00046711
pubchem_cid: 111001
smiles: O=C(OC1C2(C)CCC(C2)C1(C)C)C=3C=CC=CC3O
inchi:
InChI=1/C17H22O3/c1-16(2)11-8-9-17(3,10-11)15(16)20-14(19)12-6-4-5-7-13(12)18/h4-7,11,15,18H,8-10H2,1-3H3


name: N,N'-(2,5-dimethyl-1,4-phenylene)bis[2-[(2,4-dichlorophenyl)azo]-3-oxobutyramide]
cas: 74620-20-5
dtxsid: DTXSID70888458
formula: C28H24Cl4N6O4
inchikey: AGWFOGQTVYBHTM-UHFFFAOYSA-N
norman_susdat_id: NS00059186
pubchem_cid: 173297
smiles: O=C(NC=1C=C(C(=CC1C)NC(=O)C(N=NC2=CC=C(Cl)C=C2Cl)C(=O)C)C)C(N=NC3=CC=C(Cl)C=C3Cl)C(=O)C
inchi:
InChI=1/C28H24Cl4N6O4/c1-13-9-24(34-28(42)26(16(4)40)38-36-22-8-6-18(30)12-20(22)32)14(2)10-23(13)33-27(41)25(15(3)39)37-35-21-7-5-17(29)11-19(21)31/h5-12,25-26H,1-4H3,(H,33,41)(H,34,42)


name: 14-Deoxylactucin
cas: 74635-52-2
chemspiderid: 137640
dtxsid: DTXSID20225617
formula: C15H16O4
inchikey: LLUKLZVIROBDGI-SCUASFONSA-N
norman_susdat_id: NS00094655
pubchem_cid: 156302
smiles: CC1=CC(=O)C2=C(C)C[C@H](O)[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
inchi:
InChI=1S/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,10,12-14,17H,3-4H2,1-2H3/t10-,12-,13+,14+/m0/s1


name: 2-decyl-1,4,7,10,13-pentaoxacyclopentadecane
cas: 74649-88-0
dtxsid: DTXSID80996159
formula: C20H40O5
inchikey: OJJIHHOHJLKUBM-UHFFFAOYSA-N
norman_susdat_id: NS00060801
pubchem_cid: 12597910
smiles: O1CCOCCOCC(OCCOCC1)CCCCCCCCCC
inchi:
InChI=1/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3


name: 2-dodecyl-1,4,7,10,13-pentaoxacyclopentadecane
cas: 74649-89-1
dtxsid: DTXSID90996160
formula: C22H44O5
inchikey: DFWQSNWJMXKBJS-UHFFFAOYSA-N
norman_susdat_id: NS00059226
pubchem_cid: 12597911
smiles: O1CCOCCOCC(OCCOCC1)CCCCCCCCCCCC
inchi:
InChI=1/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-21-26-18-17-24-14-13-23-15-16-25-19-20-27-22/h22H,2-21H2,1H3


name: (-)-2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide
cas: 74651-64-2
formula: C16H25N3O5S
inchikey: SODOSTUXGWHQII-UHFFFAOYSA-N
norman_susdat_id: NS00059228
pubchem_cid: 68920
smiles: O=C(NCC1N(C)CCC1)C2=CC(=CC(OC)=C2OC)S(=O)(=O)NC
inchi:
InChI=1/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)


cas: 74651-65-3
formula: C16H25N3O5S.ClH
inchikey: ALHNNRXEJWFXLT-UHFFFAOYSA-N
norman_susdat_id: NS00089989
smiles: Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C
name:
(-)-2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride

inchi:
InChI=1/C16H25N3O5S.ClH/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2;/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20);1H


cas: 74651-67-5
formula: C16H25N3O5S.ClH
inchikey: ALHNNRXEJWFXLT-UHFFFAOYSA-N
norman_susdat_id: NS00090454
smiles: Cl.CNS(=O)(=O)c1cc(OC)c(OC)c(c1)C(=O)NCC2CCCN2C
name:
2,3-dimethoxy-5-[(methylamino)sulphonyl]-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride

inchi:
InChI=1/C16H25N3O5S.ClH/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2;/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20);1H


name: 6-nitro-2,3-diphenylquinoxaline
cas: 7466-45-7
chemspiderid: 306126
dtxsid: DTXSID30322984
formula: C20H13N3O2
inchikey: QSJFEWWENJXUCR-UHFFFAOYSA-N
norman_susdat_id: NS00017280
pubchem_cid: 345194
smiles: O=N(=O)c1ccc2c(c1)nc(c(n2)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H13N3O2/c24-23(25)16-11-12-17-18(13-16)22-20(15-9-5-2-6-10-15)19(21-17)14-7-3-1-4-8-14/h1-13H


cas: 746622-86-6
dtxsid: DTXSID80882700
norman_susdat_id: NS00111663
name:
2-Propenoic acid, 2-methyl-, 2-[[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]amino]ethyl ester, polymer with chloroethene, octadecyl 2-propenoate and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methyl-2-propenoate


name: 1,1-bis(cinnamyloxy)-2-phenylethane
cas: 74663-98-2
formula: C26H26O2
inchikey: KYKTVHZQISJUQV-XOBNHNQQSA-N
norman_susdat_id: NS00060802
pubchem_cid: 6365740
smiles: O(CC=CC=1C=CC=CC1)C(OCC=CC=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C26H26O2/c1-4-12-23(13-5-1)18-10-20-27-26(22-25-16-8-3-9-17-25)28-21-11-19-24-14-6-2-7-15-24/h1-19,26H,20-22H2


name: 4,4'-Pentamethylenedioxydibenzonitrile
cas: 7467-71-2
chemspiderid: 73982
dtxsid: DTXSID90225649
formula: C19H18N2O2
inchikey: DHTURPCVCDUKBT-UHFFFAOYSA-N
norman_susdat_id: NS00037646
pubchem_cid: 81977
smiles: N#Cc1ccc(OCCCCCOc2ccc(cc2)C#N)cc1
inchi:
InChI=1S/C19H18N2O2/c20-14-16-4-8-18(9-5-16)22-12-2-1-3-13-23-19-10-6-17(15-21)7-11-19/h4-11H,1-3,12-13H2


cas: 74677-70-6
formula: C30H37N5
inchikey: DHQRQJGKJDBZCM-SFQUDFHCSA-N
norman_susdat_id: NS00059700
pubchem_cid: 6365741
smiles: N=1C=CC=CC1N2N=C(C=CC3=CC=C(C=C3)N(CC)CC)CC2C4=CC=C(C=C4)N(CC)CC
name:
4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-(2-pyridyl)-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline

inchi:
InChI=1/C30H37N5/c1-5-33(6-2)27-18-13-24(14-19-27)12-17-26-23-29(35(32-26)30-11-9-10-22-31-30)25-15-20-28(21-16-25)34(7-3)8-4/h9-22,29H,5-8,23H2,1-4H3


cas: 74680-07-2
formula: C23H31N5O4S
inchikey: UIXYQZIHFQKFOZ-UHFFFAOYSA-N
norman_susdat_id: NS00059701
pubchem_cid: 173299
smiles: O=C(NC1CCC(C)CC1)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)N(C3=NC=CC=C3)C
name:
N-[[(4-methylcyclohexyl)amino]carbonyl]-4-[2-[[(methyl-2-pyridylamino)carbonyl]amino]ethyl]benzenesulphonamide

inchi:
InChI=1/C23H31N5O4S/c1-17-6-10-19(11-7-17)26-22(29)27-33(31,32)20-12-8-18(9-13-20)14-16-25-23(30)28(2)21-5-3-4-15-24-21/h3-5,8-9,12-13,15,17,19H,6-7,10-11,14,16H2,1-2H3,(H,25,30)(H2,26,27,29)


name: Methyl 2,2,2-trifluoroethyl 4-(2-chlorophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 74687-14-2
dtxsid: DTXSID30996205
formula: C18H17ClF3NO4
inchikey: XBNFAKYRYKBSAO-UHFFFAOYSA-N
norman_susdat_id: NS00059766
pubchem_cid: 173301
smiles: O=C(OC)C1=C(NC(=C(C(=O)OCC(F)(F)F)C1C=2C=CC=CC2Cl)C)C
inchi:
InChI=1/C18H17ClF3NO4/c1-9-13(16(24)26-3)15(11-6-4-5-7-12(11)19)14(10(2)23-9)17(25)27-8-18(20,21)22/h4-7,15,23H,8H2,1-3H3


name: Hydroxychloroquine sulfate
cas: 747-36-4
dtxsid: DTXSID1047811
formula: C18H28ClN3O5S
inchikey: JCBIVZZPXRZKTI-UHFFFAOYSA-N
norman_susdat_id: NS00076196
smiles: OS(O)(=O)=O.CCN(CCO)CCCC(C)NC1=CC=NC2=CC(Cl)=CC=C12
inchi:
InChI=1/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)


name: Cholesta-3,5-diene
cas: 747-90-0
chebiid: CHEBI:166791
formula: C27H44
inchikey: RLHIRZFWJBOHHD-HKQCOZBKSA-N
norman_susdat_id: NS00042558
pubchem_cid: 92835
smiles: C1=CCCC2(C1=CCC3C2CCC4(C)C(CCC34)C(C)CCCC(C)C)C
inchi:
InChI=1/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3


name: 4-(Heptadecafluorooctyl)benzoic acid
cas: 74701-33-0
dtxsid: DTXSID70633400
formula: C15H5F17O2
inchikey: AIOWABGMWFAARU-UHFFFAOYSA-N
norman_susdat_id: NS00111260
smiles: OC(=O)C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H5F17O2/c16-8(17,6-3-1-5(2-4-6)7(33)34)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H,(H,33,34)


name: Zaltoprofen
cas: 74711-43-6
chemspiderid: 5518
dtxsid: DTXSID0049076
formula: C17H14O3S1
inchikey: MUXFZBHBYYYLTH-UHFFFAOYNA-N
norman_susdat_id: NS00037652
pubchem_cid: NA
smiles: CC(C(=O)O)c1cc2c(Sc3c(cccc3)C(=O)C2)cc1
inchi:
InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m1/s1


name: Tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)bis(sulphonylimino)]bismethanesulphonate
cas: 74727-37-0
dtxsid: DTXSID00996252
formula: C16H14N2O12S4
inchikey: VIBJMBGJCMAOIO-UHFFFAOYSA-J
norman_susdat_id: NS00059767
pubchem_cid: 53471542
inchi:
InChI=1/2C16H14N2O12S4.4Na/c2*19-15-11-3-1-9(33(27,28)17-7-31(21,22)23)5-13(11)16(20)12-4-2-10(6-14(12)15)34(29,30)18-8-32(24,25)26;;;;/h2*1-6,17-18H,7-8H2,(H,21,22,23)(H,24,25,26);;;;/q;;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1C2=CC=C(C=C2C(=O)C3=CC=C(C=C13)S(=O)(=O)NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-].O=C1C2=CC=C(C=C2C(=O)C3=CC=C(C=C13)S(=O)(=O)NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-]


name: Tetrasodium [(9,10-dihydro-9,10-dioxoanthracene-1,6-diyl)bis(sulphonylimino)]bismethanesulphonate
cas: 74727-48-3
dtxsid: DTXSID60996253
formula: C16H14N2O12S4
inchikey: OPSMSSMATZWMJR-UHFFFAOYSA-J
norman_susdat_id: NS00059768
pubchem_cid: 53471543
inchi:
InChI=1/2C16H14N2O12S4.4Na/c2*19-15-11-2-1-3-13(34(29,30)18-8-32(24,25)26)14(11)16(20)10-5-4-9(6-12(10)15)33(27,28)17-7-31(21,22)23;;;;/h2*1-6,17-18H,7-8H2,(H,21,22,23)(H,24,25,26);;;;/q;;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1C2=CC=CC(=C2C(=O)C3=CC=C(C=C13)S(=O)(=O)NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-].O=C1C2=CC=CC(=C2C(=O)C3=CC=C(C=C13)S(=O)(=O)NCS(=O)(=O)[O-])S(=O)(=O)NCS(=O)(=O)[O-]


name: 2-(1-(2-(Benzoyloxy)-3,5-dimethylphenyl)-2-isobutyl)-4,6-xylenol
cas: 74728-03-3
chemspiderid: NA
dtxsid: DTXSID40225710
formula: C27H30O3
inchikey: AUDGCQQBJPBZHD-UHFFFAOYSA-N
norman_susdat_id: NS00037654
pubchem_cid: 44152464
smiles: Cc1cc(C)c(OC(=O)c2ccccc2)c(CC(C)(C)c2cc(C)cc(C)c2O)c1
inchi:
InChI=1S/C27H30O3/c1-17-13-20(4)25(30-26(29)21-10-8-7-9-11-21)22(14-17)16-27(5,6)23-15-18(2)12-19(3)24(23)28/h7-15,28H,16H2,1-6H3


name: Bia
cas: 747401-28-1
formula: C20H20F3N3O5
inchikey: KVIVJQWOYSWCCZ-UHFFFAOYSA-N
norman_susdat_id: NS00069694
pubchem_cid: 4369285
smiles: O=C(CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc(O)c(O)c([N+](=O)[O-])c1
inchi:
InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2


cas: 747412-64-2
formula: C27H33N3O5
inchikey: WLYWTGDTMWWNNG-UHFFFAOYSA-N
norman_susdat_id: NS00071237
smiles: CCNC(=O)c1noc(-c2cc(C(C)(C)C)c(O)cc2O)c1-c1ccc(CN2CCOCC2)cc1
name:
5-(5-tert-butyl-2,4-dihydroxyphenyl)-n-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide

inchi:
InChI=1S/C27H33N3O5/c1-5-28-26(33)24-23(18-8-6-17(7-9-18)16-30-10-12-34-13-11-30)25(35-29-24)19-14-20(27(2,3)4)22(32)15-21(19)31/h6-9,14-15,31-32H,5,10-13,16H2,1-4H3,(H,28,33)


name: Ver-50589
cas: 747413-08-7
formula: C19H17ClN2O5
inchikey: JXPCDMPJCKNLBY-UHFFFAOYSA-N
norman_susdat_id: NS00071235
smiles: CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1
inchi:
InChI=1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25)


name: Ethyl (S)-a-[(4-aminophenyl)methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate
cas: 74743-23-0
formula: C19H18N2O4
inchikey: RYROTMZMTMCWEP-INIZCTEOSA-N
norman_susdat_id: NS00059230
pubchem_cid: 774933
smiles: O=C(OCC)C(N1C(=O)C=2C=CC=CC2C1=O)CC3=CC=C(N)C=C3
inchi:
InChI=1/C19H18N2O4/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23/h3-10,16H,2,11,20H2,1H3


name: Dobutamine hydrobromide
cas: 74753-15-4
formula: C18H23NO3.BrH
inchikey: QMCDOYGKCFLHBO-UHFFFAOYSA-N
norman_susdat_id: NS00089722
smiles: Br.CC(CCc1ccc(O)cc1)NCCc2ccc(O)c(O)c2
inchi:
InChI=1/C18H23NO3.BrH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H


name: 4,4'-bi-o-toluidine sulphate
cas: 74753-18-7
formula: C14H16N2.xH2O4S
inchikey: OXFWUANWIXMLRI-UHFFFAOYSA-N
norman_susdat_id: NS00093473
smiles: Cc1cc(ccc1N)c2ccc(N)c(C)c2.OS(=O)(=O)O
inchi:
InChI=1/C14H16N2.H2O4S/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)


name: 1-(1,3-benzodioxol-5-ylcarbonyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazinium chloride
cas: 74754-17-9
dtxsid: DTXSID70996269
formula: C21H22N2O5
inchikey: BIIUXCUKWDKFPF-UHFFFAOYSA-N
norman_susdat_id: NS00059974
pubchem_cid: 16205309
smiles: [Cl-].O=C(C1=CC=C2OCOC2=C1)[NH+]3CCN(CC3)CC4OC=5C=CC=CC5OC4
inchi:
InChI=1/C21H22N2O5.ClH/c24-21(15-5-6-18-20(11-15)27-14-26-18)23-9-7-22(8-10-23)12-16-13-25-17-3-1-2-4-19(17)28-16;/h1-6,11,16H,7-10,12-14H2;1H


name: Sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butyrate
cas: 74755-21-8
formula: C18H18ClNO4.Na
inchikey: XLGYRQNAXHSHGM-UHFFFAOYSA-M
norman_susdat_id: NS00090085
smiles: [Na+].COc1ccc(cc1)N(CCCC(=O)[O-])C(=O)c2ccc(Cl)cc2
inchi:
InChI=1/C18H18ClNO4.Na/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13;/h4-11H,2-3,12H2,1H3,(H,21,22);/q;+1/p-1


cas: 74764-74-2
formula: C26H20N5O11S3
inchikey: KCCWXWDBPHDQCI-XOYOJFQASA-K
norman_susdat_id: NS00060007
pubchem_cid: 11970629
name:
Trisodium 2-[2-(4-nitro-2-sulphonatophenyl)vinyl]-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]benzenesulphonate

inchi:
InChI=1/C26H19N5O11S3.3Na/c32-31(33)23-12-4-18(26(16-23)45(40,41)42)2-1-17-3-5-22(15-25(17)44(37,38)39)30-29-20-8-6-19(7-9-20)27-28-21-10-13-24(14-11-21)43(34,35)36;;;/h1-16H,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: 3,3'-dimethyl-1,1'-diphenyl-4,4'-bi-5-pyrazolone
cas: 7477-67-0
dtxsid: DTXSID00864068
formula: C20H18N4O2
inchikey: CIJVXSIRUQCTBV-UHFFFAOYSA-N
norman_susdat_id: NS00046713
pubchem_cid: 6610904
smiles: O=C1C(C=2C(=O)N(NC2C)C=3C=CC=CC3)=C(NN1C=4C=CC=CC4)C
inchi:
InChI=1/C20H18N4O2/c1-13-17(19(25)23(21-13)15-9-5-3-6-10-15)18-14(2)22-24(20(18)26)16-11-7-4-8-12-16/h3-12,21-22H,1-2H3


name: Ciglitazone
cas: 74772-77-3
dtxsid: DTXSID0040757
formula: C18H23NO3S
inchikey: YZFWTZACSRHJQD-HNNXBMFYSA-N
norman_susdat_id: NS00068462
smiles: CC1(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)CCCCC1
inchi:
InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,15H,2-4,9-12H2,1H3,(H,19,20,21)/t15-/m0/s1


name: Diethyl (3,4,5-trimethoxybenzoyl)malonate
cas: 7478-67-3
chemspiderid: 73999
dtxsid: DTXSID50225761
formula: C17H22O8
inchikey: FJBSMQDCNWGUEC-UHFFFAOYSA-N
norman_susdat_id: NS00037658
pubchem_cid: 81994
smiles: CCOC(=O)C(C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1
inchi:
InChI=1S/C17H22O8/c1-6-24-16(19)13(17(20)25-7-2)14(18)10-8-11(21-3)15(23-5)12(9-10)22-4/h8-9,13H,6-7H2,1-5H3


name: a-[4-[2-(dimethylamino)ethoxy]phenyl]-ß-ethyl-a-phenylphenethyl alcohol
cas: 748-97-0
formula: C26H31NO2
inchikey: VFFBJZCCXOYRNN-UHFFFAOYSA-N
norman_susdat_id: NS00042586
pubchem_cid: 102478
smiles: OC(C=1C=CC=CC1)(C2=CC=C(OCCN(C)C)C=C2)C(C=3C=CC=CC3)CC
inchi:
InChI=1/C26H31NO2/c1-4-25(21-11-7-5-8-12-21)26(28,22-13-9-6-10-14-22)23-15-17-24(18-16-23)29-20-19-27(2)3/h5-18,25,28H,4,19-20H2,1-3H3


name: 4-(5-hexyl-1,3-dioxan-2-yl)benzonitrile
cas: 74800-44-5
dtxsid: DTXSID60225772
formula: C17H23NO2
inchikey: OGCKMDSDEJZJIZ-UHFFFAOYSA-N
norman_susdat_id: NS00058602
pubchem_cid: 11970631
smiles: N#CC1=CC=C(C=C1)C2OCC(CO2)CCCCCC
inchi:
InChI=1/C17H23NO2/c1-2-3-4-5-6-15-12-19-17(20-13-15)16-9-7-14(11-18)8-10-16/h7-10,15,17H,2-6,12-13H2,1H3


name: 4-(5-heptyl-1,3-dioxan-2-yl)benzonitrile
cas: 74800-45-6
dtxsid: DTXSID20225773
formula: C18H25NO2
inchikey: HJTXWRYYUUFEPX-UHFFFAOYSA-N
norman_susdat_id: NS00059102
pubchem_cid: 11970632
smiles: N#CC1=CC=C(C=C1)C2OCC(CO2)CCCCCCC
inchi:
InChI=1/C18H25NO2/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,16,18H,2-7,13-14H2,1H3


name: 4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
cas: 74800-54-7
chemspiderid: 473294
dtxsid: DTXSID80225774
formula: C15H19N1O2
inchikey: ZCZHIMLDHBRGMF-UHFFFAOYSA-N
norman_susdat_id: NS00037660
pubchem_cid: 543680
smiles: CCCCC1COC(OC1)c1ccc(cc1)C#N
inchi:
InChI=1S/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3/t13-,15+


name: 4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile
cas: 74800-62-7
dtxsid: DTXSID40225775
formula: C16H21NO2
inchikey: SSXIKUCDZOQOKB-UHFFFAOYSA-N
norman_susdat_id: NS00059122
pubchem_cid: 543324
smiles: N#CC1=CC=C(C=C1)C2OCC(CO2)CCCCC
inchi:
InChI=1/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3


name: Ethyl N2-acetyl-L-argininate monohydrochloride
cas: 74802-30-5
formula: C10H20N4O3.ClH
inchikey: WLGRWHIZSQXDMC-QRPNPIFTSA-N
norman_susdat_id: NS00089635
smiles: Cl.CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)C
inchi:
InChI=1/C10H20N4O3.ClH/c1-3-17-9(16)8(14-7(2)15)5-4-6-13-10(11)12;/h8H,3-6H2,1-2H3,(H,14,15)(H4,11,12,13);1H


name: 2',3'-Dideoxycytidine
cas: 7481-89-2
chebiid: CHEBI:10101
chemspiderid: 22498
dtxsid: DTXSID0023747
formula: C9H13N3O3
inchikey: WREGKURFCTUGRC-POYBYMJQSA-N
norman_susdat_id: NS00005543
pubchem_cid: 24066
smiles: Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1
inchi:
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1


name: 5-[(3-methoxypropyl)amino]-8-[(2-methyl-4-nitrophenyl)azo]-1-naphthol
cas: 74839-42-2
formula: C21H23N4O4
inchikey: WLOUFSLGZBXYCS-UHFFFAOYSA-N
norman_susdat_id: NS00059103
pubchem_cid: 135750082
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(NCCCOC)C=3C=CC=C(O)C23)C(=C1)C
inchi:
InChI=1/C21H22N4O4/c1-14-13-15(25(27)28)7-8-17(14)23-24-19-10-9-18(22-11-4-12-29-2)16-5-3-6-20(26)21(16)19/h3,5-10,13,22,26H,4,11-12H2,1-2H3


name: 8-[(2-chloro-4-nitrophenyl)azo]-5-[(3-methoxypropyl)amino]-1-naphthol
cas: 74839-55-7
formula: C20H20ClN4O4
inchikey: VUZLFEYRTSXBGC-UHFFFAOYSA-N
norman_susdat_id: NS00058604
pubchem_cid: 135750083
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(NCCCOC)C=3C=CC=C(O)C23)C(Cl)=C1
inchi:
InChI=1/C20H19ClN4O4/c1-29-11-3-10-22-16-8-9-18(20-14(16)4-2-5-19(20)26)24-23-17-7-6-13(25(27)28)12-15(17)21/h2,4-9,12,22,26H,3,10-11H2,1H3


name: Triphenyl(3-phenylpropyl)phosphonium bromide
cas: 7484-37-9
dtxsid: DTXSID80996351
formula: C27H26P
inchikey: RPUZOJFXAPSSJD-UHFFFAOYSA-M
norman_susdat_id: NS00046714
pubchem_cid: 10928647
smiles: [Br-].C=1C=CC(=CC1)CCC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C27H26P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-12,14-15,17-22H,13,16,23H2;1H/q+1;/p-1


name: 3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
cas: 74841-38-6
formula: C18H20O3
inchikey: OMKMCEVABFYVSE-UHFFFAOYSA-N
norman_susdat_id: NS00058605
pubchem_cid: 53424979
smiles: O=C1C(=CC2=CC=C3OCOC3=C2)C4CCC1(C)C4(C)C
inchi:
InChI=1/C18H20O3/c1-17(2)13-6-7-18(17,3)16(19)12(13)8-11-4-5-14-15(9-11)21-10-20-14/h4-5,8-9,13H,6-7,10H2,1-3H3


name: Iloprost
cas: 74843-14-4
dtxsid: DTXSID20225814
formula: C22H32O4
inchikey: HIFJCPQKFCZDDL-ITQKTNNISA-N
norman_susdat_id: NS00098941
pubchem_cid: 11639089
smiles: CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
inchi:
InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15-,17-,18+,19-,20+,21+/m0/s1


name: Pyronaridine
cas: 74847-35-1
chebiid: CHEBI:135951
formula: C29H32ClN5O2
inchikey: DJUFPMUQJKWIJB-UHFFFAOYSA-N
norman_susdat_id: NS00069553
smiles: COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
inchi:
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)


name: Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-
cas: 74852-62-3
chemspiderid: 136033
dtxsid: DTXSID00225817
formula: C17H21N3O1
inchikey: VXEGSRKPIUDPQT-UHFFFAOYSA-N
norman_susdat_id: NS00037661
pubchem_cid: 154406
smiles: COc1ccc(cc1)N1CCN(CC1)c1ccc(N)cc1
inchi:
InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3


name: 2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one
cas: 74853-07-9
chemspiderid: 3454785
dtxsid: DTXSID60225818
formula: C19H21N5O2
inchikey: SEHQVBVJJRRRSG-UHFFFAOYSA-N
norman_susdat_id: NS00037662
pubchem_cid: 4246597
smiles: COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1)n1cn[nH]c1=O
inchi:
InChI=1S/C19H21N5O2/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25/h2-9,14H,10-13H2,1H3,(H,21,25)


name: Tributylvinylstannane
cas: 7486-35-3
dtxsid: DTXSID40225836
formula: C14H27Sn
inchikey: SHPQVJNNBXMZRW-UHFFFAOYSA-N
norman_susdat_id: NS00047428
pubchem_cid: 53438229
smiles: [Sn]C(=C(CCCC)CCCC)CCCC
inchi:
InChI=1/C14H27.Sn/c1-4-7-10-13-14(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+3/rC14H27Sn/c1-4-7-10-13(11-8-5-2)14(15)12-9-6-3/h4-12H2,1-3H3/q+3


name: 2-[(11H-Dibenzo[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione
cas: 74860-00-7
chemspiderid: 9317830
dtxsid: DTXSID90456774
formula: C23H16N2O2
inchikey: QAVFEJRLIYLUBJ-UHFFFAOYSA-N
norman_susdat_id: NS00002048
pubchem_cid: 11142718
smiles: O=C1N(CC2=Nc3ccccc3Cc3ccccc23)C(=O)c2ccccc12
inchi:
InChI=1S/C23H16N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12H,13-14H2


name: Argatroban
cas: 74863-84-6
chemspiderid: 389444
dtxsid: DTXSID7046467
formula: C23H36N6O5S1
inchikey: KXNPVXPOPUZYGB-VSVYTNTFSA-N
norman_susdat_id: NS00006861
pubchem_cid: 440542
smiles: C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)c1cccc2CC(C)CNc12
inchi:
InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17?,18-/m1/s1


name: Lauric acid, compound with 2,2'-iminodiethanol (1:1)
cas: 7487-79-8
formula: C12H24O2.C4H11NO2
inchikey: MGDNLGRMXPBCOR-UHFFFAOYSA-N
norman_susdat_id: NS00082449
smiles: CCCCCCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/C12H24O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-3-1-5-2-4-7/h2-11H2,1H3,(H,13,14);5-7H,1-4H2


name: 13,14-Dihydro-15-keto Prostaglandin A2
cas: 74872-89-2
chebiid: CHEBI:89315
chemspiderid: 4446169
formula: C20H30O4
inchikey: FMKLAIBZMCURLI-BFVRRIQPSA-N
norman_susdat_id: NS00016946
pubchem_cid: 5283042
smiles: CCCCCC(=O)CCC1C=CC(=O)C1CC=CCCCC(=O)O
inchi:
InChI=1S/C20H30O4/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/h4,7,13,15-16,18H,2-3,5-6,8-12,14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1


name: 2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)1H-benzimidazolium acetate
cas: 74878-48-1
formula: C19H19N2O4S.C2H3O2
inchikey: LFEGBBYAYJXRBY-UHFFFAOYSA-N
norman_susdat_id: NS00089414
smiles: COc1ccc2cc(oc2c1)C3N(C)c4cc(ccc4[NH+]3C)S(=O)(=O)C.CC(=O)[O-]
inchi:
InChI=1/C19H20N2O4S.C2H4O2/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-2(3)4/h5-11,19H,1-4H3;1H3,(H,3,4)


cas: 74878-56-1
dtxsid: DTXSID40996377
formula: C25H24N4O3
inchikey: WHMFCIKOUYHWQX-UHFFFAOYSA-N
norman_susdat_id: NS00059104
pubchem_cid: 3018547
smiles: [Cl-].O=C(OCC)C[NH+]1C=2C=CC=CC2N(C)C1C=3OC(=CC3)C4=NN(C=C4)C=5C=CC=CC5
name:
1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium chloride

inchi:
InChI=1/C25H24N4O3.ClH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H


name: N-[5-(Heptafluoropropyl)[1,1'-biphenyl]-2-yl]benzamide
cas: 748785-00-4
dtxsid: DTXSID00896223
formula: C22H14F7NO
inchikey: OXEFQYACCKRTBE-UHFFFAOYSA-N
norman_susdat_id: NS00109037
smiles: FC(F)(F)C(F)(F)C(F)(F)c1ccc(NC(=O)c2ccccc2)c(c1)-c1ccccc1
inchi:
InChI=1S/C22H14F7NO/c23-20(24,21(25,26)22(27,28)29)16-11-12-18(17(13-16)14-7-3-1-4-8-14)30-19(31)15-9-5-2-6-10-15/h1-13H,(H,30,31)


name: 5-[(4-anilino-5-sulphonaphthyl)azo]-4-hydroxynaphthalene-2,7-disulphonic acid
cas: 7488-76-8
formula: C26H19N3O10S3
inchikey: QFVHZQCOUORWEI-UHFFFAOYSA-N
norman_susdat_id: NS00082450
smiles: OS(=O)(=O)c1cccc5c1c(Nc2ccccc2)ccc5N=Nc3cc(cc4cc(cc(O)c34)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/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)


name: alpha-Carotene
cas: 7488-99-5
chebiid: CHEBI:35147
dtxsid: DTXSID00893691
formula: C40H56
inchikey: ANVAOWXLWRTKGA-NTXLUARGSA-N
norman_susdat_id: NS00076982
smiles: CC(C=CC=C(/C)C=C[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
inchi:
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-/m0/s1


name: Spiperone
cas: 749-02-0
chebiid: CHEBI:9233
dtxsid: DTXSID5045205
formula: C23H26FN3O2
inchikey: DKGZKTPJOSAWFA-UHFFFAOYSA-N
norman_susdat_id: NS00042134
pubchem_cid: 5265
smiles: O=C(C1=CC=C(F)C=C1)CCCN2CCC3(C(=O)NCN3C=4C=CC=CC4)CC2
inchi:
InChI=1/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)


name: Trifluperidol
cas: 749-13-3
chebiid: CHEBI:135662
chemspiderid: 5366
dtxsid: DTXSID4023703
formula: C22H23F4N1O2
inchikey: GPMXUUPHFNMNDH-UHFFFAOYSA-N
norman_susdat_id: NS00010654
pubchem_cid: 5567
smiles: c1cc(cc(c1)C(F)(F)F)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O
inchi:
InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2


name: Pyridoxine 4,5-dicaprylate
cas: 749-99-5
chemspiderid: 62981
dtxsid: DTXSID40225876
formula: C24H39N1O5
inchikey: IVCPRWHRGQGMPM-UHFFFAOYSA-N
norman_susdat_id: NS00037670
pubchem_cid: 69782
smiles: CCCCCCCC(=O)OCc1c(OC(=O)CCCCCCC)c(C)ncc1CO
inchi:
InChI=1S/C24H39NO5/c1-4-6-8-10-12-14-22(27)29-18-21-20(17-26)16-25-19(3)24(21)30-23(28)15-13-11-9-7-5-2/h16,26H,4-15,17-18H2,1-3H3


name: Sodium 4-(p-aminoanilino)-3-nitrobenzenesulphonate
cas: 74900-77-9
formula: C12H11N3O5S.Na
inchikey: JJZUHCIOZCTEBR-UHFFFAOYSA-M
norman_susdat_id: NS00090103
smiles: [Na+].Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)[O-])cc1
inchi:
InChI=1/C12H11N3O5S.Na/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17;/h1-7,14H,13H2,(H,18,19,20);/q;+1/p-1


name: Salicylic acid, compound with dodecylamine (1:1)
cas: 7491-21-6
formula: C12H27N.C7H6O3
inchikey: BDBHIKNRLLPPCL-UHFFFAOYSA-N
norman_susdat_id: NS00082136
smiles: CCCCCCCCCCCCN.OC(=O)c1ccccc1O
inchi:
InChI=1/C12H27N.C7H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;8-6-4-2-1-3-5(6)7(9)10/h2-13H2,1H3;1-4,8H,(H,9,10)


name: 2-bromo-3-hydroxy-1-methyl-2-nitrobutyl decanoate
cas: 74912-42-8
dtxsid: DTXSID40888460
formula: C15H29BrNO5
inchikey: JLPOMTDHZCNARV-UHFFFAOYSA-N
norman_susdat_id: NS00060009
pubchem_cid: 173321
smiles: O=C(OC(C)C(Br)([N+](=O)[O-])C(O)C)CCCCCCCCC
inchi:
InChI=1/C15H28BrNO5/c1-4-5-6-7-8-9-10-11-14(19)22-13(3)15(16,12(2)18)17(20)21/h12-13,18H,4-11H2,1-3H3


name: Colorex 13bis
cas: 74918-21-1
chemspiderid: 10645051
dtxsid: DTXSID40225891
formula: C15H20N4O2
inchikey: UXPUOLAAWYPPLE-UHFFFAOYSA-N
norman_susdat_id: NS00022747
pubchem_cid: 21895880
smiles: Cl.Cl.Cl.Cl.Nc1cc(N)c(OCCCOc2c(N)cc(N)cc2)cc1
inchi:
InChI=1S/C15H20N4O2/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19/h2-5,8-9H,1,6-7,16-19H2


name: 4-Chloro-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide
cas: 74918-83-5
chemspiderid: 2342731
dtxsid: DTXSID60225893
formula: C27H40Cl1N1O2
inchikey: BXJYXMAJSAZMOY-UHFFFAOYSA-N
norman_susdat_id: NS00037665
pubchem_cid: 3086010
smiles: CCCCCCCCCCCCCCCCNC(=O)c1c(O)c2c(cccc2)c(Cl)c1
inchi:
InChI=1S/C27H40ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-29-27(31)24-21-25(28)22-18-15-16-19-23(22)26(24)30/h15-16,18-19,21,30H,2-14,17,20H2,1H3,(H,29,31)


name: Potassium ricinoleate
cas: 7492-30-0
formula: C18H34O3.K
inchikey: VAKMIIPDYZXBEV-DPMBMXLASA-M
norman_susdat_id: NS00082093
smiles: [K+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1


name: Galactaric acid, compound with N,1,5-trimethylhex-4-en-1-ylamine (1:2)
cas: 7492-31-1
formula: C9H19N.1/2C6H10O8
inchikey: WSXKZIDINJKWPM-IBGZLQDMSA-N
norman_susdat_id: NS00082451
smiles: CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O[C@H]([C@H](O)[C@@H](O)C(=O)O)[C@H](O)C(=O)O
inchi:
InChI=1/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)


name: Isopropamide
cas: 7492-32-2
chebiid: CHEBI:6043
chemspiderid: 3643
dtxsid: DTXSID9023174
formula: C23H33N2O1
inchikey: JTPUMZTWMWIVPA-UHFFFAOYSA-O
norman_susdat_id: NS00008406
pubchem_cid: 3775
smiles: CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C
inchi:
InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1


name: (1,3-diphenylbutyl)-o-xylene
cas: 74921-47-4
dtxsid: DTXSID80996412
formula: C24H26
inchikey: BTNYARJZYPLRIO-UHFFFAOYSA-N
norman_susdat_id: NS00059105
pubchem_cid: 3018552
smiles: C=1C=CC(=CC1)C(C=2C=CC=C(C2C)C)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-18-11-10-16-23(20(18)3)24(22-14-8-5-9-15-22)17-19(2)21-12-6-4-7-13-21/h4-16,19,24H,17H2,1-3H3


name: 2-[(4-chlorophenyl)amino]-2-(2,6-dichlorophenyl)acetamide
cas: 74932-41-5
dtxsid: DTXSID40996438
formula: C14H11Cl3N2O
inchikey: JQWGMBWZTWUTFY-UHFFFAOYSA-N
norman_susdat_id: NS00059123
pubchem_cid: 486459
smiles: O=C(N)C(NC1=CC=C(Cl)C=C1)C=2C(Cl)=CC=CC2Cl
inchi:
InChI=1/C14H11Cl3N2O/c15-8-4-6-9(7-5-8)19-13(14(18)20)12-10(16)2-1-3-11(12)17/h1-7,13,19H,(H2,18,20)


name: (o-tolylamino)(2,3,6-trichlorophenyl)acetic acid
cas: 74935-12-9
dtxsid: DTXSID00996439
formula: C15H12Cl3NO2
inchikey: YBWPTKAUJONDQJ-UHFFFAOYSA-N
norman_susdat_id: NS00058606
pubchem_cid: 3018555
smiles: O=C(O)C(NC=1C=CC=CC1C)C=2C(Cl)=CC=C(Cl)C2Cl
inchi:
InChI=1/C15H12Cl3NO2/c1-8-4-2-3-5-11(8)19-14(15(20)21)12-9(16)6-7-10(17)13(12)18/h2-7,14,19H,1H3,(H,20,21)


name: Methyl hydrogen 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
cas: 74936-72-4
chemspiderid: 151324
formula: C16H16N2O6
inchikey: JPXPPUOCSLMCHK-UHFFFAOYSA-N
norman_susdat_id: NS00010098
pubchem_cid: 173322
smiles: COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(O)=O
inchi:
InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)


name: 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-phenoxyethyl)amino]propiononitrile
cas: 74956-19-7
formula: C23H20Cl2N5O3
inchikey: YQXRNIHTMJZVMU-UHFFFAOYSA-N
norman_susdat_id: NS00059107
pubchem_cid: 3018556
smiles: N#CCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)[N+](=O)[O-])C=C1)CCOC=3C=CC=CC3
inchi:
InChI=1/C23H19Cl2N5O3/c24-21-15-19(30(31)32)16-22(25)23(21)28-27-17-7-9-18(10-8-17)29(12-4-11-26)13-14-33-20-5-2-1-3-6-20/h1-3,5-10,15-16H,4,12-14H2


name: 5,9-dibutyl-5,9-dichloro-7-hydroxy-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide
cas: 74957-03-2
dtxsid: DTXSID30225921
formula: C16H37Cl2O4PSn2
inchikey: IFVJJBIONVTOOM-UHFFFAOYSA-J
norman_susdat_id: NS00059124
pubchem_cid: NA
smiles: O=P(O)(O[Sn](Cl)(CCCC)CCCC)O[Sn](Cl)(CCCC)CCCC
inchi:
InChI=1/4C4H9.2ClH.H3O4P.2Sn/c4*1-3-4-2;;;1-5(2,3)4;;/h4*1,3-4H2,2H3;2*1H;(H3,1,2,3,4);;/q;;;;;;;2*+2/p-4/rC16H37Cl2O4PSn2/c1-5-9-13-24(17,14-10-6-2)21-23(19,20)22-25(18,15-11-7-3)16-12-8-4/h5-16H2,1-4H3,(H,19,20)


name: 1-acetyl-3-[(2,3,4,6-tetra-O-acetyl-ß-D-glucopyranosyl)oxy]-1H-indole
cas: 7497-97-4
dtxsid: DTXSID00996474
formula: C24H27NO11
inchikey: FCZMTVYNFKUPIF-GNADVCDUSA-N
norman_susdat_id: NS00047038
pubchem_cid: 101343
smiles: O=C(OCC1OC(OC2=CN(C(=O)C)C=3C=CC=CC23)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C24H27NO11/c1-12(26)25-10-19(17-8-6-7-9-18(17)25)35-24-23(34-16(5)30)22(33-15(4)29)21(32-14(3)28)20(36-24)11-31-13(2)27/h6-10,20-24H,11H2,1-5H3


name: Cephalosporin C
cas: 74970-31-3
chemspiderid: 553597
formula: C16H21N3O8S1
inchikey: HOKIDJSKDBPKTQ-ZZNDMADYSA-N
norman_susdat_id: NS00011597
pubchem_cid: 638032
smiles: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(C(=O)O)N)SC1)C(=O)O
inchi:
InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9?,11-,14-/m1/s1


name: 5-Oxo-1-L-prolyl-L-proline
cas: 74976-69-5
chemspiderid: 21163052
dtxsid: DTXSID40225937
formula: C10H14N2O4
inchikey: RSZZIJPHQIDLTR-BQBZGAKWSA-N
norman_susdat_id: NS00037667
pubchem_cid: 44148778
smiles: OC(=O)C1CCC(=O)N1C(=O)C1CCCN1
inchi:
InChI=1S/C10H14N2O4/c13-8-4-3-7(10(15)16)12(8)9(14)6-2-1-5-11-6/h6-7,11H,1-5H2,(H,15,16)/t6-,7+/m0/s1


name: gamma-Oxopyrene-1-butyric acid
cas: 7499-60-7
chemspiderid: 74016
dtxsid: DTXSID20225950
formula: C20H14O3
inchikey: AAJQTWWVKREOQP-UHFFFAOYSA-N
norman_susdat_id: NS00037669
pubchem_cid: 82011
smiles: OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34
inchi:
InChI=1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23)


name: Quinine benzoate
cas: 750-88-9
formula: C20H24N2O2.C7H6O2
inchikey: AQHKBFWCAHXPDT-DSXUQNDKSA-N
norman_susdat_id: NS00080151
smiles: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5
inchi:
InChI=1/C20H24N2O2.C7H6O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-7(9)6-4-2-1-3-5-6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5H,(H,8,9)


name: Quinine salicylate
cas: 750-90-3
formula: C20H24N2O2.C7H6O3
inchikey: MAYUSTFJKJSJNC-DSXUQNDKSA-N
norman_susdat_id: NS00080152
smiles: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)c5ccccc5O
inchi:
InChI=1/C20H24N2O2.C7H6O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;8-6-4-2-1-3-5(6)7(9)10/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4,8H,(H,9,10)


name: 4,4'-Dimethoxytrityl cation
cas: 7500-76-7
chemspiderid: 74017
dtxsid: DTXSID00225958
formula: C21H20O2
inchikey: RIRAVPPUGSNYOU-UHFFFAOYSA-N
norman_susdat_id: NS00037675
pubchem_cid: 82012
smiles: COc1ccc(cc1)C(c1ccccc1)c1ccc(OC)cc1
inchi:
InChI=1S/C21H20O2/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18/h3-15,21H,1-2H3


name: 2-ethylhexyl 2-([1,1'-biphenyl]-4-ylcarbonyl)benzoate
cas: 75005-95-7
dtxsid: DTXSID00996510
formula: C28H30O3
inchikey: TWAOKHHZKFMFMD-UHFFFAOYSA-N
norman_susdat_id: NS00059126
pubchem_cid: 135606
smiles: O=C(OCC(CC)CCCC)C=1C=CC=CC1C(=O)C=2C=CC(=CC2)C=3C=CC=CC3
inchi:
InChI=1/C28H30O3/c1-3-5-11-21(4-2)20-31-28(30)26-15-10-9-14-25(26)27(29)24-18-16-23(17-19-24)22-12-7-6-8-13-22/h6-10,12-19,21H,3-5,11,20H2,1-2H3


name: 13-Decyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
cas: 75006-55-2
chemspiderid: 21163058
dtxsid: DTXSID50225963
formula: C20H41N1O4
inchikey: OQYMCCVEJUOMCX-UHFFFAOYSA-N
norman_susdat_id: NS00037673
pubchem_cid: 44149778
smiles: CCCCCCCCCCN1CCOCCOCCOCCOCC1
inchi:
InChI=1S/C20H41NO4/c1-2-3-4-5-6-7-8-9-10-21-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h2-20H2,1H3


name: 13-Dodecyl-1,4,7,10-tetraoxa-13-azacyclopentadecane
cas: 75006-56-3
chemspiderid: 21163059
dtxsid: DTXSID10225964
formula: C22H45N1O4
inchikey: PTQYCIMKWDCVIP-UHFFFAOYSA-N
norman_susdat_id: NS00037674
pubchem_cid: 13692128
smiles: CCCCCCCCCCCCN1CCOCCOCCOCCOCC1
inchi:
InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-15-24-17-19-26-21-22-27-20-18-25-16-14-23/h2-22H2,1H3


name: 4-[2-(methylamino)ethyl]-1,2-phenylene isobutyrate hydrochloride
cas: 75011-65-3
formula: C17H25NO4.ClH
inchikey: ALIXRWKJZYLBJI-UHFFFAOYSA-N
norman_susdat_id: NS00089642
smiles: Cl.CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1
inchi:
InChI=1/C17H25NO4.ClH/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4;/h6-7,10-12,18H,8-9H2,1-5H3;1H


name: Diclofop
cas: 75021-71-5
chebiid: CHEBI:145406
chemspiderid: 35447
dtxsid: DTXSID5041859
formula: C15H12Cl2O4
inchikey: OOLBCHYXZDXLDS-UHFFFAOYSA-N
norman_susdat_id: NS00101083
pubchem_cid: 38687
smiles: CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl
inchi:
InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)


name: 1-Propanesulfonic acid, 3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]-, sodium salt
cas: 75032-81-4
chemspiderid: NA
dtxsid: DTXSID30880978
formula: C13H12F17N1O5S2
inchikey: CHJKFUOIKDXYEH-UHFFFAOYSA-M
norman_susdat_id: NS00019232
pubchem_cid: 23704381
smiles: [Na+].CCN(CCCS([O-])(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H12F17NO5S2/c1-2-31(4-3-5-37(32,33)34)38(35,36)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2-5H2,1H3,(H,32,33,34)


name: (1H,1H,7H-perfluoroheptyl)-2-sulfohexadecanoate sodium salt
cas: 75032-94-9
dtxsid: DTXSID20893294
formula: C23H33F12NaO5S
inchikey: DPBDNYKNXXGMEK-UHFFFAOYSA-M
norman_susdat_id: NS00109647
smiles: [Na+].CCCCCCCCCCCCCCC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)S([O-])(=O)=O
inchi:
InChI=1/C23H34F12O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(41(37,38)39)17(36)40-15-19(26,27)21(30,31)23(34,35)22(32,33)20(28,29)18(24)25;/h16,18H,2-15H2,1H3,(H,37,38,39);/q;+1/p-1


name: 2-[[(Heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium iodide
cas: 75033-26-0
dtxsid: DTXSID80893295
formula: C14H16F17IN2O2S
inchikey: KHACVUCZJZAPRO-UHFFFAOYSA-M
norman_susdat_id: NS00111698
smiles: [I-].CC(C[N+](C)(C)C)NS(=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.HI/c1-6(5-33(2,3)4)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;/h6,32H,5H2,1-4H3;1H/q+1;/p-1


name: Butanamide, N,N'-(1,1'-biphenyl)-4,4'-diylbis(2,2,3,3,4,4,4-heptafluoro-
cas: 75042-07-8
dtxsid: DTXSID10226012
formula: C20H10F14N2O2
inchikey: ARASDBXKTNNGSC-UHFFFAOYSA-N
norman_susdat_id: NS00109132
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1=CC=C(C=C1)C1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C20H10F14N2O2/c21-15(22,17(25,26)19(29,30)31)13(37)35-11-5-1-9(2-6-11)10-3-7-12(8-4-10)36-14(38)16(23,24)18(27,28)20(32,33)34/h1-8H,(H,35,37)(H,36,38)


name: N-(4-(3,7-Bis(tert-butyl)-(4H)-1,2-diazepin-5-yl)phenyl)dibenzylamine
cas: 75042-16-9
chemspiderid: 31150094
dtxsid: DTXSID30226014
formula: C33H39N3
inchikey: SOLJWCBXDDWHBS-UHFFFAOYSA-N
norman_susdat_id: NS00037676
pubchem_cid: 44147823
smiles: CC(C)(C)C1=NN=C(C=C(C1)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1)C(C)(C)C
inchi:
InChI=1S/C33H39N3/c1-32(2,3)30-21-28(22-31(35-34-30)33(4,5)6)27-17-19-29(20-18-27)36(23-25-13-9-7-10-14-25)24-26-15-11-8-12-16-26/h7-21H,22-24H2,1-6H3


name: Perfluorooctanesulfonamido betaine
cas: 75046-16-1
dtxsid: DTXSID50883082
formula: C15H15F17N2O4S
inchikey: HFVPHRJCTIRZEM-UHFFFAOYSA-N
norman_susdat_id: NS00110671
smiles: C[N+](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)CC([O-])=O
inchi:
InChI=1S/C15H15F17N2O4S/c1-34(2,6-7(35)36)5-3-4-33-39(37,38)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h33H,3-6H2,1-2H3


name: 2-benzyl-5-ethyl-4-propyl-1,3-dioxane
cas: 7506-53-8
dtxsid: DTXSID10996561
formula: C16H24O2
inchikey: GCPPYECFSKKQSM-UHFFFAOYSA-N
norman_susdat_id: NS00047005
pubchem_cid: 95246
smiles: O1CC(CC)C(OC1CC=2C=CC=CC2)CCC
inchi:
InChI=1/C16H24O2/c1-3-8-15-14(4-2)12-17-16(18-15)11-13-9-6-5-7-10-13/h5-7,9-10,14-16H,3-4,8,11-12H2,1-2H3


name: 1H-Indol-3-yl N-((4-methylphenyl)sulphonyl)-L-alaninate
cas: 75062-54-3
chemspiderid: 3436896
dtxsid: DTXSID10226037
formula: C18H18N2O4S1
inchikey: CBIVSVOVPJAVRE-ZDUSSCGKSA-N
norman_susdat_id: NS00037678
pubchem_cid: 14032422
smiles: CC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1c[nH]c2ccccc12
inchi:
InChI=1S/C18H18N2O4S/c1-12-7-9-14(10-8-12)25(22,23)20-13(2)18(21)24-17-11-19-16-6-4-3-5-15(16)17/h3-11,13,19-20H,1-2H3/t13-/m0/s1


name: Bromperidol decanoate
cas: 75067-66-2
chemspiderid: 137658
dtxsid: DTXSID30226039
formula: C31H41Br1F1N1O3
inchikey: ZINCPWWBSRSXBH-UHFFFAOYSA-N
norman_susdat_id: NS00037679
pubchem_cid: 156321
smiles: CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1
inchi:
InChI=1S/C31H41BrFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3


cas: 75069-22-6
formula: C14H12N2O3S3.C6H15NO3
inchikey: SBQFVYQVMFWNBI-UHFFFAOYSA-N
norman_susdat_id: NS00089425
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)CN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC
name:
Tris(2-hydroxyethyl)ammonium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidine-3-acetate

inchi:
InChI=1/C14H12N2O3S3.C6H15NO3/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11;8-4-1-7(2-5-9)3-6-10/h3-6H,2,7H2,1H3,(H,17,18);8-10H,1-6H2


name: 3,4-bis(4-hydroxyphenyl)hexane-3,4-diol
cas: 7507-01-9
dtxsid: DTXSID30884395
formula: C18H22O4
inchikey: MOGCNGHSEICQCE-UHFFFAOYSA-N
norman_susdat_id: NS00047588
pubchem_cid: 94341
smiles: OC1=CC=C(C=C1)C(O)(CC)C(O)(C2=CC=C(O)C=C2)CC
inchi:
InChI=1/C18H22O4/c1-3-17(21,13-5-9-15(19)10-6-13)18(22,4-2)14-7-11-16(20)12-8-14/h5-12,19-22H,3-4H2,1-2H3


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide
cas: 7508-40-9
formula: C15H16N3S.Br
inchikey: KEBWDGDXFDYXRL-UHFFFAOYSA-M
norman_susdat_id: NS00082360
smiles: [Br-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
inchi:
InChI=1/C15H16N3S.BrH/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1


name: (3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienyl)triphenylphosphonium sulphate
cas: 751-83-7
chemspiderid: 4896264
dtxsid: DTXSID20890526
formula: C33H38P1
inchikey: UJUZVVSRNMBGRO-LVLPOLCMSA-N
norman_susdat_id: NS00004833
pubchem_cid: 6365508
smiles: CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C=CC1=C(C)CCCC1(C)C
inchi:
InChI=1S/C33H38P/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31/h5-13,16-24H,14-15,25-26H2,1-4H3/q+1/b23-22+,27-24-


name: Fusidate sodium
cas: 751-94-0
dtxsid: DTXSID9045552
formula: C31H47NaO6
inchikey: HJHVQCXHVMGZNC-JCJNLNMISA-M
norman_susdat_id: NS00076462
inchi:
InChI=1S/C31H48O6.Na/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);/q;+1/p-1/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1

smiles:
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O


name: Rolitetracycline
cas: 751-97-3
chemspiderid: 4445374
dtxsid: DTXSID7023568
formula: C27H33N3O8
inchikey: HMEYVGGHISAPJR-VQCPGFMQSA-N
norman_susdat_id: NS00037688
pubchem_cid: NA
inchi:
InChI=1S/C27H33N3O8/c1-26(37)13-7-6-8-16(31)17(13)21(32)18-14(26)11-15-20(29(2)3)22(33)19(24(35)27(15,38)23(18)34)25(36)28-12-30-9-4-5-10-30/h6-8,14-15,20,28,31-32,36-38H,4-5,9-12H2,1-3H3/b25-19-/t14-,15+,20+,26-,27+/m0/s1

smiles:
O[N+](=O)[O-].CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)c4c(cccc4O)[C@@]3(C)O)C(=O)[C@]2(O)C(=O)/C(=C(O)/NCN2CCCC2)/C1=O


name: N6-carboxy-L-lysine, compound with L-lysine (1:1)
cas: 75107-56-1
dtxsid: DTXSID70226078
formula: C7H14N2O4
inchikey: RLCOYKKYOGTXPA-ZLELNMGESA-N
norman_susdat_id: NS00058626
pubchem_cid: 44147010
smiles: O=C(O)NCCCCC(N)C(=O)O.O=C(O)C(N)CCCCN
inchi:
InChI=1/C7H14N2O4.C6H14N2O2/c8-5(6(10)11)3-1-2-4-9-7(12)13;7-4-2-1-3-5(8)6(9)10/h5,9H,1-4,8H2,(H,10,11)(H,12,13);5H,1-4,7-8H2,(H,9,10)


name: 1,2,3-Trihydroxy-1,2,3,4-Tetrahydrobenzo[a]pyrene
cas: 75110-15-5
dtxsid: DTXSID30992308
formula: C20H16O3
inchikey: GFANZDFKCCJYRF-NSISKUIASA-N
norman_susdat_id: NS00068784
pubchem_cid: 5287739
smiles: O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1


name: 6-[(2-ethyl-1-oxohexyl)amino]hexanoic acid
cas: 75113-47-2
dtxsid: DTXSID60888462
formula: C14H27NO3
inchikey: GRPDJDFTHPKLAT-UHFFFAOYSA-N
norman_susdat_id: NS00060034
pubchem_cid: 173331
smiles: O=C(O)CCCCCNC(=O)C(CC)CCCC
inchi:
InChI=1/C14H27NO3/c1-3-5-9-12(4-2)14(18)15-11-8-6-7-10-13(16)17/h12H,3-11H2,1-2H3,(H,15,18)(H,16,17)


name: 1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[(p-tolyl)azo]nicotinonitrile
cas: 75113-55-2
dtxsid: DTXSID00888466
formula: C14H12N4O2
inchikey: GQTIFDAKWBGUAT-UHFFFAOYSA-N
norman_susdat_id: NS00059143
pubchem_cid: 166447
smiles: N#CC=1C(=O)NC(O)=C(N=NC2=CC=C(C=C2)C)C1C
inchi:
InChI=1/C14H12N4O2/c1-8-3-5-10(6-4-8)17-18-12-9(2)11(7-15)13(19)16-14(12)20/h3-6H,1-2H3,(H2,16,19,20)


name: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxo-
cas: 75125-55-2
chemspiderid: 7852132
dtxsid: DTXSID5072800
formula: C14H11N5O5
inchikey: RIECVLDMNHKXER-UHFFFAOYSA-N
norman_susdat_id: NS00037682
pubchem_cid: NA
smiles: COc1cc(c(N/N=C2/C(=O)NC(=O)C(=C2C)C#N)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C14H11N5O5/c1-7-9(6-15)13(20)16-14(21)12(7)18-17-10-4-3-8(24-2)5-11(10)19(22)23/h3-5,17H,1-2H3,(H,16,20,21)/b18-12+


name: Butanamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 75125-56-3
chemspiderid: 145688
dtxsid: DTXSID0072801
formula: C22H23N7O3
inchikey: IYVJKFRNPLTKPN-UHFFFAOYSA-N
norman_susdat_id: NS00020882
pubchem_cid: 166448
smiles: CCCC(=O)Nc1cc(ccc1N=Nc1c(cc(cc1C#N)[N+](=O)[O-])C#N)N(CC)CC
inchi:
InChI=1S/C22H23N7O3/c1-4-7-21(30)25-20-12-17(28(5-2)6-3)8-9-19(20)26-27-22-15(13-23)10-18(29(31)32)11-16(22)14-24/h8-12H,4-7H2,1-3H3,(H,25,30)/b27-26+


name: Diacetylacyclovir
cas: 75128-73-3
chemspiderid: 567612
dtxsid: DTXSID40226085
formula: C12H15N5O5
inchikey: VBHLKZHSCMQLTI-UHFFFAOYSA-N
norman_susdat_id: NS00006224
pubchem_cid: 653052
smiles: CC(=O)Nc1nc(=O)c2ncn(COCCOC(C)=O)c2[nH]1
inchi:
InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)


name: tetronasin
cas: 75139-06-9
chemspiderid: 16736060
formula: C35H54O8
inchikey: BJUFZCRLMQPLMO-RHKPWOOXSA-N
norman_susdat_id: NS00011788
pubchem_cid: NA
inchi:
InChI=1S/C35H54O8/c1-19-9-8-10-25(30(19)23(5)32(38)31-28(37)18-41-35(31)39)16-26(17-36)34-21(3)12-14-27(42-34)13-11-20(2)33-22(4)15-29(43-33)24(6)40-7/h11,13,16,19-25,27,29-30,33-34,36-37H,8-10,12,14-15,17-18H2,1-7H3/b13-11+,26-16+/t19-,20+,21-,22+,23+,24+,25-,27-,29-,30-,33+,34-/m1/s1

smiles:
C[C@@H]1CCC[C@@H]([C@H]1[C@H](C)C(=O)C2=C(COC2=O)O)/C=C(CO)/[C@H]3[C@@H](CC[C@H](O3)/C=C/[C@H](C)[C@H]4[C@H](C[C@@H](O4)[C@H](C)OC)C)C


name: N4-acetyl-5-hydroxysulfamethoxazole
cas: 75144-40-0
chemspiderid: 8511070
formula: C12H13N3O5S1
inchikey: YKWZTWOYFWCVKH-UHFFFAOYSA-N
norman_susdat_id: NS00005322
pubchem_cid: 10335611
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(CO)on1
inchi:
InChI=1S/C12H13N3O5S/c1-8(17)13-9-2-4-11(5-3-9)21(18,19)15-12-6-10(7-16)20-14-12/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15)


name: Acetamide, N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-cyanoethyl)-2-propenylamino]phenyl]-
cas: 75150-11-7
chemspiderid: 145691
dtxsid: DTXSID5072804
formula: C20H19Cl1N6O3
inchikey: DYIMGKAFJUUZKC-UHFFFAOYSA-N
norman_susdat_id: NS00037683
pubchem_cid: 166451
smiles: CC(=O)Nc1cc(ccc1N=Nc1ccc(cc1Cl)[N+](=O)[O-])N(CCC#N)CC=C
inchi:
InChI=1S/C20H19ClN6O3/c1-3-10-26(11-4-9-22)15-5-8-19(20(13-15)23-14(2)28)25-24-18-7-6-16(27(29)30)12-17(18)21/h3,5-8,12-13H,1,4,10-11H2,2H3,(H,23,28)/b25-24+


name: Tridecyl oleate
cas: 75164-73-7
formula: C31H60O2
inchikey: ORLIFRJRAMADMX-MSUUIHNZSA-N
norman_susdat_id: NS00059192
pubchem_cid: 6432922
smiles: O=C(OCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C31H60O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h16-17H,3-15,18-30H2,1-2H3


name: 1,9-dihydro-9-[1-(1-hydroxyethyl)heptyl]-6H-purin-6-one
cas: 75166-67-5
dtxsid: DTXSID20996638
formula: C14H22N4O2
inchikey: RSMDQPNZAPMDJC-UHFFFAOYSA-N
norman_susdat_id: NS00059158
pubchem_cid: NA
smiles: O=C1NC=NC2=C1N=CN2C(CCCCCC)C(O)C
inchi:
InChI=1/C14H22N4O2/c1-3-4-5-6-7-11(10(2)19)18-9-17-12-13(18)15-8-16-14(12)20/h8-11,19H,3-7H2,1-2H3,(H,15,16,20)


name: Monocyclohexyl phthalate
cas: 7517-36-4
chebiid: CHEBI:132609
dtxsid: DTXSID3052729
formula: C14H16O4
inchikey: PMDKYLLIOLFQPO-UHFFFAOYSA-N
norman_susdat_id: NS00077012
smiles: OC(=O)C1=C(C=CC=C1)C(=O)OC1CCCCC1
inchi:
InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)


name: Zofenopril
cas: 75176-37-3
chebiid: CHEBI:78539
chemspiderid: 83422
dtxsid: DTXSID0046640
formula: C22H23NO4S2
inchikey: IAIDUHCBNLFXEF-MNEFBYGVSA-N
norman_susdat_id: NS00068022
pubchem_cid: 92400
smiles: C[C@H](CSC(=O)c1ccccc1)C(=O)N2C[C@H](C[C@H]2C(=O)O)Sc3ccccc3
inchi:
InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1


name: 4-Epianhydrotetracycline
cas: 7518-17-4
chemspiderid: 21489601
dtxsid: DTXSID00873791
formula: C22H22N2O7
inchikey: CXCVEERYMJZMMM-WPINSWFRSA-N
norman_susdat_id: NS00011898
pubchem_cid: NA
smiles: Cc1c2cccc(c2c(c3c1C[C@H]4[C@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O
inchi:
InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16+,22-/m0/s1


name: Albendazole sulfone
cas: 75184-71-3
chebiid: CHEBI:80620
chemspiderid: 48031
dtxsid: DTXSID00226167
formula: C12H15N3O4S1
inchikey: CLSJYOLYMZNKJB-UHFFFAOYSA-N
norman_susdat_id: NS00009677
pubchem_cid: 53174
smiles: CCCS(=O)(=O)c1ccc2nc(N=C(O)OC)[nH]c2c1
inchi:
InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)


name: Dipotassium N-(1-methyl-3-oxobut-1-enyl)-L-aspartate
cas: 75186-21-9
formula: C9H13NO5
inchikey: VLAYHDQEMOHJEF-KLXURFKVSA-L
norman_susdat_id: NS00058655
pubchem_cid: 57353402
smiles: [K+].[K+].O=C([O-])CC(NC(=CC(=O)C)C)C(=O)[O-]
inchi:
InChI=1/C9H13NO5.2K/c1-5(3-6(2)11)10-7(9(14)15)4-8(12)13;;/h3,7,10H,4H2,1-2H3,(H,12,13)(H,14,15);;/q;2*+1/p-2


cas: 75198-92-4
dtxsid: DTXSID50890271
formula: C28H25ClN6O10S2
inchikey: PICWZTBMIQPVRH-UHFFFAOYSA-L
norman_susdat_id: NS00059161
pubchem_cid: 166452
name:
Disodium 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-6-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C28H25ClN6O10S2.2Na/c1-13-9-14(12-31-27-33-26(29)34-28(35-27)45-8-7-44-2)23(19(10-13)47(41,42)43)32-17-11-18(46(38,39)40)22(30)21-20(17)24(36)15-5-3-4-6-16(15)25(21)37;;/h3-6,9-11,32H,7-8,12,30H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,31,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C(=CC(=CC4S(=O)(=O)[O-])C)CNC=5N=C(Cl)N=C(N5)OCCOC


name: Sodium 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate
cas: 75198-93-5
dtxsid: DTXSID00888209
formula: C19H15F3N4O5S
inchikey: CGUIEABQHWOFCD-UHFFFAOYSA-M
norman_susdat_id: NS00060080
pubchem_cid: 110616
smiles: [Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)C(F)(F)F)C
inchi:
InChI=1/C19H15F3N4O5S.Na/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18;/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31);/q;+1/p-1


name: 1,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-methyl-
cas: 75198-96-8
chemspiderid: 145694
dtxsid: DTXSID5072806
formula: C20H21N5
inchikey: JZTRIZGUGUEXRN-UHFFFAOYSA-N
norman_susdat_id: NS00037689
pubchem_cid: 166455
smiles: CCN(CC)c1ccc(N=Nc2c(cc(C)cc2C#N)C#N)c(C)c1
inchi:
InChI=1S/C20H21N5/c1-5-25(6-2)18-7-8-19(15(4)11-18)23-24-20-16(12-21)9-14(3)10-17(20)13-22/h7-11H,5-6H2,1-4H3/b24-23+


cas: 75198-99-1
formula: C37H32N6O15S4
inchikey: CXSAZILGSUDMSC-UHFFFAOYSA-L
norman_susdat_id: NS00060081
pubchem_cid: NA
name:
Lithium sodium 7-[[4-[[[[4-[(4,8-disulpho-2-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C37H32N6O15S4.Li.Na/c1-19-10-30(32(57-3)17-28(19)42-40-22-9-8-21-12-24(59(45,46)47)16-36(26(21)13-22)62(54,55)56)38-37(44)39-31-11-20(2)29(18-33(31)58-4)43-41-23-14-27-25(35(15-23)61(51,52)53)6-5-7-34(27)60(48,49)50;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2

smiles:
[Li+].[Na+].O=C(NC1=CC(=C(N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1OC)C)NC4=CC(=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)O)=C(C5)S(=O)(=O)O)C=C4OC)C


cas: 75199-00-7
dtxsid: DTXSID10890272
formula: C25H15Cl2N7O10S2
inchikey: RJGNVZNQMMHZLS-UHFFFAOYSA-K
norman_susdat_id: NS00059207
pubchem_cid: 166457
name:
Trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C25H15Cl2N7O10S2.3Na/c26-21-22(27)30-17-9-11(1-7-15(17)29-21)23(35)28-12-2-8-16(18(10-12)46(42,43)44)31-32-19-20(25(37)38)33-34(24(19)36)13-3-5-14(6-4-13)45(39,40)41;;;/h1-10,19H,(H,28,35)(H,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)[O-])NC(=O)C=3C=CC4=NC(Cl)=C(Cl)N=C4C3)C5=CC=C(C=C5)S(=O)(=O)[O-]


name: 12-oxo-N-phenyl-12H-phthaloperinesulphonamide
cas: 75199-11-0
dtxsid: DTXSID90996660
formula: C24H15N3O3S
inchikey: BTXGRKKCSCHUPX-UHFFFAOYSA-N
norman_susdat_id: NS00060082
pubchem_cid: 92030346
smiles: O=C1C=2C=CC=CC2C3=NC4=CC=CC=5C=CC(=C(C45)N13)S(=O)(=O)NC=6C=CC=CC6
inchi:
InChI=1/C24H15N3O3S/c28-24-18-11-5-4-10-17(18)23-25-19-12-6-7-15-13-14-20(22(21(15)19)27(23)24)31(29,30)26-16-8-2-1-3-9-16/h1-14,26H


name: Benzyl 4-[(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl)azo]benzoate
cas: 75199-13-2
dtxsid: DTXSID90888213
formula: C25H24N4O4
inchikey: NLBJUKCCXSUWHO-UHFFFAOYSA-N
norman_susdat_id: NS00060083
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)OCC=3C=CC=CC3)C1C)CCCC
inchi:
InChI=1/C25H24N4O4/c1-3-4-14-29-23(30)21(15-26)17(2)22(24(29)31)28-27-20-12-10-19(11-13-20)25(32)33-16-18-8-6-5-7-9-18/h5-13,31H,3-4,14,16H2,1-2H3


cas: 75199-17-6
dtxsid: DTXSID10890353
formula: C43H36Cl2N18O21S6
inchikey: HEVSJAAQDPFOEQ-UHFFFAOYSA-H
norman_susdat_id: NS00059173
pubchem_cid: 173368
name:
Hexasodium 7,7'-[(2-hydroxypropane-1,3-diyl)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bisnaphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C43H36Cl2N18O21S6.6Na/c44-36-54-40(58-42(56-36)50-19-1-3-26(28(9-19)52-38(46)65)60-62-30-13-24-17(7-34(30)89(79,80)81)5-22(85(67,68)69)11-32(24)87(73,74)75)48-15-21(64)16-49-41-55-37(45)57-43(59-41)51-20-2-4-27(29(10-20)53-39(47)66)61-63-31-14-25-18(8-35(31)90(82,83)84)6-23(86(70,71)72)12-33(25)88(76,77)78;;;;;;/h1-14,21,64H,15-16H2,(H3,46,52,65)(H3,47,53,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H2,48,50,54,56,58)(H2,49,51,55,57,59);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)NCC(O)CNC=5N=C(Cl)N=C(N5)NC6=CC=C(N=NC=7C=C8C(C=C(C=C8S(=O)(=O)[O-])S(=O)(=O)[O-])=CC7S(=O)(=O)[O-])C(=C6)NC(=O)N


cas: 75199-18-7
dtxsid: DTXSID9072810
formula: C26H18ClF2N9O12S4
inchikey: WAADIRALQLGNHV-UHFFFAOYSA-K
norman_susdat_id: NS00060105
pubchem_cid: 135666582
name:
2,7-Naphthalenedisulfonic acid, 4-amino-3-[[4-(aminosulfonyl)phenyl]azo]-6-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-5-hydroxy-, trisodium salt

inchi:
InChI=1/C26H18ClF2N9O12S4.3Na/c27-19-24(28)33-26(29)34-25(19)32-12-3-6-15(52(42,43)44)14(9-12)36-38-22-17(54(48,49)50)8-10-7-16(53(45,46)47)21(20(30)18(10)23(22)39)37-35-11-1-4-13(5-2-11)51(31,40)41;;;/h1-9,39H,30H2,(H2,31,40,41)(H,32,33,34)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4)S(=O)(=O)N)C3N)S(=O)(=O)[O-])NC=5N=C(F)N=C(F)C5Cl


cas: 75199-19-8
dtxsid: DTXSID90888470
formula: C22H27BrN6O9
inchikey: ZWJGCRVWLUKGGM-UHFFFAOYSA-N
norman_susdat_id: NS00058656
pubchem_cid: 173369
smiles: O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OCC)CCO)C
name:
2-[[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl](2-hydroxyethyl)amino]ethyl acetate

inchi:
InChI=1/C22H25BrN6O9/c1-4-37-21-12-18(25-26-22-16(23)9-15(28(33)34)10-20(22)29(35)36)17(24-13(2)31)11-19(21)27(5-7-30)6-8-38-14(3)32/h9-12,30H,4-8H2,1-3H3,(H,24,31)


cas: 75199-20-1
dtxsid: DTXSID50888471
formula: C24H21N6O2
inchikey: YFDDDHSGJRONOY-UHFFFAOYSA-N
norman_susdat_id: NS00059174
pubchem_cid: NA
smiles: [Cl-].[Cl-].O=C1C(=C(C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)=C(O)[NH2+]1)C)[N+]=4C=CC=C(C4)C
name:
1',2'-dihydro-6'-hydroxy-3,4'-dimethyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium chloride

inchi:
InChI=1/C24H20N6O2.2ClH/c1-16-7-6-14-30(15-16)22-17(2)21(23(31)25-24(22)32)29-28-20-12-10-19(11-13-20)27-26-18-8-4-3-5-9-18;;/h3-15H,1-2H3,(H-,25,26,28,31,32);2*1H


cas: 75199-22-3
dtxsid: DTXSID40891090
formula: C32H72N3O6
inchikey: WZWXGOKEZHRHLI-UHFFFAOYSA-H
norman_susdat_id: NS00058734
pubchem_cid: 90475866
name:
1,13-dihydroxy-3,7,11-tris(2-hydroxyethyl)-3,7,11-trimethyl-15-oxa-3,7,11-triazoniaheptacosane trisulphate

inchi:
InChI=1/2C32H72N3O6.3H2O4S/c2*1-5-6-7-8-9-10-11-12-13-14-29-41-31-32(40)30-35(4,24-28-39)20-16-18-33(2,21-25-36)17-15-19-34(3,22-26-37)23-27-38;3*1-5(2,3)4/h2*32,36-40H,5-31H2,1-4H3;3*(H2,1,2,3,4)/q2*+3;;;/p-6

smiles:
O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].OCC[N+](C)(CCO)CCC[N+](C)(CCO)CCC[N+](C)(CCO)CC(O)COCCCCCCCCCCCC


name: RIBOFLAVIN TETRAACE- TATE
cas: 752-13-6
chemspiderid: 85000
formula: C25H28N4O10
inchikey: VKVDYPHLGLIXAG-UHFFFAOYSA-N
norman_susdat_id: NS00014038
pubchem_cid: 94186
smiles: CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(CN1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13)OC(C)=O
inchi:
InChI=1S/C25H28N4O10/c1-11-7-17-18(8-12(11)2)29(23-21(26-17)24(34)28-25(35)27-23)9-19(37-14(4)31)22(39-16(6)33)20(38-15(5)32)10-36-13(3)30/h7-8,19-20,22H,9-10H2,1-6H3,(H,28,34,35)


name: Riboflavin tetrabutyrate
cas: 752-56-7
chebiid: CHEBI:32097
chemspiderid: 4889
dtxsid: DTXSID6046892
formula: C33H44N4O10
inchikey: MJNIWUJSIGSWKK-BBANNHEPSA-N
norman_susdat_id: NS00022758
pubchem_cid: 92140
inchi:
InChI=1S/C33H44N4O10/c1-7-11-25(38)44-18-24(46-27(40)13-9-3)30(47-28(41)14-10-4)23(45-26(39)12-8-2)17-37-22-16-20(6)19(5)15-21(22)34-29-31(37)35-33(43)36-32(29)42/h15-16,23-24,30H,7-14,17-18H2,1-6H3,(H,36,42,43)/t23-,24+,30-/m0/s1

smiles:
CCCC(=O)OC[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](Cn1c2c(cc(C)c(C)c2)nc2c(=O)[nH]c(=O)nc12)OC(=O)CCC


name: 4,4',4''-(Nitrilotris(methylene))tris(2,6-bis(1,1-dimethylethyl)phenol)
cas: 752-60-3
chemspiderid: 62983
dtxsid: DTXSID50226177
formula: C45H69N1O3
inchikey: BOQNWBDBDUWBMT-UHFFFAOYSA-N
norman_susdat_id: NS00037694
pubchem_cid: 5173048
smiles: CC(C)(C)c1cc(CN(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C45H69NO3/c1-40(2,3)31-19-28(20-32(37(31)47)41(4,5)6)25-46(26-29-21-33(42(7,8)9)38(48)34(22-29)43(10,11)12)27-30-23-35(44(13,14)15)39(49)36(24-30)45(16,17)18/h19-24,47-49H,25-27H2,1-18H3


name: Digitalin
cas: 752-61-4
chebiid: CHEBI:28143
formula: C36H56O14
inchikey: CKNOLMVLQUPVMU-YMMLYESFSA-N
norman_susdat_id: NS00042574
pubchem_cid: 441856
smiles: O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(OC)C6O)CCC5(C)C4CCC23C
inchi:
InChI=1/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3


cas: 75202-23-2
dtxsid: DTXSID70996663
formula: C34H36Cl4N4O4
inchikey: KSNIHZDEEVGMEJ-UHFFFAOYSA-N
norman_susdat_id: NS00060152
pubchem_cid: NA
smiles: O=C(OC(C)COC1=CC=C(C=C1C2CCCC2)C(C)(C)C)NC3=CC=C(Cl)C(=C3)NC4=NN(C(=O)C4)C=5C(Cl)=CC(Cl)=CC5Cl
name:
2-[4-(tert-butyl)-2-cyclopentylphenoxy]-1-methylethyl [4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate

inchi:
InChI=1/C34H36Cl4N4O4/c1-19(18-45-29-12-9-21(34(2,3)4)13-24(29)20-7-5-6-8-20)46-33(44)39-23-10-11-25(36)28(16-23)40-30-17-31(43)42(41-30)32-26(37)14-22(35)15-27(32)38/h9-16,19-20H,5-8,17-18H2,1-4H3,(H,39,44)(H,40,41)


name: 2-(4-chloro-2-tetradecylphenoxy)-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)acetamide
cas: 75202-24-3
dtxsid: DTXSID30996664
formula: C29H40Cl3NO3
inchikey: MZNYXIHEQCYBRR-UHFFFAOYSA-N
norman_susdat_id: NS00059737
pubchem_cid: 3018574
smiles: O=C(NC1=CC(Cl)=C(C(Cl)=C1O)C)COC2=CC=C(Cl)C=C2CCCCCCCCCCCCCC
inchi:
InChI=1/C29H40Cl3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-18-23(30)16-17-26(22)36-20-27(34)33-25-19-24(31)21(2)28(32)29(25)35/h16-19,35H,3-15,20H2,1-2H3,(H,33,34)


name: Bis[2,3,5-trichloro-6-[(pentyloxy)carbonyl]phenyl] oxalate
cas: 75203-51-9
dtxsid: DTXSID00868349
formula: C26H24Cl6O8
inchikey: PURKHUDOTFUVNG-UHFFFAOYSA-N
norman_susdat_id: NS00060770
pubchem_cid: 3018575
smiles: O=C(OC=1C(Cl)=C(Cl)C=C(Cl)C1C(=O)OCCCCC)C(=O)OC=2C(Cl)=C(Cl)C=C(Cl)C2C(=O)OCCCCC
inchi:
InChI=1/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-13(27)11-15(29)19(31)21(17)39-25(35)26(36)40-22-18(14(28)12-16(30)20(22)32)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3


name: Taprenepag
cas: 752187-80-7
dtxsid: DTXSID00226187
formula: C24H22N4O5S
inchikey: MFFBXYNKZHTCEY-UHFFFAOYSA-N
norman_susdat_id: NS00072952
pubchem_cid: 18376177
smiles: O=C(O)COc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1
inchi:
InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)


name: Cvt-6883
cas: 752222-83-6
formula: C21H21F3N6O2
inchikey: KOYXXLLNCXWUNF-UHFFFAOYSA-N
norman_susdat_id: NS00071875
pubchem_cid: 11270783
smiles: CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(CC)c1=O
inchi:
InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)


name: Acetic acid, (4-(2,4-dimethoxybenzoyl)phenoxy)-
cas: 75226-98-1
chemspiderid: 48041
dtxsid: DTXSID90226196
formula: C17H16O6
inchikey: STNUKZNYDPNBNJ-UHFFFAOYSA-N
norman_susdat_id: NS00037693
pubchem_cid: 53184
smiles: COc1cc(OC)c(cc1)C(=O)c1ccc(OCC(=O)O)cc1
inchi:
InChI=1S/C17H16O6/c1-21-13-7-8-14(15(9-13)22-2)17(20)11-3-5-12(6-4-11)23-10-16(18)19/h3-9H,10H2,1-2H3,(H,18,19)


name: 4-Methylbenzyl hydroperoxide
cas: 7523-31-1
chemspiderid: 4494114
dtxsid: DTXSID90226217
formula: C20H14N6O6S1
inchikey: KBAQMIYTOZVRBC-HZHRSRAPSA-N
norman_susdat_id: NS00003263
pubchem_cid: 5336994
smiles: CCOC(=O)C(=NNc1ccc(cc1)[N+]([O-])=O)C(=O)c1nn2c(nc(=O)c3ccccc23)s1
inchi:
InChI=1S/C20H14N6O6S/c1-2-32-19(29)15(23-22-11-7-9-12(10-8-11)26(30)31)16(27)18-24-25-14-6-4-3-5-13(14)17(28)21-20(25)33-18/h3-10,22H,2H2,1H3/b23-15+


name: N-ethylcarbazole-3-carbaldehyde (phenylmethylhydrazone)
cas: 75232-44-9
formula: C22H21N3
inchikey: SXMRCYPHDKXNFR-UHFFFAOYSA-N
norman_susdat_id: NS00059725
pubchem_cid: 57353415
smiles: N(=CC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)NCC=4C=CC=CC4
inchi:
InChI=1/C22H21N3/c1-2-25-21-11-7-6-10-19(21)20-14-18(12-13-22(20)25)16-24-23-15-17-8-4-3-5-9-17/h3-14,16,23H,2,15H2,1H3


name: N-ethylcarbazole-3-carbaldehyde benzylphenylhydrazone
cas: 75238-79-8
formula: C28H25N3
inchikey: RPHJRJPXKZMFFQ-UHFFFAOYSA-N
norman_susdat_id: NS00059813
pubchem_cid: 44630287
smiles: N(=CC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)N(C=4C=CC=CC4)CC=5C=CC=CC5
inchi:
InChI=1/C28H25N3/c1-2-30-27-16-10-9-15-25(27)26-19-23(17-18-28(26)30)20-29-31(24-13-7-4-8-14-24)21-22-11-5-3-6-12-22/h3-20H,2,21H2,1H3


name: Sodium bis(2-butoxyethyl) phosphate
cas: 75239-49-5
formula: C12H27O6P.Na
inchikey: LIEWOUJIFLCDKO-UHFFFAOYSA-M
norman_susdat_id: NS00090470
smiles: [Na+].CCCCOCCOP(=O)([O-])OCCOCCCC
inchi:
InChI=1/C12H27O6P.Na/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2;/h3-12H2,1-2H3,(H,13,14);/q;+1/p-1


cas: 75247-19-7
dtxsid: DTXSID90996721
formula: C36H40ClN3O6S
inchikey: KFUYAODWRVDHGU-UHFFFAOYSA-M
norman_susdat_id: NS00059726
pubchem_cid: NA
smiles: [K+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4CCCCC4)C13)NC5CCCCC5CC6=CC=CC(=C6CNC(=O)CCl)S(=O)(=O)[O-]
name:
Potassium [[chloroacetamido]methyl][[2-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]cyclohexyl]methyl]benzenesulphonate

inchi:
InChI=1/C36H40ClN3O6S.K/c37-20-32(41)38-21-27-22(10-8-16-31(27)47(44,45)46)19-23-9-4-7-15-28(23)40-30-18-17-29(39-24-11-2-1-3-12-24)33-34(30)36(43)26-14-6-5-13-25(26)35(33)42;/h5-6,8,10,13-14,16-18,23-24,28,39-40H,1-4,7,9,11-12,15,19-21H2,(H,38,41)(H,44,45,46);/q;+1/p-1


name: Phosphinic acid, dibutyl-, 4-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester
cas: 7526-47-8
dtxsid: DTXSID70226230
formula: C18H24F7O2P
inchikey: UKLAQVBZLGYWDP-UHFFFAOYSA-N
norman_susdat_id: NS00111206
smiles: CCCCP(=O)(CCCC)OC1=CC=C(CC(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C18H24F7O2P/c1-3-5-11-28(26,12-6-4-2)27-15-9-7-14(8-10-15)13-16(19,20)17(21,22)18(23,24)25/h7-10H,3-6,11-13H2,1-2H3


name: Potassium [(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)amino]acetate
cas: 75260-69-4
dtxsid: DTXSID50896657
formula: C10H3F17KNO4S
inchikey: GSTHMLBOONSKMA-UHFFFAOYSA-M
norman_susdat_id: NS00110814
smiles: [K+].[O-]C(=O)CNS(=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/C10H4F17NO4S.K/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30;/h28H,1H2,(H,29,30);/q;+1/p-1


cas: 75268-65-4
formula: C24H21ClFN9O9S2
inchikey: PNWNICPUDRQZQK-UHFFFAOYSA-L
norman_susdat_id: NS00059814
pubchem_cid: NA
name:
Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-[(2-chloro-5-sulphonatophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulphonate

inchi:
InChI=1/C24H21ClFN9O9S2.2Na/c1-3-35-20(37)17(19(27)36)10(2)18(21(35)38)34-33-15-8-11(4-7-16(15)46(42,43)44)28-23-30-22(26)31-24(32-23)29-14-9-12(45(39,40)41)5-6-13(14)25;;/h4-9,38H,3H2,1-2H3,(H2,27,36)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(F)=NC(=N3)NC4=CC(=CC=C4Cl)S(=O)(=O)[O-])C1C)CC


cas: 75268-66-5
formula: C28H24FN9O9S2
inchikey: QRRMNYQOUJLDBL-UHFFFAOYSA-L
norman_susdat_id: NS00059815
pubchem_cid: NA
name:
Disodium 6-[[4-[[3-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-sulphonatophenyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C28H24FN9O9S2.2Na/c1-3-38-24(40)21(23(30)39)13(2)22(25(38)41)37-36-19-12-17(7-9-20(19)49(45,46)47)32-28-34-26(29)33-27(35-28)31-16-6-4-15-11-18(48(42,43)44)8-5-14(15)10-16;;/h4-12,41H,3H2,1-2H3,(H2,30,39)(H,42,43,44)(H,45,46,47)(H2,31,32,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(F)=NC(=N3)NC=4C=CC5=CC(=CC=C5C4)S(=O)(=O)[O-])C1C)CC


cas: 75268-67-6
dtxsid: DTXSID70890354
formula: C35H31ClN6O8S2
inchikey: SJPWTQZDRKAGOG-UHFFFAOYSA-L
norman_susdat_id: NS00059816
pubchem_cid: NA
name:
Disodium 8-[[5-(benzoylamino)-2-sulphonatophenyl]azo]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-pentyl-1H-naphth[1,2-d]imidazole-7-sulphonate

inchi:
InChI=1/C35H31ClN6O8S2.2Na/c1-2-3-5-14-30-38-26-17-15-22-19-29(52(48,49)50)32(34(43)31(22)33(26)42(30)41-25-13-9-8-12-24(25)36)40-39-27-20-23(16-18-28(27)51(45,46)47)37-35(44)21-10-6-4-7-11-21;;/h4,6-13,15-20,41,43H,2-3,5,14H2,1H3,(H,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C(N=NC=2C(O)=C3C(C=CC=4N=C(N(NC=5C=CC=CC5Cl)C43)CCCCC)=CC2S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C=6C=CC=CC6


cas: 75268-68-7
dtxsid: DTXSID30888474
formula: C22H16ClN3O6S
inchikey: YWTKOICHRYFLKQ-UHFFFAOYSA-M
norman_susdat_id: NS00060828
pubchem_cid: 173392
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C=CC=C(C4)NC(=O)CCl)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-4-[[3-[(chloroacetyl)amino]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H16ClN3O6S.Na/c23-10-17(27)26-12-5-3-4-11(8-12)25-15-9-16(33(30,31)32)20(24)19-18(15)21(28)13-6-1-2-7-14(13)22(19)29;/h1-9,25H,10,24H2,(H,26,27)(H,30,31,32);/q;+1/p-1


cas: 75268-69-8
dtxsid: DTXSID30890355
formula: C37H32N6O21S6
inchikey: GXPHIYDSBYLRLK-UHFFFAOYSA-H
norman_susdat_id: NS00059727
pubchem_cid: NA
name:
Hexasodium 8,8'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bisnaphthalene-2,3,6-trisulphonate

inchi:
InChI=1/C37H32N6O21S6.6Na/c1-17-5-29(31(63-3)15-25(17)40-42-27-11-21(65(45,46)47)7-19-9-33(67(51,52)53)35(13-23(19)27)69(57,58)59)38-37(44)39-30-6-18(2)26(16-32(30)64-4)41-43-28-12-22(66(48,49)50)8-20-10-34(68(54,55)56)36(14-24(20)28)70(60,61)62;;;;;;/h5-16H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=C(N=NC=2C=C(C=C3C=C(C(=CC23)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1OC)C)NC4=CC(=C(N=NC=5C=C(C=C6C=C(C(=CC56)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4OC)C


cas: 75268-71-2
formula: C51H40N12O18S4
inchikey: MQWSONOCLFNIKR-UHFFFAOYSA-I
norman_susdat_id: NS00059253
pubchem_cid: NA
name:
Benzoic acid, 2-hydroxy-5-[[4-[[4-[[8-hydroxy-7-[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]azo]-3,6-disulfo-1-naphthalenyl]amino]-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt

inchi:
InChI=1/C51H40N12O18S4.5Na/c1-25-15-37(42(81-3)24-36(25)59-61-39-22-33(83(72,73)74)16-26-17-34(84(75,76)77)23-41(65)44(26)39)60-62-46-43(85(78,79)80)19-27-18-32(82(69,70)71)21-38(45(27)47(46)66)53-50-54-49(55-51(56-50)63(2)31-7-5-4-6-8-31)52-28-9-11-29(12-10-28)57-58-30-13-14-40(64)35(20-30)48(67)68;;;;;/h4-24,64-66H,1-3H3,(H,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,52,53,54,55,56);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC=3N=C(N=C(N3)N(C=4C=CC=CC4)C)NC5=CC(=CC6=CC(=C(N=NC7=CC(=C(N=NC=8C=C(C=C9C=C(C=C(O)C89)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C7OC)C)C(O)=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])=CC=C1O


cas: 75268-73-4
dtxsid: DTXSID50890357
formula: C36H29N7O12S
inchikey: QWMPIFXPNIHCQH-UHFFFAOYSA-K
norman_susdat_id: NS00059817
pubchem_cid: NA
name:
Trisodium 5-[[4-[[3-[[[[4-[(3-carboxylato-4-hydroxyphenyl)azo]phenyl]amino]carbonyl]amino]benzoyl]amino]-5-methoxy-2-tolyl]azo]-3-sulphonatosalicylate

inchi:
InChI=1/C36H29N7O12S.3Na/c1-18-12-28(30(55-2)17-27(18)43-42-24-15-26(35(49)50)32(45)31(16-24)56(52,53)54)39-33(46)19-4-3-5-22(13-19)38-36(51)37-20-6-8-21(9-7-20)40-41-23-10-11-29(44)25(14-23)34(47)48;;;/h3-17,44-45H,1-2H3,(H,39,46)(H,47,48)(H,49,50)(H2,37,38,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(N=NC=5C=C(C(=O)[O-])C(O)=C(C5)S(=O)(=O)[O-])C=C4OC)C)=CC=C1O


name: Acrisorcin
cas: 7527-91-5
formula: C13H10N2.C12H18O2
inchikey: YZODJQFXMFEJRM-UHFFFAOYSA-N
norman_susdat_id: NS00082779
smiles: CCCCCCc1ccc(O)cc1O.Nc2c3ccccc3nc4ccccc24
inchi:
InChI=1/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3


name: Sodium 4-(2-hydroxyethyl)piperazin-1-ylethanesulphonate
cas: 75277-39-3
dtxsid: DTXSID4044458
formula: C8H18N2O4S
inchikey: HBCNJIPGTJRQLC-UHFFFAOYSA-M
norman_susdat_id: NS00060913
pubchem_cid: 18457607
smiles: [Na+].O=S(=O)([O-])C(N1CCN(CCO)CC1)C
inchi:
InChI=1/C8H18N2O4S.Na/c1-8(15(12,13)14)10-4-2-9(3-5-10)6-7-11;/h8,11H,2-7H2,1H3,(H,12,13,14);/q;+1/p-1


name: Ammonium octadecyl hydrogen phosphate
cas: 7529-94-4
formula: C18H39O4P.H3N
inchikey: HMRDIGSAADRGQE-UHFFFAOYSA-N
norman_susdat_id: NS00081964
smiles: [NH4+].CCCCCCCCCCCCCCCCCCOP(=O)(O)[O-]
inchi:
InChI=1/C18H39O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h2-18H2,1H3,(H2,19,20,21);1H3


name: N-[4-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]-4-[(dimethylamino)sulphonyl]benzamide
cas: 75299-82-0
dtxsid: DTXSID40996751
formula: C30H23N3O6S
inchikey: YUITVXXZMQHAMJ-UHFFFAOYSA-N
norman_susdat_id: NS00059286
pubchem_cid: 3018580
smiles: O=C(NC1=CC=C(NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)C=3C(=O)C=4C=CC=CC4C(=O)C13)C=5C=CC=CC5
inchi:
InChI=1/C30H23N3O6S/c1-33(2)40(38,39)20-14-12-19(13-15-20)30(37)32-24-17-16-23(31-29(36)18-8-4-3-5-9-18)25-26(24)28(35)22-11-7-6-10-21(22)27(25)34/h3-17H,1-2H3,(H,31,36)(H,32,37)


name: 2-tert-Butoxy-2-oxoethyl [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetate
cas: 75302-98-6
chemspiderid: 11025878
dtxsid: DTXSID80539065
formula: C25H26Cl1N1O6
inchikey: FPYWWHOBBPHPFR-UHFFFAOYSA-N
norman_susdat_id: NS00008627
pubchem_cid: 13388202
smiles: COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)OC(C)(C)C)c2c1
inchi:
InChI=1S/C25H26ClNO6/c1-15-19(13-22(28)32-14-23(29)33-25(2,3)4)20-12-18(31-5)10-11-21(20)27(15)24(30)16-6-8-17(26)9-7-16/h6-12H,13-14H2,1-5H3


name: Dichloro[fluoro(heptadecafluorooctyl)-lambda~3~-chloranyl](pentafluorophenyl)silane
cas: 753025-21-7
dtxsid: DTXSID90703694
formula: C14Cl3F23Si
inchikey: AKVDITLFWMRIAX-UHFFFAOYSA-N
norman_susdat_id: NS00111947
inchi:
InChI=1S/C14Cl3F23Si/c15-41(16,6-4(21)2(19)1(18)3(20)5(6)22)17(40)13(35,36)11(31,32)9(27,28)7(23,24)8(25,26)10(29,30)12(33,34)14(37,38)39

smiles:
F[Cl](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)[Si](Cl)(Cl)C1=C(F)C(F)=C(F)C(F)=C1F


name: 2-chloro-N-[2-(1,1-dimethylethoxy)-2-(4-methoxyphenyl)ethyl]-3,4-dimethoxyphenethylamine
cas: 75306-60-4
dtxsid: DTXSID60996758
formula: C23H32ClNO4
inchikey: PTSDYEWSCSCGLA-UHFFFAOYSA-N
norman_susdat_id: NS00059871
pubchem_cid: 3018581
smiles: ClC1=C(OC)C(OC)=CC=C1CCNCC(OC(C)(C)C)C2=CC=C(OC)C=C2
inchi:
InChI=1/C23H32ClNO4/c1-23(2,3)29-20(16-7-10-18(26-4)11-8-16)15-25-14-13-17-9-12-19(27-5)22(28-6)21(17)24/h7-12,20,25H,13-15H2,1-6H3


name: N,N'-(9,10-Dihydro-9,10-dioxoanthracene-1,5-diyl)bis(4-methoxybenzamide)
cas: 75311-81-8
chemspiderid: 15296254
dtxsid: DTXSID60226269
formula: C30H22N2O6
inchikey: JAXCBQWXGCQMLT-UHFFFAOYSA-N
norman_susdat_id: NS00037699
pubchem_cid: 20348215
smiles: COc1ccc(cc1)C(=O)Nc1cccc2c1C(=O)c1c(c(NC(=O)c3ccc(OC)cc3)ccc1)C2=O
inchi:
InChI=1S/C30H22N2O6/c1-37-19-13-9-17(10-14-19)29(35)31-23-7-3-5-21-25(23)27(33)22-6-4-8-24(26(22)28(21)34)32-30(36)18-11-15-20(38-2)16-12-18/h3-16H,1-2H3,(H,31,35)(H,32,36)


name: 1-amino-9,10-dihydro-4-[(2-methoxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonic acid
cas: 75313-88-1
dtxsid: DTXSID30996760
formula: C21H16N2O6S
inchikey: WCRXWKFBJBYISN-UHFFFAOYSA-N
norman_susdat_id: NS00059872
pubchem_cid: 3018582
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC=4C=CC=CC4OC
inchi:
InChI=1/C21H16N2O6S/c1-29-15-9-5-4-8-13(15)23-14-10-16(30(26,27)28)19(22)18-17(14)20(24)11-6-2-3-7-12(11)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)


name: Undecafluoroiodopentane
cas: 75330-20-0
dtxsid: DTXSID90897542
norman_susdat_id: NS00112220
smiles:
F*.F*.FC(F)C(F)C(F)C(F)(F)C(F)(F)F.I* |lp:0:3,2:3,4:3,6:3,8:3,10:3,12:3,13:3,15:3,16:3,17:3,18:3,m:1:5.7,3:7.9,19:5.7.9|


name: Lovastatin
cas: 75330-75-5
chebiid: CHEBI:40303
chemspiderid: 48085
dtxsid: DTXSID5020784
formula: C24H36O5
inchikey: PCZOHLXUXFIOCF-BXMDZJJMSA-N
norman_susdat_id: NS00000544
pubchem_cid: 53232
smiles: O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC
inchi:
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1


name: Penicillin G ammonium
cas: 75333-20-9
dtxsid: DTXSID50226293
formula: C16H21N3O4S
inchikey: VTHLIEZHKMGTTK-LQDWTQKMSA-N
norman_susdat_id: NS00076324
smiles: [NH4+].CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O
inchi:
InChI=1S/C16H18N2O4S.H3N/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1H3/t11-,12+,14-;/m1./s1


name: POLYQUATERNIUM-1
cas: 75345-27-6
chemspiderid: 4445606
formula: C22H48N3O6
inchikey: YOANRIBNDKBHCR-GGWOSOGESA-N
norman_susdat_id: NS00013989
pubchem_cid: 5282454
smiles: [Cl-].[Cl-].[Cl-].C[N+](C)(C/C=C/C[N+](CCO)(CCO)CCO)C/C=C/C[N+](CCO)(CCO)CCO
inchi:
InChI=1S/C22H48N3O6.3ClH/c1-23(2,7-3-5-9-24(11-17-26,12-18-27)13-19-28)8-4-6-10-25(14-20-29,15-21-30)16-22-31;;;/h3-6,26-31H,7-22H2,1-2H3;3*1H/q+3;;;/p-3/b5-3+,6-4+;;;


name: Glycine, N-(carboxymethyl)-N-(2-((2-((carboxymethyl)amino)ethyl)amino)ethyl)-, trisodium salt
cas: 75348-61-7
chemspiderid: 23353022
dtxsid: DTXSID00226324
formula: C10H19N3O6
inchikey: MJLSPVQPMZTCSF-UHFFFAOYSA-K
norman_susdat_id: NS00020449
pubchem_cid: 44145758
smiles: [Na+].[Na+].[Na+].OC(=O)CNCCNCCN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C10H19N3O6/c14-8(15)5-12-2-1-11-3-4-13(6-9(16)17)7-10(18)19/h11-12H,1-7H2,(H,14,15)(H,16,17)(H,18,19)


name: 4-Nitrophenyl N-(tert-butoxycarbonyl)-3-phenyl-L-alaninate
cas: 7535-56-0
chemspiderid: 99872
dtxsid: DTXSID20226326
formula: C20H22N2O6
inchikey: QZIWWFMMLBBICG-KRWDZBQOSA-N
norman_susdat_id: NS00037701
pubchem_cid: 111308
smiles: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m0/s1


name: N2-[(tert-butoxy)carbonyl]-L-asparagine
cas: 7536-55-2
chebiid: CHEBI:3146
dtxsid: DTXSID80884401
formula: C9H16N2O5
inchikey: FYYSQDHBALBGHX-YFKPBYRVSA-N
norman_susdat_id: NS00046354
pubchem_cid: 82035
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC(=O)N
inchi:
InChI=1/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)


name: 4-benzyl hydrogen N-(tert-butoxycarbonyl)-L-aspartate
cas: 7536-58-5
dtxsid: DTXSID40884402
formula: C16H21NO6
inchikey: SOHLZANWVLCPHK-LBPRGKRZSA-N
norman_susdat_id: NS00047654
pubchem_cid: 1581888
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC(=O)OCC=1C=CC=CC1
inchi:
InChI=1/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)


name: 5-Hydroxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
cas: 75369-61-8
chemspiderid: 22547057
dtxsid: DTXSID60514274
formula: C14H11F3N2O3
inchikey: JSXNJGKWSWRIGA-UHFFFAOYSA-N
norman_susdat_id: NS00000019
pubchem_cid: 12978215
smiles: Cc1c(cccc1Nc2c(cc(cn2)O)C(=O)O)C(F)(F)F
inchi:
InChI=1S/C14H11F3N2O3/c1-7-10(14(15,16)17)3-2-4-11(7)19-12-9(13(21)22)5-8(20)6-18-12/h2-6,20H,1H3,(H,18,19)(H,21,22)


name: Flunixin methyl ester
cas: 75369-63-0
chemspiderid: 544177
formula: C15H13F3N2O2
inchikey: YKASBHLSNBJQJF-UHFFFAOYSA-N
norman_susdat_id: NS00114032
pubchem_cid: 626463
smiles: CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)OC)C(F)(F)F
inchi:
InChI=1S/C15H13F3N2O2/c1-9-11(15(16,17)18)6-3-7-12(9)20-13-10(14(21)22-2)5-4-8-19-13/h3-8H,1-2H3,(H,19,20)


name: Calcium 4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 7538-59-2
dtxsid: DTXSID2064737
formula: C17H11ClN2O6S
inchikey: VIZJOGBLIXKRJU-UHFFFAOYSA-L
norman_susdat_id: NS00047089
pubchem_cid: 82041
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC=C(Cl)C(=C3)S(=O)(=O)[O-])=C1O
inchi:
InChI=1/C17H11ClN2O6S.Ca/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;/h1-8,21H,(H,22,23)(H,24,25,26);/q;+2/p-2


name: N2-(1-Oxobutyl)-L-lysine
cas: 75383-79-8
chemspiderid: 21163094
dtxsid: DTXSID90226338
formula: C10H20N2O3
inchikey: VAWJDJJVJBQDHP-QMMMGPOBSA-N
norman_susdat_id: NS00037702
pubchem_cid: 18608203
smiles: CCCC(=O)NC(CCCCN)C(=O)O
inchi:
InChI=1S/C10H20N2O3/c1-2-5-9(13)12-8(10(14)15)6-3-4-7-11/h8H,2-7,11H2,1H3,(H,12,13)(H,14,15)/t8-/m1/s1


name: N2-(1-Oxodecyl)-L-lysine
cas: 75383-81-2
chemspiderid: 18615582
dtxsid: DTXSID50226339
formula: C16H32N2O3
inchikey: HWNOUKMTAAQVNH-AWEZNQCLSA-N
norman_susdat_id: NS00037703
pubchem_cid: 18634292
smiles: CCCCCCCCCC(=O)NC(CCCCN)C(=O)O
inchi:
InChI=1S/C16H32N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-14(16(20)21)11-9-10-13-17/h14H,2-13,17H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1


name: Tetraisopentyl thioperoxydiphosphate
cas: 7539-15-3
dtxsid: DTXSID50996843
formula: C20H44O4P2S4
inchikey: AJFYRTKGUONKBJ-UHFFFAOYSA-N
norman_susdat_id: NS00047106
pubchem_cid: 82042
smiles: S=P(OCCC(C)C)(OCCC(C)C)SSP(=S)(OCCC(C)C)OCCC(C)C
inchi:
InChI=1/C20H44O4P2S4/c1-17(2)9-13-21-25(27,22-14-10-18(3)4)29-30-26(28,23-15-11-19(5)6)24-16-12-20(7)8/h17-20H,9-16H2,1-8H3


name: Tris[2-(dicyclohexylamino)ethyl] borate
cas: 7539-58-4
dtxsid: DTXSID7064738
formula: C42H78BN3O3
inchikey: CLLRNFFLFVAFFV-UHFFFAOYSA-N
norman_susdat_id: NS00046356
pubchem_cid: 82043
smiles: O(B(OCCN(C1CCCCC1)C2CCCCC2)OCCN(C3CCCCC3)C4CCCCC4)CCN(C5CCCCC5)C6CCCCC6
inchi:
InChI=1/C42H78BN3O3/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)31-34-47-43(48-35-32-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)49-36-33-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h37-42H,1-36H2


name: (Z,Z)-N,N''-naphthalene-1,5-diylbis[N'-octadec-9-enylurea]
cas: 75396-06-4
formula: C48H80N4O2
inchikey: QIBPXNIRKXULAH-CLFAGFIQSA-N
norman_susdat_id: NS00059287
pubchem_cid: 44151678
smiles: O=C(NC1=CC=CC=2C(=CC=CC12)NC(=O)NCCCCCCCCC=CCCCCCCCC)NCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C48H80N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-49-47(53)51-45-39-35-38-44-43(45)37-36-40-46(44)52-48(54)50-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,35-40H,3-16,21-34,41-42H2,1-2H3,(H2,49,51,53)(H2,50,52,54)


name: Nonanoic acid, 2,4,6,8,9-pentachloro-2,3,3,4,5,5,6,7,7,8,9,9-dodecafluoro-
cas: 754-87-0
chemspiderid: NA
dtxsid: DTXSID20880164
formula: C9H1Cl5F12O2
inchikey: FYCDNYFZFQEDJN-UHFFFAOYSA-N
norman_susdat_id: NS00019235
pubchem_cid: NA
smiles: OC(=O)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl
inchi:
InChI=1S/C9HCl5F12O2/c10-2(15,1(27)28)6(19,20)3(11,16)7(21,22)4(12,17)8(23,24)5(13,18)9(14,25)26/h(H,27,28)


name: Perfluorooctanesulfonamide (PFOSA)
cas: 754-91-6
chebiid: CHEBI:138089
chemspiderid: 62984
dtxsid: DTXSID3038939
formula: C8H2F17N1O2S1
inchikey: RRRXPPIDPYTNJG-UHFFFAOYSA-N
norman_susdat_id: NS00010967
pubchem_cid: 69785
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)F)C(F)(F)S(=O)(N)=O
inchi:
InChI=1S/C8H2F17NO2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H2,26,27,28)


name: 1H,1H,10H,10H-Perfluorodecane-1,10-diol
cas: 754-96-1
chemspiderid: 2015203
dtxsid: DTXSID50369896
formula: C10H6F16O2
inchikey: NSKCTPBWPZPFHW-UHFFFAOYSA-N
norman_susdat_id: NS00019236
pubchem_cid: 2733404
smiles: OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
inchi:
InChI=1S/C10H6F16O2/c11-3(12,1-27)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2-28/h27-28H,1-2H2


name: a-D-ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate)
cas: 7540-64-9
formula: C5H13O14P3
inchikey: PQGCEDQWHSBAJP-UHFFFAOYSA-N
norman_susdat_id: NS00082401
smiles: OC1C(O)C(OP(=O)(O)OP(=O)(O)O)OC1COP(=O)(O)O
inchi:
InChI=1/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)


cas: 754191-93-0
dtxsid: DTXSID20882921
norman_susdat_id: NS00109631
name:
Ethene, 1-[difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-1,2,2-trifluoro-, polymer with 1,1-difluoroethene and 1,1,2,2-tetrafluoroethene


name: Paromomycin
cas: 7542-37-2
chebiid: CHEBI:7934
chemspiderid: 145115
dtxsid: DTXSID8023424
formula: C23H45N5O14
inchikey: UOZODPSAJZTQNH-LSWIJEOBSA-N
norman_susdat_id: NS00003180
pubchem_cid: 165580
inchi:
InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1

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


name: 3,3'-dihydro-ß,ß-carotene-4,4'-dione
cas: 7542-45-2
chebiid: CHEBI:3362
formula: C40H52O4
inchikey: FDSDTBUPSURDBL-DKLMTRRASA-N
norman_susdat_id: NS00081988
smiles: C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C
inchi:
InChI=1/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3


name: Saxitoxinol
cas: 75420-34-7
dtxsid: DTXSID70678553
formula: C10H17N7O3
inchikey: NILHUXIFTLLDPJ-TXDDJGQJSA-N
norman_susdat_id: NS00075502
smiles: NC(=O)OC[C@@H]1N=C(N)N2CC[C@@H](O)C22NC(N)=N[C@@H]12
inchi:
InChI=1S/C10H17N7O3/c11-7-15-6-4(3-20-9(13)19)14-8(12)17-2-1-5(18)10(6,17)16-7/h4-6,18H,1-3H2,(H2,12,14)(H2,13,19)(H3,11,15,16)/t4-,5+,6-,10?/m0/s1


name: Aluminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2-sulphonate)
cas: 75431-69-5
dtxsid: DTXSID00891091
formula: C20H12N2O5S
inchikey: YQDDVIKRGHXRCN-UHFFFAOYSA-K
norman_susdat_id: NS00060915
pubchem_cid: 13742711
inchi:
InChI=1/3C20H12N2O5S.Al/c3*23-19-11-3-1-2-4-15(11)21-17-9-14-18(8-13(17)19)22-16-6-5-10(28(25,26)27)7-12(16)20(14)24;/h3*1-9H,(H,21,23)(H,22,24)(H,25,26,27);/q;;;+3/p-3

smiles:
[Al+3].O=C1C=2C=CC=CC2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-].O=C1C=2C=CC=CC2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-].O=C1C=2C=CC=CC2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-]


name: 3,3-diphenyl-N-(4-pyridyl)propionamide
cas: 75437-13-7
dtxsid: DTXSID10996889
formula: C20H18N2O
inchikey: MMUDOIKJYLLJRY-UHFFFAOYSA-N
norman_susdat_id: NS00059365
pubchem_cid: 669546
smiles: O=C(NC=1C=CN=CC1)CC(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H18N2O/c23-20(22-18-11-13-21-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H,15H2,(H,21,22,23)


name: Dodecyl 5-oxo-DL-prolinate
cas: 75444-31-4
formula: C17H31NO3
inchikey: HJXPPCPJEYUQFQ-HNNXBMFYSA-N
norman_susdat_id: NS00089759
smiles: CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)


name: Flumeridone
cas: 75444-64-3
dtxsid: DTXSID60226360
formula: C22H23ClFN5O2
inchikey: CNBMQDMRPDUMDK-UHFFFAOYSA-N
norman_susdat_id: NS00059829
pubchem_cid: 71758
smiles: O=C1NC2=CC(F)=CC=C2N1CCCN3CCC(N4C(=O)NC5=CC(Cl)=CC=C54)CC3
inchi:
InChI=1/C22H23ClFN5O2/c23-14-2-4-20-17(12-14)26-22(31)29(20)16-6-10-27(11-7-16)8-1-9-28-19-5-3-15(24)13-18(19)25-21(28)30/h2-5,12-13,16H,1,6-11H2,(H,25,30)(H,26,31)


name: Pirenperone
cas: 75444-65-4
chebiid: CHEBI:92444
dtxsid: DTXSID9045182
formula: C23H24FN3O2
inchikey: HXCNRYXBZNHDNE-UHFFFAOYSA-N
norman_susdat_id: NS00059920
pubchem_cid: 4847
smiles: O=C1C(=C(N=C2C=CC=CN12)C)CCN3CCC(C(=O)C4=CC=C(F)C=C4)CC3
inchi:
InChI=1/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3


name: N,N-Bis(2-hydroxyethyl)hexadecanamide
cas: 7545-24-6
chemspiderid: 74046
dtxsid: DTXSID90880419
formula: C20H41N1O3
inchikey: VJESJEJNMGVQLZ-UHFFFAOYSA-N
norman_susdat_id: NS00013929
pubchem_cid: 82046
smiles: CCCCCCCCCCCCCCCC(=O)N(CCO)CCO
inchi:
InChI=1S/C20H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)21(16-18-22)17-19-23/h22-23H,2-19H2,1H3


cas: 75457-52-2
formula: C37H70O8S3Sn
inchikey: PHBVTDBCMMRERU-UHFFFAOYSA-K
norman_susdat_id: NS00060960
pubchem_cid: 14847516
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)CCC(=O)OCCCC
name:
2-ethylhexyl 4-(3-butoxy-3-oxopropyl)-10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

inchi:
InChI=1/3C10H20O2S.C7H13O2.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-6-9-7(8)4-2;/h3*9,13H,3-8H2,1-2H3;2-6H2,1H3;/q;;;;+3/p-3/rC37H70O8S3Sn/c1-8-15-19-31(12-5)25-43-35(39)28-46-49(24-22-34(38)42-23-18-11-4,47-29-36(40)44-26-32(13-6)20-16-9-2)48-30-37(41)45-27-33(14-7)21-17-10-3/h31-33H,8-30H2,1-7H3


cas: 75472-91-2
formula: C20H24N2O3S.ClH
inchikey: XNQWAVFYFJXSHD-VOMIJIAVSA-N
norman_susdat_id: NS00090060
smiles: Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2O
name:
(2S-cis)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

inchi:
InChI=1/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H


name: 1-Naphthalenesulfonic acid, 7-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-hydroxy-
cas: 75476-93-6
chemspiderid: 151388
dtxsid: DTXSID9072812
formula: C14H12N2O5S1
inchikey: GZMUIZGBSSTJPC-UHFFFAOYSA-N
norman_susdat_id: NS00037710
pubchem_cid: 173416
smiles: CC1=NN(C(=O)C1)c1ccc2cc(O)cc(c2c1)S(=O)(=O)O
inchi:
InChI=1S/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,19,20,21)


name: 1-[(2-ethylhexyl)amino]-4-(methylamino)anthraquinone
cas: 75476-94-7
dtxsid: DTXSID30888479
formula: C23H28N2O2
inchikey: QJQBYILFKAVOTC-UHFFFAOYSA-N
norman_susdat_id: NS00059921
pubchem_cid: 173417
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC)C13)NCC(CC)CCCC
inchi:
InChI=1/C23H28N2O2/c1-4-6-9-15(5-2)14-25-19-13-12-18(24-3)20-21(19)23(27)17-11-8-7-10-16(17)22(20)26/h7-8,10-13,15,24-25H,4-6,9,14H2,1-3H3


cas: 75476-99-2
dtxsid: DTXSID9072814
formula: C34H26N6O17S5
inchikey: GMSTVADBTKVXFB-UHFFFAOYSA-N
norman_susdat_id: NS00059922
pubchem_cid: 136617531
name:
2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, compd. with 2,2',2''-nitrilotris[ethanol] (1:5)

inchi:
InChI=1/C34H26N6O17S5.5C6H15NO3/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;5*8-4-1-7(2-5-9)3-6-10/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);5*8-10H,1-6H2

smiles:
O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC3=CC=C(C=CC4=CC=C(N=NC=5C(O)=C6C=C(N)C=CC6=CC5S(=O)(=O)O)C=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)C(=CC2=C1)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO


name: 3'-deoxycytidine sulphate
cas: 75489-87-1
dtxsid: DTXSID70226432
formula: C9H13N3O4
inchikey: PEKHEHDHQSGRKC-OERIEOFYSA-N
norman_susdat_id: NS00060962
pubchem_cid: 12901046
smiles: O=C1N=C(N)C=CN1C2OC(CO)CC2O.O=S(=O)(O)O
inchi:
InChI=1/C9H13N3O4.H2O4S/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8;1-5(2,3)4/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);(H2,1,2,3,4)


name: tris((Perfluoropropyl)methyl) borate
cas: 755-53-3
dtxsid: DTXSID20896967
formula: C12H6BF21O3
inchikey: XJNAPTARYFQVEU-UHFFFAOYSA-N
norman_susdat_id: NS00109800
smiles: FC(F)(F)C(F)(F)C(F)(F)COB(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6BF21O3/c14-4(15,7(20,21)10(26,27)28)1-35-13(36-2-5(16,17)8(22,23)11(29,30)31)37-3-6(18,19)9(24,25)12(32,33)34/h1-3H2


name: Ethylphenidate
cas: 7550-06-3
chemspiderid: 175046
formula: C15H21NO2
inchikey: AGSKYKDXQOBAPX-UHFFFAOYSA-N
norman_susdat_id: NS00101048
pubchem_cid: 202135
smiles: CCOC(=O)C(c1ccccc1)N2CCCCC2
inchi:
InChI=1S/C15H21NO2/c1-2-18-15(17)14(13-9-5-3-6-10-13)16-11-7-4-8-12-16/h3,5-6,9-10,14H,2,4,7-8,11-12H2,1H3


name: Regorafenib
cas: 755037-03-7
chebiid: CHEBI:68647
chemspiderid: 9342697
dtxsid: DTXSID60226441
formula: C21H15Cl1F4N4O3
inchikey: FNHKPVJBJVTLMP-UHFFFAOYSA-N
norman_susdat_id: NS00040710
pubchem_cid: 11167602
smiles: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
inchi:
InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)


name: Acetamide, N,N'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis(imino-4,1-phenylene)]bis-
cas: 75508-31-5
chemspiderid: 4590379
dtxsid: DTXSID4072815
formula: C30H24N4O4
inchikey: LIMVWSXMKAREHI-UHFFFAOYSA-N
norman_susdat_id: NS00037711
pubchem_cid: 5490756
smiles: CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(NC(=O)C)cc3)c3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C30H24N4O4/c1-17(35)31-19-7-11-21(12-8-19)33-25-15-16-26(34-22-13-9-20(10-14-22)32-18(2)36)28-27(25)29(37)23-5-3-4-6-24(23)30(28)38/h3-16,33-34H,1-2H3,(H,31,35)(H,32,36)


name: Dipotassium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 75508-33-7
formula: C26H20N4O8S2.2K
inchikey: XISHMBOLIWABPM-ZFEDVODKSA-L
norman_susdat_id: NS00090016
smiles: [K+].[K+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4
inchi:
InChI=1/C26H20N4O8S2.2K/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


name: 2-(phenylamino)acridin-9(10H)-one
cas: 75512-00-4
formula: C19H14N2O
inchikey: USTNFRALPDIXCN-UHFFFAOYSA-N
norman_susdat_id: NS00059830
pubchem_cid: 3018596
smiles: O=C1C=2C=CC=CC2NC3=CC=C(C=C13)NC=4C=CC=CC4
inchi:
InChI=1/C19H14N2O/c22-19-15-8-4-5-9-17(15)21-18-11-10-14(12-16(18)19)20-13-6-2-1-3-7-13/h1-12,20H,(H,21,22)


name: 5-(aminosulphonyl)-2-methoxy-N-[(1-methyl-2-pyrrolidinyl)methyl]benzamide monohydrochloride
cas: 75514-28-2
formula: C14H21N3O4S.ClH
inchikey: AXTWSNUJSPHOIS-UHFFFAOYSA-N
norman_susdat_id: NS00090069
smiles: Cl.COc1ccc(cc1C(=O)NCC2CCCN2C)S(=O)(=O)N
inchi:
InChI=1/C14H21N3O4S.ClH/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2;/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20);1H


cas: 75522-93-9
formula: C53H40N11O20S4
inchikey: HOPPJPJOPRWPMZ-UHFFFAOYSA-J
norman_susdat_id: NS00059853
pubchem_cid: NA
name:
Benzoic acid, 2-[[2-amino-6-[[4'-[[5-[(2,5-disulfophenyl)azo]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-, tetrasodium salt

inchi:
InChI=1/C53H39N11O20S4.4Na/c1-83-42-20-26(8-15-38(42)57-62-49-45(87(77,78)79)24-33-31(51(49)65)12-14-36(54)47(33)60-56-37-17-10-29(64(69)70)22-35(37)53(67)68)27-9-16-39(43(21-27)84-2)58-63-50-46(88(80,81)82)25-34-32(52(50)66)13-18-40(55-28-6-4-3-5-7-28)48(34)61-59-41-23-30(85(71,72)73)11-19-44(41)86(74,75)76;;;;/h3-25,55,65-66H,54H2,1-2H3,(H,67,68)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC2=C(N)C=CC3=C(O)C(N=NC4=CC=C(C=C4OC)C5=CC=C(N=NC=6C(O)=C7C=CC(NC=8C=CC=CC8)=C(N=NC9=CC(=CC=C9S(=O)(=O)[O-])S(=O)(=O)[O-])C7=CC6S(=O)(=O)[O-])C(OC)=C5)=C(C=C23)S(=O)(=O)O)[N+](=O)[O-]


cas: 75522-94-0
formula: C48H38N9O19S4
inchikey: XFVPMHVERUTKNQ-UHFFFAOYSA-K
norman_susdat_id: NS00059367
pubchem_cid: NA
name:
Benzoic acid, 2-[[2-amino-5-hydroxy-6-[[4'-[[1-hydroxy-8-[[(4-methylphenyl)sulfonyl]amino]-3,6-disulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-7-sulfo-1-naphthalenyl]azo]-5-nitro-, trisodium salt

inchi:
InChI=1/C48H37N9O19S4.3Na/c1-23-4-9-28(10-5-23)77(64,65)56-37-21-29(78(66,67)68)16-26-19-40(79(69,70)71)45(47(59)42(26)37)55-52-36-14-7-25(18-39(36)76-3)24-6-13-35(38(17-24)75-2)51-54-44-41(80(72,73)74)22-31-30(46(44)58)11-12-33(49)43(31)53-50-34-15-8-27(57(62)63)20-32(34)48(60)61;;;/h4-22,56,58-59H,49H2,1-3H3,(H,60,61)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC2=C(N)C=CC3=C(O)C(N=NC4=CC=C(C=C4OC)C5=CC=C(N=NC6=C(O)C7=C(C=C(C=C7NS(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)[O-])C=C6S(=O)(=O)[O-])C(OC)=C5)=C(C=C23)S(=O)(=O)O)[N+](=O)[O-]


name: Nilvadipine
cas: 75530-68-6
chebiid: CHEBI:31911
chemspiderid: 4338
dtxsid: DTXSID2046624
formula: C19H19N3O6
inchikey: FAIIFDPAEUKBEP-UHFFFAOYSA-N
norman_susdat_id: NS00003603
pubchem_cid: 4494
smiles: COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N
inchi:
InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3


name: L-arginine mono[3-(1H-imidazol-4-yl)acrylate]
cas: 75532-27-3
formula: C6H14N4O2.C6H6N2O2
inchikey: HRWWEENNZNMMPS-MGVJIHIJSA-N
norman_susdat_id: NS00089760
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)\C=C\c1c[nH]cn1
inchi:
InChI=1/C6H14N4O2.C6H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;9-6(10)2-1-5-3-7-4-8-5/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-4H,(H,7,8)(H,9,10)


name: N,N'-bis(dimethylphenyl)guanidine
cas: 75535-12-5
formula: C17H21N3
inchikey: SQDYIZWEQGMDFO-UHFFFAOYSA-N
norman_susdat_id: NS00059369
pubchem_cid: 173423
smiles: N=C(NC1=CC=CC(=C1C)C)NC2=CC=CC(=C2C)C
inchi:
InChI=1/C17H21N3/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H3,18,19,20)


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 75535-16-9
formula: C23H29N2.H2O4P
inchikey: DNQYATSEPGGRFT-UHFFFAOYSA-K
norman_susdat_id: NS00090070
smiles: CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C23H29N2.H3O4P/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3


cas: 75535-20-5
dtxsid: DTXSID60996995
formula: C29H26N7O
inchikey: GLCQTZIXBGRCLR-UHFFFAOYSA-M
norman_susdat_id: NS00060965
pubchem_cid: 44149421
name:
3-[(1,3-diallyl-1,3-dihydro-2H-imidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3,9-dihydro-2,4-dimethyl-9-oxopyrazolo[5,1-b]quinazolinium toluene-p-sulphonate

inchi:
InChI=1/C29H26N7O.C7H8O3S/c1-5-17-34-25(35(18-6-2)27-26(34)30-22-12-8-9-13-23(22)31-27)16-15-20-19(3)32-36-28(20)33(4)24-14-10-7-11-21(24)29(36)37;1-6-2-4-7(5-3-6)11(8,9)10/h5-16H,1-2,17-18H2,3-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

smiles:
O=C1C=2C=CC=CC2N(C=3C(=CC=C4N(C5=NC=6C=CC=CC6N=C5N4CC=C)CC=C)C(=N[N+]13)C)C.O=S(=O)([O-])C1=CC=C(C=C1)C


name: a-(tert-butyl)-ß-(4-chlorophenoxy)-1H-imidazol-1-ethanol monohydrochloride
cas: 75536-36-6
dtxsid: DTXSID40996998
formula: C15H19ClN2O2
inchikey: MMVDPROQZNDCDP-UHFFFAOYSA-N
norman_susdat_id: NS00059058
pubchem_cid: 16072161
smiles: Cl.ClC1=CC=C(OC(N2C=NC=C2)C(O)C(C)(C)C)C=C1
inchi:
InChI=1/C15H19ClN2O2.ClH/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12;/h4-10,13-14,19H,1-3H3;1H


name: 1-[[4,6-bis(methylphenylamino)-1,3,5-triazin-2-yl]amino]anthraquinone
cas: 75551-82-5
dtxsid: DTXSID70226477
formula: C31H24N6O2
inchikey: HYIZIULQZWGIEC-UHFFFAOYSA-N
norman_susdat_id: NS00059980
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC=4N=C(N=C(N4)N(C=5C=CC=CC5)C)N(C=6C=CC=CC6)C
inchi:
InChI=1/C31H24N6O2/c1-36(20-12-5-3-6-13-20)30-33-29(34-31(35-30)37(2)21-14-7-4-8-15-21)32-25-19-11-18-24-26(25)28(39)23-17-10-9-16-22(23)27(24)38/h3-19H,1-2H3,(H,32,33,34,35)


name: AMX S-Oxide
cas: 75554-00-6
chemspiderid: NA
formula: C16H19N3O6S1
inchikey: YFXYGMWQQZRFIT-ZUTLIKADSA-N
norman_susdat_id: NS00008794
pubchem_cid: 102196451
smiles: CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)[S+]1[O-])C(O)=O
inchi:
InChI=1S/C16H19N3O6S/c1-16(2)11(15(23)24)19-13(22)10(14(19)26(16)25)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-,26?/m1/s1


name: Amperozide
cas: 75558-90-6
chebiid: CHEBI:92913
dtxsid: DTXSID6048416
formula: C23H29F2N3O
inchikey: NNAIYOXJNVGUOM-UHFFFAOYSA-N
norman_susdat_id: NS00069847
pubchem_cid: 73333
smiles: CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
inchi:
InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)


cas: 75559-05-6
dtxsid: DTXSID80890360
formula: C30H22ClN7O13S4
inchikey: LBOZPVGWLZDDAI-UHFFFAOYSA-K
norman_susdat_id: NS00059981
pubchem_cid: 173428
name:
Ammonium trisodium 7-[[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C30H22ClN7O13S4.H3N.3Na/c1-38(18-5-3-2-4-6-18)30-34-28(31)33-29(35-30)32-17-7-8-20-15(9-17)12-25(55(49,50)51)26(27(20)39)37-36-22-14-21-16(11-24(22)54(46,47)48)10-19(52(40,41)42)13-23(21)53(43,44)45;;;;/h2-14,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);1H3;;;/q;;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC5=NC(Cl)=NC(=N5)N(C=6C=CC=CC6)C)C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH4+]


name: Ingenol-3-angelate
cas: 75567-37-2
chemspiderid: 28533061
formula: C25H34O6
inchikey: VDJHFHXMUKFKET-WDUFCVPESA-N
norman_susdat_id: NS00018295
pubchem_cid: 6918670
smiles: CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C
inchi:
InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1


name: (2-Ethyl-2-((2-((1-oxoallyl)oxy)ethoxy)methyl)-1,3-propanediyl)bis(oxy-2,1-ethanediyl) diacrylate
cas: 75577-70-7
chemspiderid: 103041
dtxsid: DTXSID00858841
formula: C21H32O9
inchikey: MTPIZGPBYCHTGQ-UHFFFAOYSA-N
norman_susdat_id: NS00019845
pubchem_cid: 115157
smiles: CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
inchi:
InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3


name: 3-benzoyl-6-hydroxy-1,2-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 75578-77-7
dtxsid: DTXSID50997017
formula: C33H20N4O10S2
inchikey: KWYHNQZVSXUKEH-UHFFFAOYSA-N
norman_susdat_id: NS00059748
pubchem_cid: NA
inchi:
InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)40)8-4-10-27(19)48(42,43)46-32-23(29(39)18-6-2-1-3-7-18)14-17-26(38)33(32)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)41/h1-17,38H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C(O)=CC=C(C(=O)C=4C=CC=CC4)C3OS(=O)(=O)C=5C=CC=C6C(=O)C(=[N+]=[N-])C=CC65)C1=O


name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 3-benzoyl-2,6-dihydroxyphenyl ester
cas: 75578-78-8
chemspiderid: 151398
dtxsid: DTXSID4072817
formula: C23H14N2O7S1
inchikey: ZPLLAXXNFHOLCF-UHFFFAOYSA-N
norman_susdat_id: NS00037714
pubchem_cid: NA
smiles: Oc1c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(O)c(cc1)C(=O)c1ccccc1
inchi:
InChI=1S/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)28)7-4-8-19(14)33(30,31)32-23-18(26)12-10-16(22(23)29)20(27)13-5-2-1-3-6-13/h1-12,26,29H


name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 6-benzoyl-2,3-dihydroxyphenyl ester
cas: 75578-79-9
chemspiderid: 151400
dtxsid: DTXSID9072818
formula: C23H14N2O7S1
inchikey: DYJRGMPOHRWJFU-UHFFFAOYSA-N
norman_susdat_id: NS00037715
pubchem_cid: NA
smiles: Oc1c(O)c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)c(cc1)C(=O)c1ccccc1
inchi:
InChI=1S/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)28)7-4-8-19(14)33(30,31)32-23-16(10-12-18(26)22(23)29)20(27)13-5-2-1-3-6-13/h1-12,26,29H


name: 2,6,10,14,18-pentamethyl-2,6,10,14,18-eicosapentaene
cas: 75581-03-2
dtxsid: DTXSID60880648
formula: C25H42
inchikey: IMXDCJPVYKXJPD-FMOJUEAUSA-N
norman_susdat_id: NS00095897
smiles: CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C
inchi:
InChI=1S/C25H42/c1-8-22(4)14-10-16-24(6)18-12-20-25(7)19-11-17-23(5)15-9-13-21(2)3/h8,13,16-17,20H,9-12,14-15,18-19H2,1-7H3/b22-8+,23-17+,24-16+,25-20+


name: 2-(3-hydroxy-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-p-benzoquinone
cas: 7559-04-8
dtxsid: DTXSID501009892
formula: C29H50O3
inchikey: LTVDFSLWFKLJDQ-UHFFFAOYSA-N
norman_susdat_id: NS00046432
pubchem_cid: 24205
smiles: O=C1C(=C(C(=O)C(=C1C)CCC(O)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
inchi:
InChI=1/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3


name: Debromohymenialdisine
cas: 75593-17-8
chemspiderid: 4450275
dtxsid: DTXSID00415332
formula: C11H11N5O2
inchikey: JYRJOQGKGMHTOO-VURMDHGXSA-N
norman_susdat_id: NS00018630
pubchem_cid: 5288032
smiles: C1CNC(=O)C2=C(C1=C3C(=O)N=C(N3)N)C=CN2
inchi:
InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-


name: Potassium 3-(4-nitrophenoxy)propanesulphonate
cas: 75593-59-8
formula: C9H11NO6S.K
inchikey: SWIZKNXTASMBSR-UHFFFAOYSA-M
norman_susdat_id: NS00089302
smiles: [K+].[O-][N+](=O)c1ccc(OCCCS(=O)(=O)[O-])cc1
inchi:
InChI=1/C9H11NO6S.K/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15;/h2-5H,1,6-7H2,(H,13,14,15);/q;+1/p-1


name: 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]-N-(3-methoxypropyl)benzenesulphonamide
cas: 75601-56-8
dtxsid: DTXSID50997032
formula: C24H22N2O7S
inchikey: ZNHAFMWABUTMHD-UHFFFAOYSA-N
norman_susdat_id: NS00059750
pubchem_cid: 3018605
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC4=CC=C(C=C4)S(=O)(=O)NCCCOC)=CC(O)=C13
inchi:
InChI=1/C24H22N2O7S/c1-32-12-4-11-26-34(30,31)15-9-7-14(8-10-15)33-19-13-18(27)20-21(22(19)25)24(29)17-6-3-2-5-16(17)23(20)28/h2-3,5-10,13,26-27H,4,11-12,25H2,1H3


name: Fludarabine phosphate
cas: 75607-67-9
chemspiderid: 3251
dtxsid: DTXSID2023060
formula: C10H13F1N5O7P1
inchikey: GIUYCYHIANZCFB-UHFFFAOYSA-N
norman_susdat_id: NS00008397
pubchem_cid: 30751
smiles: Nc1nc(F)nc2n(cnc12)C1OC(COP(O)(O)=O)C(O)C1O
inchi:
InChI=1S/C10H13FN5O7P/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,14,15)(H2,19,20,21)


name: [(3-methylisoxazol-5-yl)methyl]triphenylphosphonium chloride
cas: 75624-75-8
dtxsid: DTXSID80997060
formula: C23H21NOP
inchikey: PBCNGBQKPKQWEQ-UHFFFAOYSA-M
norman_susdat_id: NS00058800
pubchem_cid: 3018606
smiles: [Cl-].N=1OC(=CC1C)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C23H21NOP.ClH/c1-19-17-20(25-24-19)18-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-17H,18H2,1H3;1H/q+1;/p-1


name: 2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)propionate
cas: 75626-98-1
formula: C37H39ClN2O4
inchikey: RRHPLWOJGYBOPW-UHFFFAOYSA-N
norman_susdat_id: NS00089508
smiles: O=C(c1ccccc1)c2cc(ccc2)C(C)C(=O)OCCOCCN3CCN(CC3)Cc5ccccc5c4ccc(Cl)cc4
inchi:
InChI=1/C37H39ClN2O4/c1-28(31-11-7-12-32(26-31)36(41)30-8-3-2-4-9-30)37(42)44-25-24-43-23-22-39-18-20-40(21-19-39)27-33-10-5-6-13-35(33)29-14-16-34(38)17-15-29/h2-17,26,28H,18-25,27H2,1H3


name: 2-[4-[[4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-2-methylphenyl]azo]phenoxy]ethyl sodium sulphate
cas: 75627-15-5
dtxsid: DTXSID20891093
formula: C26H28N6O5S
inchikey: SFSQQVSTVHUNRS-UHFFFAOYSA-M
norman_susdat_id: NS00058844
pubchem_cid: 173443
smiles: [Na+].N#CCCN(C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCCOS(=O)(=O)[O-])C=C3)C(=C2)C)C=C1)CC
inchi:
InChI=1/C26H28N6O5S.Na/c1-3-32(16-4-15-27)24-10-5-21(6-11-24)28-30-23-9-14-26(20(2)19-23)31-29-22-7-12-25(13-8-22)36-17-18-37-38(33,34)35;/h5-14,19H,3-4,16-18H2,1-2H3,(H,33,34,35);/q;+1/p-1


name: Sodium 3-[[4-[(2-methoxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 75627-17-7
dtxsid: DTXSID60888487
formula: C24H20N4O4S
inchikey: UFKGCAHCBCVYJV-UHFFFAOYSA-M
norman_susdat_id: NS00058801
pubchem_cid: 166475
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC(=CC=C3OC)C)C=4C=CC=CC24)C1
inchi:
InChI=1/C24H20N4O4S.Na/c1-16-10-13-24(32-2)23(14-16)28-27-22-12-11-21(19-8-3-4-9-20(19)22)26-25-17-6-5-7-18(15-17)33(29,30)31;/h3-15H,1-2H3,(H,29,30,31);/q;+1/p-1


name: Sodium 8-amino-5-(naphthylazo)naphthalene-2-sulphonate
cas: 75627-23-5
formula: C20H15N3O3S.Na
inchikey: NNJUZBXHCXWEHT-UHFFFAOYSA-M
norman_susdat_id: NS00089509
smiles: [Na+].[O-]S(=O)(=O)c1ccc4c(c1)c(N)ccc4N=Nc3cccc2ccccc23
inchi:
InChI=1/C20H15N3O3S.Na/c21-18-10-11-20(16-9-8-14(12-17(16)18)27(24,25)26)23-22-19-7-3-5-13-4-1-2-6-15(13)19;/h1-12H,21H2,(H,24,25,26);/q;+1/p-1


name: 8-Amino-5-[2-(1-naphthalenyl)diazenyl]-2-naphthalenesulfonic acid
cas: 75627-24-6
chemspiderid: 151408
dtxsid: DTXSID4072819
formula: C20H15N3O3S1
inchikey: JJHQFOBGXGZJBW-UHFFFAOYSA-N
norman_susdat_id: NS00037716
pubchem_cid: 173453
smiles: Nc1ccc(N=Nc2c3ccccc3ccc2)c2ccc(cc12)S(=O)(=O)O
inchi:
InChI=1S/C20H15N3O3S/c21-18-10-11-20(16-9-8-14(12-17(16)18)27(24,25)26)23-22-19-7-3-5-13-4-1-2-6-15(13)19/h1-12H,21H2,(H,24,25,26)/b23-22-


cas: 75627-29-1
formula: C25H20N4O8S2.K
inchikey: XDIWVBKEYVBFLN-UHFFFAOYSA-M
norman_susdat_id: NS00089992
smiles: [K+].O=S(=O)(Oc1ccc(cc1C)N=Nc3ccc(Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)cc3)c4ccccc4
name:
Potassium 2-[[4-[[3-methyl-4-[(phenylsulphonyl)oxy]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate

inchi:
InChI=1/C25H20N4O8S2.K/c1-17-15-20(11-14-24(17)37-39(35,36)22-5-3-2-4-6-22)28-27-19-9-7-18(8-10-19)26-23-13-12-21(29(30)31)16-25(23)38(32,33)34;/h2-16,26H,1H3,(H,32,33,34);/q;+1/p-1


cas: 75627-31-5
formula: C21H35NO4
norman_susdat_id: NS00101325
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-[(carboxymethyl)methylamino]-2-hydroxypropyl]-.omega.-(4-nonylphenoxy)-, monosodium salt


name: 5-ethyl-5-(sec-pentyl)barbituric acid, calcium salt
cas: 7563-42-0
formula: C11H18N2O3.xCa
inchikey: AJZCPCVZCDQEFK-UHFFFAOYSA-L
norman_susdat_id: NS00082440
smiles: CCCC(C)C1(CC)C(=O)N=C2O[Ca]OC1=N2
inchi:
InChI=1/C11H18N2O3.Ca/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+2/p-2


name: 5-acetyl-2-(phenylmethoxy)benzamide
cas: 75637-30-8
dtxsid: DTXSID20997069
formula: C16H15NO3
inchikey: NTDLDXWJXHCHAA-UHFFFAOYSA-N
norman_susdat_id: NS00058347
pubchem_cid: 3018609
smiles: O=C(N)C1=CC(=CC=C1OCC=2C=CC=CC2)C(=O)C
inchi:
InChI=1/C16H15NO3/c1-11(18)13-7-8-15(14(9-13)16(17)19)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,19)


name: Quino[2,3-b]acridine-7,14-dione, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-5,12-dihydro-
cas: 75641-02-0
chemspiderid: 2342747
dtxsid: DTXSID0074631
formula: C29H17N3O4
inchikey: SJIQTGOBEGYKSI-UHFFFAOYSA-N
norman_susdat_id: NS00019497
pubchem_cid: 3086034
smiles: O=C1N(Cc2cc3c([nH]c4cc5c([nH]c6c(cccc6)c5=O)cc4c3=O)cc2)C(=O)c2ccccc12
inchi:
InChI=1S/C29H17N3O4/c33-26-18-7-3-4-8-22(18)30-24-13-21-25(12-20(24)26)31-23-10-9-15(11-19(23)27(21)34)14-32-28(35)16-5-1-2-6-17(16)29(32)36/h1-13H,14H2,(H,30,33)(H,31,34)


name: Diphthamide
cas: 75645-22-6
chebiid: CHEBI:57580
dtxsid: DTXSID60904010
formula: C13H24N5O3
inchikey: FOOBQHKMWYGHCE-UWVGGRQHSA-O
norman_susdat_id: NS00070668
pubchem_cid: 46936613
smiles: C[N+](C)(C)[C@@H](CCc1nc(C[C@H](N)C(=O)O)c[nH]1)C(N)=O
inchi:
InChI=1S/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1/t9-,10-/m0/s1


cas: 75655-06-0
formula: C25H15N5O3
inchikey: XHTAFVMLAHEELK-UHFFFAOYSA-N
norman_susdat_id: NS00058860
pubchem_cid: 3018612
smiles: N#CC(C(=O)N)=C1N=C(NC2=CC=C(C=C2)N3C(=O)C=4C=CC=CC4C3=O)C=5C=CC=CC15
name:
2-cyano-2-[3-[[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]amino]-1H-isoindol-1-ylidene]acetamide

inchi:
InChI=1/C25H15N5O3/c26-13-20(22(27)31)21-16-5-1-2-6-17(16)23(29-21)28-14-9-11-15(12-10-14)30-24(32)18-7-3-4-8-19(18)25(30)33/h1-12H,(H2,27,31)(H,28,29)


name: Benzenesulfonamide, 4,4'-oxybis-
cas: 7566-41-8
chemspiderid: 74053
dtxsid: DTXSID6064743
formula: C12H12N2O5S2
inchikey: OODSXPZTBWKLTE-UHFFFAOYSA-N
norman_susdat_id: NS00037718
pubchem_cid: 82054
smiles: NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)N)cc1
inchi:
InChI=1S/C12H12N2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)


name: 4-(phenylazo)benzene-1,3-diamine monoacetate
cas: 75660-25-2
formula: C12H12N4.C2H4O2
inchikey: VKWMKHKYDTTYER-UHFFFAOYSA-N
norman_susdat_id: NS00089327
smiles: CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2
inchi:
InChI=1/C12H12N4.C2H4O2/c13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-2(3)4/h1-8H,13-14H2;1H3,(H,3,4)


name: Tributyl prop-1-ene-1,2,3-tricarboxylate
cas: 7568-58-3
dtxsid: DTXSID50864093
formula: C18H30O6
inchikey: BANLNYYTSYHBAP-UHFFFAOYSA-N
norman_susdat_id: NS00047168
pubchem_cid: 94813
smiles: O=C(OCCCC)C=C(C(=O)OCCCC)CC(=O)OCCCC
inchi:
InChI=1/C18H30O6/c1-4-7-10-22-16(19)13-15(18(21)24-12-9-6-3)14-17(20)23-11-8-5-2/h13H,4-12,14H2,1-3H3


name: 2-(2,4-dichlorobenzamido)-5-(pyrimidin-2-yloxy)benzoic acid
cas: 756813-87-3
formula: C18H11Cl2N3O4
inchikey: VNDRRWBKNSHALL-UHFFFAOYSA-N
norman_susdat_id: NS00070546
pubchem_cid: 5289162
smiles: O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)


name: 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
cas: 75693-75-3
chebiid: CHEBI:131502
formula: C19H32N2O5
inchikey: ZIDQIOZJEJFMOH-UHFFFAOYSA-N
norman_susdat_id: NS00089525
smiles: OC(CCN1C(CCCCCCC(=O)O)C(=O)NC1=O)C2CCCCC2
inchi:
InChI=1/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)


name: Isradipine
cas: 75695-93-1
chebiid: CHEBI:6073
chemspiderid: 3652
dtxsid: DTXSID4023179
formula: C19H21N3O5
inchikey: HMJIYCCIJYRONP-UHFFFAOYSA-N
norman_susdat_id: NS00004669
pubchem_cid: 3784
smiles: COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C
inchi:
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3


name: cinolazepam
cas: 75696-02-5
chebiid: CHEBI:59514
chemspiderid: 2298251
formula: C18H13Cl1F1N3O2
inchikey: XAXMYHMKTCNRRZ-UHFFFAOYSA-N
norman_susdat_id: NS00004905
pubchem_cid: 3033621
smiles: OC1N=C(c2ccccc2F)c2cc(Cl)ccc2N(CCC#N)C1=O
inchi:
InChI=1S/C18H13ClFN3O2/c19-11-6-7-15-13(10-11)16(12-4-1-2-5-14(12)20)22-17(24)18(25)23(15)9-3-8-21/h1-2,4-7,10,17,24H,3,9H2


name: Hexaethyl tetraphosphate
cas: 757-58-4
dtxsid: DTXSID80862401
formula: C12H30O11P4
inchikey: VOUXIKYKDQCCLL-UHFFFAOYSA-N
norman_susdat_id: NS00042157
pubchem_cid: 129630800
smiles: O=P(OCC)(OCC)P(=O)(OCC)OP(=O)(OCC)P(=O)(OCC)OCC
inchi:
InChI=1/C12H30O11P4/c1-7-17-24(13,18-8-2)26(15,21-11-5)23-27(16,22-12-6)25(14,19-9-3)20-10-4/h7-12H2,1-6H3


name: Chlorotris(2,2,3,3,4,4,4-heptafluorobutoxy)silane
cas: 757-72-2
dtxsid: DTXSID20895617
formula: C12H6ClF21O3Si
inchikey: XARNYZYNECWSDC-UHFFFAOYSA-N
norman_susdat_id: NS00109698
smiles: FC(F)(F)C(F)(F)C(F)(F)CO[Si](Cl)(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6ClF21O3Si/c13-38(35-1-4(14,15)7(20,21)10(26,27)28,36-2-5(16,17)8(22,23)11(29,30)31)37-3-6(18,19)9(24,25)12(32,33)34/h1-3H2


name: 3-Thiazolidineacetic acid, 5-(3-ethyl-2(3H)-benzothiazolylidene)-4-oxo-2-thioxo-
cas: 7570-41-4
chemspiderid: 98739
dtxsid: DTXSID1064744
formula: C14H12N2O3S3
inchikey: JIGTUJHXEHURKA-UHFFFAOYSA-N
norman_susdat_id: NS00037719
pubchem_cid: 109917
smiles: CCn1/c(=C2/SC(=S)N(CC(=O)O)C2=O)/sc2c1cccc2
inchi:
InChI=1S/C14H12N2O3S3/c1-2-15-8-5-3-4-6-9(8)21-13(15)11-12(19)16(7-10(17)18)14(20)22-11/h3-6H,2,7H2,1H3,(H,17,18)/b13-11-


cas: 75722-29-1
dtxsid: DTXSID00997128
formula: C23H20N2O12S3
inchikey: WMBYWSRNLRAHJO-UHFFFAOYSA-L
norman_susdat_id: NS00059776
pubchem_cid: 11970634
name:
Disodium 1-amino-9,10-dihydro-4-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H20N2O12S3.2Na/c1-36-16-7-6-12(10-17(16)38(28,29)9-8-37-40(33,34)35)25-15-11-18(39(30,31)32)21(24)20-19(15)22(26)13-4-2-3-5-14(13)23(20)27;;/h2-7,10-11,25H,8-9,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(OC)C(=C4)S(=O)(=O)CCOS(=O)(=O)[O-]


name: Diclobutrazol
cas: 75736-33-3
chebiid: CHEBI:4506
chemspiderid: 48148
dtxsid: DTXSID2058178
formula: C15H19Cl2N3O1
inchikey: URDNHJIVMYZFRT-UHFFFAOYSA-N
norman_susdat_id: NS00005802
pubchem_cid: 53309
smiles: CC(C)(C)C(O)C(Cc1ccc(Cl)cc1Cl)n1cncn1
inchi:
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3


name: Diisopentyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]succinate
cas: 75743-06-5
dtxsid: DTXSID00338835
formula: C18H26F7NO5
inchikey: VIFUJIXWSIVXKN-UHFFFAOYSA-N
norman_susdat_id: NS00108780
smiles: CC(C)CCOC(=O)CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(C)C
inchi:
InChI=1S/C18H26F7NO5/c1-10(2)5-7-30-13(27)9-12(14(28)31-8-6-11(3)4)26-15(29)16(19,20)17(21,22)18(23,24)25/h10-12H,5-9H2,1-4H3,(H,26,29)


cas: 75747-14-7
chebiid: CHEBI:94756
formula: C31H43N3O8
inchikey: AYUNIORJHRXIBJ-JDHGPBJTSA-N
norman_susdat_id: NS00073655
pubchem_cid: 151069
name:
13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[(prop-2-en-1-yl)amino]-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

inchi:
InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/t17-,19+,24+,25+,27-,29+/m1/s1

smiles:
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O


name: 3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate
cas: 7575-23-7
chemspiderid: 74055
dtxsid: DTXSID1044728
formula: C17H28O8S4
inchikey: JOBBTVPTPXRUBP-UHFFFAOYSA-N
norman_susdat_id: NS00009530
pubchem_cid: 82056
smiles: SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
inchi:
InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2


name: C.I. Solvent Yellow 114
cas: 7576-65-0
chemspiderid: 22650
dtxsid: DTXSID6044729
formula: C18H11N1O3
inchikey: FDTLQXNAPKJJAM-UHFFFAOYSA-N
norman_susdat_id: NS00020027
pubchem_cid: 24228
smiles: Oc1cc2c(cccc2)nc1C1C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C18H11NO3/c20-14-9-10-5-1-4-8-13(10)19-16(14)15-17(21)11-6-2-3-7-12(11)18(15)22/h1-9,15,20H


name: 1,1'-(Propane-1,3-diylbis(oxy))bis(2,4-dinitrobenzene)
cas: 75762-43-5
chemspiderid: 15167279
dtxsid: DTXSID90226656
formula: C15H12N4O10
inchikey: IXBVTQBLDYIPSB-UHFFFAOYSA-N
norman_susdat_id: NS00037723
pubchem_cid: 20551653
smiles: [O-][N+](=O)c1cc(c(OCCCOc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])cc1)[N+](=O)[O-]
inchi:
InChI=1S/C15H12N4O10/c20-16(21)10-2-4-14(12(8-10)18(24)25)28-6-1-7-29-15-5-3-11(17(22)23)9-13(15)19(26)27/h2-5,8-9H,1,6-7H2


name: Antimony tri(octanolate)
cas: 7578-07-6
dtxsid: DTXSID00226682
formula: C8H18O
inchikey: URELSTLGWCZCKA-UHFFFAOYSA-N
norman_susdat_id: NS00047200
pubchem_cid: 957
smiles: [O-]CCCCCCCC.[O-]CCCCCCCC.[O-]CCCCCCCC.[SbH3+3]
inchi:
InChI=1/3C8H17O.Sb.3H/c3*1-2-3-4-5-6-7-8-9;;;;/h3*2-8H2,1H3;;;;/q3*-1;+3;;;/r3C8H17O.H3Sb/c3*1-2-3-4-5-6-7-8-9;/h3*2-8H2,1H3;1H3/q3*-1;+3


name: Sodium N'-1,2-cyclohexanediylbis[N-(carboxymethyl)glycinate
cas: 7578-44-1
formula: C14H22N2O8.xNa
inchikey: ZJCXYLBXLAJBDY-UHFFFAOYSA-L
norman_susdat_id: NS00082849
smiles: OC(=O)CN(CC(=O)O[Na])C1CCCCC1CN(CC(=O)O[Na])C(=O)O
inchi:
InChI=1/C14H22N2O8.2Na/c17-11(18)6-15(7-12(19)20)10-4-2-1-3-9(10)5-16(14(23)24)8-13(21)22;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2


name: 4,4-diphenyl-6-piperidin-1-ylheptan-3-one hydrochloride
cas: 75783-06-1
formula: C24H31NO.ClH
inchikey: DTXPDSQEMZRBBG-UHFFFAOYSA-N
norman_susdat_id: NS00089328
smiles: Cl.CCC(=O)C(CC(C)N1CCCCC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C24H31NO.ClH/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25;/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3;1H


name: Dofamium
cas: 757883-80-0
chemspiderid: 65086
dtxsid: DTXSID70226694
formula: C25H44N3O2
inchikey: UYXUGCPDSUDDGI-UHFFFAOYSA-O
norman_susdat_id: NS00007129
pubchem_cid: 72102
smiles: CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)Nc1ccccc1
inchi:
InChI=1S/C25H43N3O2/c1-5-6-7-8-9-10-11-12-16-19-25(30)27(2)20-21-28(3,4)22-24(29)26-23-17-14-13-15-18-23/h13-15,17-18H,5-12,16,19-22H2,1-4H3/p+1


name: 3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
cas: 75805-17-3
dtxsid: DTXSID00888502
formula: C29H30N2O2
inchikey: HOUWRQXIBSGOHF-UHFFFAOYSA-N
norman_susdat_id: NS00059777
pubchem_cid: 173481
smiles: O=C1OC(C2=CC=C(C=C2)N(CC)CC)(C=3C=CC=CC13)C=4C=5C=CC=CC5N(C4C)CC
inchi:
InChI=1/C29H30N2O2/c1-5-30(6-2)22-18-16-21(17-19-22)29(25-14-10-8-12-23(25)28(32)33-29)27-20(4)31(7-3)26-15-11-9-13-24(26)27/h8-19H,5-7H2,1-4H3


name: Tolrestat
cas: 75820-08-5
chebiid: CHEBI:48549
chemspiderid: 2298256
dtxsid: DTXSID6048834
formula: C16H16Cl1N3O3S1
inchikey: LUBHDINQXIHVLS-UHFFFAOYSA-N
norman_susdat_id: NS00037732
pubchem_cid: 53359
smiles: CC1N(Cc2c1cccc2)NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N
inchi:
InChI=1S/C16H16ClN3O3S/c1-10-13-5-3-2-4-12(13)9-20(10)19-16(21)11-6-7-14(17)15(8-11)24(18,22)23/h2-8,10H,9H2,1H3,(H,19,21)(H2,18,22,23)/t10-/m0/s1


name: Calcium bis[3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-acetate]
cas: 75821-71-5
chebiid: CHEBI:76167
formula: C17H13ClN2O2.1/2Ca
inchikey: CAQGVXNKMLYRMF-UHFFFAOYSA-L
norman_susdat_id: NS00089530
smiles: [Ca+2].[O-]C(=O)Cc1cn(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4cn(nc4c5ccc(Cl)cc5)c6ccccc6
inchi:
InChI=1/2C17H13ClN2O2.Ca/c2*18-14-8-6-12(7-9-14)17-13(10-16(21)22)11-20(19-17)15-4-2-1-3-5-15;/h2*1-9,11H,10H2,(H,21,22);/q;;+2/p-2


name: [(dodecyloxy)methyl]-tris(2-hydroxyethyl)ammonium chloride
cas: 75839-68-8
dtxsid: DTXSID90997218
formula: C19H42NO4
inchikey: WMEYDVWXPJVRMC-UHFFFAOYSA-M
norman_susdat_id: NS00059818
pubchem_cid: 3018617
smiles: [Cl-].OCC[N+](COCCCCCCCCCCCC)(CCO)CCO
inchi:
InChI=1/C19H42NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-18-24-19-20(12-15-21,13-16-22)14-17-23;/h21-23H,2-19H2,1H3;1H/q+1;/p-1


name: Enalapril
cas: 75847-73-3
chebiid: CHEBI:4784
chemspiderid: 4534998
dtxsid: DTXSID5022982
formula: C20H28N2O5
inchikey: GBXSMTUPTTWBMN-XIRDDKMYSA-N
norman_susdat_id: NS00008385
pubchem_cid: 40466924
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O
inchi:
InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1


name: beta-Cyclodextrin
cas: 7585-39-9
chemspiderid: 283949
dtxsid: DTXSID1020358
formula: C42H70O35
inchikey: WHGYBXFWUBPSRW-UHFFFAOYSA-N
norman_susdat_id: NS00008415
pubchem_cid: 320761
inchi:
InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2

smiles:
OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O


name: Gantacurium
cas: 758669-50-0
dtxsid: DTXSID90226772
formula: C53H69ClN2O14
inchikey: ZQLDXCSTJFLRPY-RWBXLJKRSA-N
norman_susdat_id: NS00073673
inchi:
InChI=1S/C53H69ClN2O14/c1-55(19-15-34-26-41(59-3)43(61-5)30-37(34)40(55)23-33-24-45(63-7)51(67-11)46(25-33)64-8)17-13-22-70-53(58)39(54)32-49(57)69-21-14-18-56(2)20-16-35-27-42(60-4)44(62-6)31-38(35)50(56)36-28-47(65-9)52(68-12)48(29-36)66-10/h24-32,40,50H,13-23H2,1-12H3/q+2/b39-32-/t40-,50+,55-,56+/m1/s1

smiles:
COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2


name: Fenfluthrin
cas: 75867-00-4
chemspiderid: 19965913
dtxsid: DTXSID1041972
formula: C15H11Cl2F5O2
inchikey: YATDSXRLIUJOQN-SVRRBLITSA-N
norman_susdat_id: NS00037733
pubchem_cid: 6455515
smiles: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1c(F)c(F)c(F)c(F)c1F
inchi:
InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m0/s1


name: 2-[(2-methyl-1-oxoallyl)oxy]ethyl 2-cyano-3,3-diphenylacrylate
cas: 75872-99-0
dtxsid: DTXSID30997257
formula: C22H19NO4
inchikey: RYKLYVSCHKVVCC-UHFFFAOYSA-N
norman_susdat_id: NS00058906
pubchem_cid: 3018622
smiles: N#CC(C(=O)OCCOC(=O)C(=C)C)=C(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C22H19NO4/c1-16(2)21(24)26-13-14-27-22(25)19(15-23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,1,13-14H2,2H3


name: 4-Chloro-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
cas: 7588-27-4
chemspiderid: 74064
dtxsid: DTXSID80226781
formula: C23H32Cl1N1O2
inchikey: VWWDUUNNMSGWHY-UHFFFAOYSA-N
norman_susdat_id: NS00037735
pubchem_cid: 82066
smiles: CCCCCCCCCCCCNC(=O)c1cc(Cl)c2ccccc2c1O
inchi:
InChI=1S/C23H32ClNO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27)


cas: 75880-28-3
norman_susdat_id: NS00113371
name:
4,4-Methylenediphenyl diisocyanate, oligomeric reaction products with 2,4-diisocyanatodiphenylmethane and [(methylethylene)bis(oxy)]dipropanol


name: Artemotil
cas: 75887-54-6
chebiid: CHEBI:135335
dtxsid: DTXSID40860988
formula: C17H28O5
inchikey: NLYNIRQVMRLPIQ-XQLAAWPRSA-N
norman_susdat_id: NS00070387
pubchem_cid: 3000469
smiles: CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
inchi:
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1


cas: 75888-49-2
dtxsid: DTXSID30882790
norman_susdat_id: NS00109963
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-[1,2,2,2-tetrafluoro-1-[[(2-hydroxyethyl)amino]carbonyl]ethyl]-.omega.-[tetrafluoro(trifluoromethyl)ethoxy]-


name: 4-[(Pentadecafluoroheptyl)oxy]benzoic acid
cas: 75895-47-5
dtxsid: DTXSID30896079
formula: C14H5F15O3
inchikey: SCFGBURIURDZFF-UHFFFAOYSA-N
norman_susdat_id: NS00110075
smiles: OC(=O)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C14H5F15O3/c15-8(16,9(17,18)11(21,22)13(25,26)27)10(19,20)12(23,24)14(28,29)32-6-3-1-5(2-4-6)7(30)31/h1-4H,(H,30,31)


name: 4-[[4-(diethylamino)phenyl]azo]-1-[(4-nitrophenyl)methyl]pyridinium bromide
cas: 75902-86-2
dtxsid: DTXSID40997283
formula: C22H25N5O2
inchikey: SYSMUNIWXNOGPA-UHFFFAOYSA-M
norman_susdat_id: NS00058382
pubchem_cid: 16205316
smiles: [Br-].O=[N+]([O-])C1=CC=C(C=C1)C[N+]2=CC=C(N=NC3=CC=C(C=C3)N(CC)CC)C=C2
inchi:
InChI=1/C22H24N5O2.BrH/c1-3-26(4-2)21-11-7-19(8-12-21)23-24-20-13-15-25(16-14-20)17-18-5-9-22(10-6-18)27(28)29;/h5-16H,3-4,17H2,1-2H3;1H/q+1;/p-1


name: Dipotassium oxybis[(1,1,3,3-tetramethylbutyl)benzenesulphonate]
cas: 75908-83-7
dtxsid: DTXSID70890379
formula: C28H42O7S2
inchikey: CSUZQJZQOMWDTR-UHFFFAOYSA-L
norman_susdat_id: NS00058383
pubchem_cid: 44145531
smiles: [K+].[K+].O=S(=O)([O-])C=1C=CC=C(OC2=CC=CC(=C2C(C)(C)CC(C)(C)C)S(=O)(=O)[O-])C1C(C)(C)CC(C)(C)C
inchi:
InChI=1/C28H42O7S2.2K/c1-25(2,3)17-27(7,8)23-19(13-11-15-21(23)36(29,30)31)35-20-14-12-16-22(37(32,33)34)24(20)28(9,10)18-26(4,5)6;;/h11-16H,17-18H2,1-10H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl isobutyrate
cas: 75908-85-9
dtxsid: DTXSID20888504
formula: C21H24N5O4
inchikey: FUPDULJPZHOYCR-UHFFFAOYSA-N
norman_susdat_id: NS00059821
pubchem_cid: 173488
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C=C1)CCOC(=O)C(C)C
inchi:
InChI=1/C21H23N5O4/c1-16(2)21(27)30-15-14-25(13-3-12-22)19-8-4-17(5-9-19)23-24-18-6-10-20(11-7-18)26(28)29/h4-11,16H,3,13-15H2,1-2H3


name: N1-Butyl-N6-(4-chlorophenyl)-8-hydroxynaphthalene-1,6-disulphonamide
cas: 75935-42-1
chemspiderid: 4675447
dtxsid: DTXSID00226849
formula: C20H21Cl1N2O5S2
inchikey: IMRRSJBOOMBNRC-UHFFFAOYSA-N
norman_susdat_id: NS00037740
pubchem_cid: 5743644
smiles: CCCCNS(=O)(=O)c1cccc2c1c(O)cc(c2)S(=O)(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C20H21ClN2O5S2/c1-2-3-11-22-30(27,28)19-6-4-5-14-12-17(13-18(24)20(14)19)29(25,26)23-16-9-7-15(21)8-10-16/h4-10,12-13,22-24H,2-3,11H2,1H3


name: N1-Butyl-8-hydroxy-N6-phenylnaphthalene-1,6-disulphonamide
cas: 75935-43-2
chemspiderid: 4675448
dtxsid: DTXSID10226850
formula: C20H22N2O5S2
inchikey: CPJZPQGYJGXNTO-UHFFFAOYSA-N
norman_susdat_id: NS00037741
pubchem_cid: 5743645
smiles: CCCCNS(=O)(=O)c1cccc2c1c(O)cc(c2)S(=O)(=O)Nc1ccccc1
inchi:
InChI=1S/C20H22N2O5S2/c1-2-3-12-21-29(26,27)19-11-7-8-15-13-17(14-18(23)20(15)19)28(24,25)22-16-9-5-4-6-10-16/h4-11,13-14,21-23H,2-3,12H2,1H3


name: Disodium 4-acetamidophenyl phosphate
cas: 75966-17-5
dtxsid: DTXSID00997325
formula: C8H10NO5P
inchikey: ZDUWZCWKBAGDSL-UHFFFAOYSA-L
norman_susdat_id: NS00059822
pubchem_cid: 10176997
smiles: [Na+].[Na+].O=C(NC1=CC=C(OP(=O)([O-])[O-])C=C1)C
inchi:
InChI=1/C8H10NO5P.2Na/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;;/h2-5H,1H3,(H,9,10)(H2,11,12,13);;/q;2*+1/p-2


name: 1-benzyl-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide
cas: 75970-53-5
dtxsid: DTXSID30997333
formula: C19H22N4
inchikey: QNSAKENZIKRDGL-UHFFFAOYSA-N
norman_susdat_id: NS00058920
pubchem_cid: 3018630
smiles: Br.Br.N=1C=2C=CC=CC2N(C1NC3CCNCC3)CC=4C=CC=CC4
inchi:
InChI=1/C19H22N4.2BrH/c1-2-6-15(7-3-1)14-23-18-9-5-4-8-17(18)22-19(23)21-16-10-12-20-13-11-16;;/h1-9,16,20H,10-14H2,(H,21,22);2*1H


name: 1-(4-fluorobenzyl)-N-piperidin-4-yl-1H-benzimidazol-2-amine dihydrobromide
cas: 75970-64-8
dtxsid: DTXSID90997334
formula: C19H21FN4
inchikey: IVXYTQSEWOVUDL-UHFFFAOYSA-N
norman_susdat_id: NS00058921
pubchem_cid: 123618
smiles: Br.Br.FC1=CC=C(C=C1)CN2C(=NC=3C=CC=CC32)NC4CCNCC4
inchi:
InChI=1/C19H21FN4.2BrH/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16;;/h1-8,16,21H,9-13H2,(H,22,23);2*1H


name: Norastemizole
cas: 75970-99-9
dtxsid: DTXSID30226877
formula: C19H21FN4
inchikey: SFOVDSLXFUGAIV-UHFFFAOYSA-N
norman_susdat_id: NS00068088
pubchem_cid: 123618
smiles: Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1
inchi:
InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-24-18-4-2-1-3-17(18)23-19(24)22-16-9-11-21-12-10-16/h1-8,16,21H,9-13H2,(H,22,23)


name: 3-(p-nonylphenoxy)propane-1,2-diol
cas: 7598-63-2
formula: C18H30O3
inchikey: IHMSRKRQXGKFCB-UHFFFAOYSA-N
norman_susdat_id: NS00047264
pubchem_cid: 101160
smiles: OCC(O)COC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C18H30O3/c1-2-3-4-5-6-7-8-9-16-10-12-18(13-11-16)21-15-17(20)14-19/h10-13,17,19-20H,2-9,14-15H2,1H3


name: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
cas: 75980-60-8
chemspiderid: 145710
dtxsid: DTXSID4052502
formula: C22H21O2P1
inchikey: VFHVQBAGLAREND-UHFFFAOYSA-N
norman_susdat_id: NS00002047
pubchem_cid: 166480
smiles: Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1
inchi:
InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3


name: Ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)prop-2-enoate
cas: 75988-12-4
dtxsid: DTXSID40896262
formula: C17H16F9NO4S
inchikey: YJYBQFZUOVGCIU-UHFFFAOYSA-N
norman_susdat_id: NS00110435
smiles: CCOC(=O)C(=Cc1ccc(cc1)N(C)C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H16F9NO4S/c1-4-31-13(28)12(9-10-5-7-11(8-6-10)27(2)3)32(29,30)17(25,26)15(20,21)14(18,19)16(22,23)24/h5-9H,4H2,1-3H3


name: 9-H-Perfluorononanoic acid
cas: 76-21-1
chebiid: CHEBI:38399
chemspiderid: 6194
dtxsid: DTXSID50226894
formula: C9H2F16O2
inchikey: RARQGXBOCXOJPM-UHFFFAOYSA-N
norman_susdat_id: NS00011138
pubchem_cid: 6434
smiles: O=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)O
inchi:
InChI=1S/C9H2F16O2/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27/h1H,(H,26,27)


name: Tetrabarbital
cas: 76-23-3
chebiid: CHEBI:134977
formula: C12H20N2O3
inchikey: ZLUNGGZJSQDFPH-UHFFFAOYSA-N
norman_susdat_id: NS00041050
pubchem_cid: 101534
smiles: O=C1NC(=O)C(C(=O)N1)(CC)C(CC)CCC
inchi:
InChI=1/C12H20N2O3/c1-4-7-8(5-2)12(6-3)9(15)13-11(17)14-10(12)16/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17)


name: [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-
cas: 76-24-4
chemspiderid: 6195
dtxsid: DTXSID3058795
formula: C8H6N4O8
inchikey: IWDDXZKCDHOOSF-UHFFFAOYSA-N
norman_susdat_id: NS00037767
pubchem_cid: 6435
smiles: OC1(C(=O)NC(=O)NC1=O)C1(O)C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C8H6N4O8/c13-1-7(19,2(14)10-5(17)9-1)8(20)3(15)11-6(18)12-4(8)16/h19-20H,(H2,9,10,13,14,17)(H2,11,12,15,16,18)


name: Triamcinolone acetonide
cas: 76-25-5
chebiid: CHEBI:71418
chemspiderid: 6196
dtxsid: DTXSID6021371
formula: C24H31F1O6
inchikey: YNDXUCZADRHECN-JNQJZLCISA-N
norman_susdat_id: NS00009342
pubchem_cid: 6436
smiles: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
inchi:
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1


name: Sarmentogenin
cas: 76-28-8
chebiid: CHEBI:37665
chemspiderid: 6197
dtxsid: DTXSID80878643
formula: C23H34O5
inchikey: FLMSQRUGSHIKCT-DDZQJACLSA-N
norman_susdat_id: NS00094829
pubchem_cid: 6437
smiles: C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
inchi:
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-20(21)18(25)11-22(2)16(6-8-23(17,22)27)13-9-19(26)28-12-13/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18-,20-,21+,22-,23+/m1/s1


name: Camphoric anhydride
cas: 76-32-4
formula: C20H30O7
inchikey: SQPKRNMETCYMNE-UHFFFAOYSA-N
norman_susdat_id: NS00041003
pubchem_cid: 21117049
smiles: O=C(O)C1CCC(C(=O)OC(=O)C2(C)CCC(C(=O)O)C2(C)C)(C)C1(C)C
inchi:
InChI=1/C20H30O7/c1-17(2)11(13(21)22)7-9-19(17,5)15(25)27-16(26)20(6)10-8-12(14(23)24)18(20,3)4/h11-12H,7-10H2,1-6H3,(H,21,22)(H,23,24)


name: Oxymorphone
cas: 76-41-5
chemspiderid: 4478
dtxsid: DTXSID5023409
formula: C17H19N1O4
inchikey: UQCNKQCJZOAFTQ-UHFFFAOYSA-N
norman_susdat_id: NS00010424
pubchem_cid: 4639
smiles: CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O
inchi:
InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3


name: Oxycodone
cas: 76-42-6
chemspiderid: 4474
dtxsid: DTXSID5023407
formula: C18H21N1O4
inchikey: BRUQQQPBMZOVGD-UHFFFAOYSA-N
norman_susdat_id: NS00010443
pubchem_cid: 4635
smiles: O=C4C5Oc1c2c(ccc1OC)CC3N(CCC25C3(O)CC4)C
inchi:
InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3


name: Fluoxymestrone
cas: 76-43-7
chebiid: CHEBI:125377
chemspiderid: 3270
dtxsid: DTXSID8033512
formula: C20H29F1O3
inchikey: YLRFCQOZQXIBAB-UHFFFAOYSA-N
norman_susdat_id: NS00004900
pubchem_cid: 3387
smiles: CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C
inchi:
InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3


name: Protoverine
cas: 76-45-9
chebiid: CHEBI:8596
chemspiderid: 391285
dtxsid: DTXSID5023534
formula: C27H43NO9
inchikey: CKJAABZFXLMMCS-MKKPLVDTSA-N
norman_susdat_id: NS00094724
pubchem_cid: 442982
inchi:
InChI=1S/C27H43NO9/c1-11-4-5-14-24(3,34)16-12(10-28(14)9-11)13-8-25-21(26(13,35)22(33)17(16)30)19(32)18(31)20-23(25,2)7-6-15(29)27(20,36)37-25/h11-22,29-36H,4-10H2,1-3H3/t11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1

smiles:
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@@]45O[C@]6(O)[C@@H]([C@@H](O)[C@@H](O)[C@H]4[C@]3(O)[C@@H](O)[C@H](O)[C@@H]1[C@]2(C)O)[C@]5(C)CC[C@@H]6O


name: Hydrocortamate
cas: 76-47-1
chebiid: CHEBI:50851
chemspiderid: 75860
dtxsid: DTXSID1057824
formula: C27H41N1O6
inchikey: FWFVLWGEFDIZMJ-FOMYWIRZSA-N
norman_susdat_id: NS00037795
pubchem_cid: 84088
smiles: CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
inchi:
InChI=1S/C27H41NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h13,19-21,24,30,33H,5-12,14-16H2,1-4H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1


name: Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
cas: 76-50-6
chemspiderid: 19968505
dtxsid: DTXSID20234986
formula: C15H26O2
inchikey: MPYYVGIJHREDBO-YWPYICTPSA-N
norman_susdat_id: NS00113993
pubchem_cid: 23623651
smiles: CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
inchi:
InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1


name: 5-ethyl-5,10-dihydro-10,10-diphenylphenosilazine
cas: 76-51-7
dtxsid: DTXSID3058797
formula: C26H23NSi
inchikey: GAYTWVJPIWOSDS-UHFFFAOYSA-N
norman_susdat_id: NS00041054
pubchem_cid: 66157
smiles: C=1C=CC(=CC1)[Si]2(C=3C=CC=CC3)C=4C=CC=CC4N(C=5C=CC=CC52)CC
inchi:
InChI=1/C26H23NSi/c1-2-27-23-17-9-11-19-25(23)28(21-13-5-3-6-14-21,22-15-7-4-8-16-22)26-20-12-10-18-24(26)27/h3-20H,2H2,1H3


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',7'-dichloro-3',6'-dihydroxy-
cas: 76-54-0
chebiid: CHEBI:51596
chemspiderid: 58471
dtxsid: DTXSID8058798
formula: C20H10Cl2O5
inchikey: VFNKZQNIXUFLBC-UHFFFAOYSA-N
norman_susdat_id: NS00037807
pubchem_cid: 64944
smiles: Oc1cc2c(cc1Cl)C1(OC(=O)c3c1cccc3)c1cc(Cl)c(O)cc1O2
inchi:
InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H


name: Codeine
cas: 76-57-3
chebiid: CHEBI:16714
chemspiderid: 4447447
dtxsid: DTXSID2020341
formula: C18H21N1O3
inchikey: OROGSEYTTFOCAN-DNJOTXNNSA-N
norman_susdat_id: NS00000391
pubchem_cid: 5284371
smiles: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O
inchi:
InChI=1S/C18H21NO3/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,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1


name: Ethylmorphine
cas: 76-58-4
chebiid: CHEBI:4902
chemspiderid: 4514250
dtxsid: DTXSID1046760
formula: C19H23N1O3
inchikey: OGDVEMNWJVYAJL-LEPYJNQMSA-N
norman_susdat_id: NS00008572
pubchem_cid: 5359271
smiles: CCOc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1


name: Bromothymol blue
cas: 76-59-5
chebiid: CHEBI:86155
chemspiderid: 6208
dtxsid: DTXSID3058799
formula: C27H28Br2O5S1
inchikey: NUHCTOLBWMJMLX-UHFFFAOYSA-N
norman_susdat_id: NS00003423
pubchem_cid: 6450
smiles: CC(C)c1cc(c(C)c(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)c(Br)c1C
inchi:
InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3


name: Bromcresol green
cas: 76-60-8
chemspiderid: 6209
dtxsid: DTXSID9044459
formula: C21H14Br4O5S1
inchikey: FRPHFZCDPYBUAU-UHFFFAOYSA-N
norman_susdat_id: NS00007498
pubchem_cid: 6451
smiles: Cc1c(Br)c(O)c(Br)cc1C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1C
inchi:
InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3


name: Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
cas: 76-61-9
chemspiderid: 59008
dtxsid: DTXSID5058800
formula: C27H30O5S1
inchikey: PRZSXZWFJHEZBJ-UHFFFAOYSA-N
norman_susdat_id: NS00005799
pubchem_cid: 65565
smiles: CC(C)c1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
inchi:
InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3


name: 1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-
cas: 76-62-0
chemspiderid: 59012
dtxsid: DTXSID0058801
formula: C20H10Br4O4
inchikey: OBRGVMYQZVQHGO-UHFFFAOYSA-N
norman_susdat_id: NS00037816
pubchem_cid: 65569
smiles: Oc1c(Br)cc(cc1Br)C1(OC(=O)c2c1cccc2)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H


name: Allyltriphenylstannane
cas: 76-63-1
dtxsid: DTXSID70226896
formula: C21H20Sn
inchikey: NDUYAGLANMHJHF-UHFFFAOYSA-N
norman_susdat_id: NS00041055
pubchem_cid: NA
smiles: C=CC[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/3C6H5.C3H5.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;3H,1-2H2;/rC21H20Sn/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h2-17H,1,18H2


name: 5-methyl-4,4-diphenyl-6-piperidinohexan-3-one
cas: 76-64-2
dtxsid: DTXSID30997353
formula: C24H31NO
inchikey: KNIKXRHJCUWYNL-UHFFFAOYSA-N
norman_susdat_id: NS00041056
pubchem_cid: 101535
smiles: O=C(CC)C(C=1C=CC=CC1)(C=2C=CC=CC2)C(C)CN3CCCCC3
inchi:
InChI=1/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)20(2)19-25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3


name: Amolanone
cas: 76-65-3
chebiid: CHEBI:135320
chemspiderid: 6211
formula: C20H23NO2
inchikey: HPITVGRITATAFY-UHFFFAOYSA-N
norman_susdat_id: NS00113976
pubchem_cid: 6453
smiles: CCN(CC)CCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
inchi:
InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3


name: 5-allyl-5-(2-cyclopenten-1-yl)barbituric acid
cas: 76-68-6
chebiid: CHEBI:134951
formula: C12H14N2O3
inchikey: XOVJAYNMQDTIJD-UHFFFAOYSA-N
norman_susdat_id: NS00041057
pubchem_cid: 6454
smiles: O=C1NC(=O)C(C(=O)N1)(CC=C)C2C=CCC2
inchi:
InChI=1/C12H14N2O3/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h2-3,5,8H,1,4,6-7H2,(H2,13,14,15,16,17)


name: Secobarbital
cas: 76-73-3
chebiid: CHEBI:9073
chemspiderid: 5005
dtxsid: DTXSID6044145
formula: C12H18N2O3
inchikey: KQPKPCNLIDLUMF-UHFFFAOYSA-N
norman_susdat_id: NS00010411
pubchem_cid: 5193
smiles: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C
inchi:
InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)


name: Neoquassin
cas: 76-77-7
chebiid: CHEBI:7512
chemspiderid: 65780
dtxsid: DTXSID30878618
formula: C22H30O6
inchikey: BDQNCUODBJZKIY-NUPPOKJBSA-N
norman_susdat_id: NS00006450
pubchem_cid: 72964
smiles: COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
inchi:
InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1


name: Quassin
cas: 76-78-8
chebiid: CHEBI:8692
chemspiderid: 59014
dtxsid: DTXSID30878613
formula: C22H28O6
inchikey: IOSXSVZRTUWBHC-LBTVDEKVSA-N
norman_susdat_id: NS00009926
pubchem_cid: 65571
smiles: COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
inchi:
InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m1/s1


name: Fentin hydroxide
cas: 76-87-9
chebiid: CHEBI:30473
dtxsid: DTXSID1021409
formula: C18H16OSn
inchikey: BFWMWWXRWVJXSE-UHFFFAOYSA-M
norman_susdat_id: NS00041058
pubchem_cid: 9907219
smiles: O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1/rC18H16OSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H


name: Mepenzolate
cas: 76-90-4
chebiid: CHEBI:94411
chemspiderid: 6218
formula: C21H26N1O3
inchikey: GKNPSSNBBWDAGH-UHFFFAOYSA-N
norman_susdat_id: NS00015449
pubchem_cid: 4057
smiles: C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
inchi:
InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1


name: Methadone
cas: 76-99-3
chebiid: CHEBI:167309
chemspiderid: 3953
dtxsid: DTXSID7023273
formula: C21H27N1O1
inchikey: USSIQXCVUWKGNF-UHFFFAOYSA-N
norman_susdat_id: NS00000411
pubchem_cid: 4095
smiles: CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
inchi:
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3


name: 3-[4-(2-{4-[(Oxiran-2-yl)methoxy]phenyl}propan-2-yl)phenoxy]propane-1,2-diol
cas: 76002-91-0
chemspiderid: 132821
dtxsid: DTXSID90997359
formula: C21H26O5
inchikey: NBLIPZBCGXIEFO-UHFFFAOYSA-N
norman_susdat_id: NS00005644
pubchem_cid: 150694
smiles: CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC2CO2)cc1
inchi:
InChI=1S/C21H26O5/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,22-23H,11-14H2,1-2H3


name: Tubocuraranium, 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyl-, diiodide
cas: 7601-55-0
chebiid: CHEBI:6901
dtxsid: DTXSID9022944
formula: C40H48N2O6
inchikey: DIGFQJFCDPKEPF-OIUSMDOTSA-L
norman_susdat_id: NS00046686
pubchem_cid: 24244
inchi:
InChI=1/C40H48N2O6.2HI/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2

smiles:
[I-].[I-].O1C2=CC(=CC=C2OC)CC3C4=C(OC5=CC=C(C=C5)CC6C7=CC1=C(OC)C=C7CC[N+]6(C)C)C(OC)=C(OC)C=C4CC[N+]3(C)C


name: [3-benzofuro[2,3-c][1]benzoxepin-12(6H)-ylidenepropyl]dimethylammonium hydrogen fumarate
cas: 76014-78-3
formula: C21H21NO2
inchikey: CGCXMZJMRNPIRE-WLHGVMLRSA-N
norman_susdat_id: NS00059824
pubchem_cid: NA
smiles: [H+].O=C([O-])C=CC(=O)[O-].O1C=2C=CC=CC2C=3C(=CCC[NH+](C)C)C=4C=CC=CC4OCC13
inchi:
InChI=1/C21H21NO2.C4H4O4.H2/c1-22(2)13-7-10-16-15-8-3-5-11-18(15)23-14-20-21(16)17-9-4-6-12-19(17)24-20;5-3(6)1-2-4(7)8;/h3-6,8-12H,7,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8);1H/q;;+1/p-1


cas: 76028-96-1
chemspiderid: 10655179
dtxsid: DTXSID90544226
formula: C12H18N4O5S1
inchikey: BWCJDZVONAOWHO-UUASQNMZSA-N
norman_susdat_id: NS00037750
pubchem_cid: 13577059
smiles: CC(C)(C)OC(=O)C(C)(C)ON=C(/C(O)=O)C1=NSC(N)=N1
name:
(2Z)-(5-Amino-1,2,4-thiadiazol-3-yl){[(1-tert-butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}acetic acid

inchi:
InChI=1S/C12H18N4O5S/c1-11(2,3)20-9(19)12(4,5)21-15-6(8(17)18)7-14-10(13)22-16-7/h1-5H3,(H,17,18)(H2,13,14,16)/b15-6-


name: N-(4-chlorophenyl)-6,7-dihydroxynaphthalene-2-sulphonamide
cas: 76091-71-9
dtxsid: DTXSID50997416
formula: C16H12ClNO4S
inchikey: BDZFZYIJGYTQJF-UHFFFAOYSA-N
norman_susdat_id: NS00058387
pubchem_cid: 3018635
smiles: O=S(=O)(NC1=CC=C(Cl)C=C1)C2=CC=C3C=C(O)C(O)=CC3=C2
inchi:
InChI=1/C16H12ClNO4S/c17-12-2-4-13(5-3-12)18-23(21,22)14-6-1-10-8-15(19)16(20)9-11(10)7-14/h1-9,18-20H


name: Teneligliptin
cas: 760937-92-6
chebiid: CHEBI:136042
dtxsid: DTXSID30997419
formula: C22H30N6OS
inchikey: WGRQANOPCQRCME-PMACEKPBSA-N
norman_susdat_id: NS00072195
pubchem_cid: 11949652
smiles: Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1
inchi:
InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1


name: Carpetimycin B
cas: 76094-36-5
chemspiderid: 16736112
formula: C14H18N2O9S2
inchikey: GOODEIVATWULQD-RTURPLSVSA-N
norman_susdat_id: NS00011639
pubchem_cid: 6444036
smiles: CC(=O)N/C=C/S(=O)C1=C(N2[C@H](C1)[C@@H](C2=O)C(C)(C)OS(=O)(=O)O)C(=O)O
inchi:
InChI=1S/C14H18N2O9S2/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20/h4-5,8,10H,6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/b5-4+/t8-,10+,26?/m1/s1


name: Hederasaponin D (Hederacoside D)
cas: 760961-03-3
chebiid: CHEBI:69375
chemspiderid: 21630094
formula: C53H86O22
inchikey: UEHILKCNLIKLEV-LXABABOZSA-N
norman_susdat_id: NS00093706
pubchem_cid: 10259282
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O


name: Cem-101
cas: 760981-83-7
formula: C43H65FN6O10
inchikey: IXXFZUPTQVDPPK-ZAWHAJPISA-N
norman_susdat_id: NS00073082
pubchem_cid: 25242512
inchi:
InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1

smiles:
CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C


name: (1S,4R,6R,7R)-(4-nitrophenylmethyl)3-methylene-1-oxo-7-phenylacetamido-cepham-4-carboxylate
cas: 76109-32-5
chemspiderid: 8158341
formula: C23H21N3O7S1
inchikey: GFXMMQGKVWXAND-UHFFFAOYSA-N
norman_susdat_id: NS00006700
pubchem_cid: 9982751
smiles: [O-][N+](=O)c1ccc(COC(=O)C2N3C(C(NC(=O)Cc4ccccc4)C3=O)S(=O)CC2=C)cc1
inchi:
InChI=1S/C23H21N3O7S/c1-14-13-34(32)22-19(24-18(27)11-15-5-3-2-4-6-15)21(28)25(22)20(14)23(29)33-12-16-7-9-17(10-8-16)26(30)31/h2-10,19-20,22H,1,11-13H2,(H,24,27)


name: Trisodium trihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 7611-50-9
formula: C3H12NO9P3.3Na
inchikey: SOBHUZYZLFQYFK-UHFFFAOYSA-H
norman_susdat_id: NS00082526
smiles: [Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.3Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;/q;3*+1/p-6


name: Silver, (6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO3,βO5)-
cas: 76121-99-8
dtxsid: DTXSID10897044
formula: C10H10AgF7O2
inchikey: HBFPETJZCPEQFV-MKWAYWHRSA-M
norman_susdat_id: NS00109460
smiles: [Ag+].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H11F7O2.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h4,18H,1-3H3;/q;+1/p-1/b5-4-;


name: (+)-1,2,3,4,4a,9-hexahydro-2-methyldibenzo[c,f]pyrimido[1,6-a]azepine fumarate
cas: 76134-84-4
formula: C18H20N2
inchikey: GUJPQBJNGCYMEC-WLHGVMLRSA-N
norman_susdat_id: NS00058433
pubchem_cid: 44147908
smiles: O=C(O)C=CC(=O)O.C=1C=CC2=C(C1)N3CN(C)CCC3C=4C=CC=CC4C2
inchi:
InChI=1/C18H20N2.C4H4O4/c1-19-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20(18)13-19;5-3(6)1-2-4(7)8/h2-9,18H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)


cas: 761418-87-5
dtxsid: DTXSID70883064
norman_susdat_id: NS00111356
name:
Poly(difluoromethylene), .alpha.-(2-hydroxyethyl)-.omega.-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-


name: Asp-1941
cas: 761423-87-4
chebiid: CHEBI:134724
formula: C21H21FO5S
inchikey: AHFWIQIYAXSLBA-RQXATKFSSA-N
norman_susdat_id: NS00072296
pubchem_cid: 10453870
smiles: OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1


name: 2-({5-Chloro-2-[2-methoxy-4-(morpholin-4-yl)anilino]pyrimidin-4-yl}amino)-N-methylbenzamide
cas: 761437-28-9
chebiid: CHEBI:91452
dtxsid: DTXSID90433025
formula: C23H25ClN6O3
inchikey: UYJNQQDJUOUFQJ-UHFFFAOYSA-N
norman_susdat_id: NS00071616
pubchem_cid: 9934347
smiles: CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl
inchi:
InChI=1S/C23H25ClN6O3/c1-25-22(31)16-5-3-4-6-18(16)27-21-17(24)14-26-23(29-21)28-19-8-7-15(13-20(19)32-2)30-9-11-33-12-10-30/h3-8,13-14H,9-12H2,1-2H3,(H,25,31)(H2,26,27,28,29)


name: Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 76145-88-5
dtxsid: DTXSID90896515
formula: C11H5F17O4
inchikey: QGEWHUSMIVYAOX-UHFFFAOYSA-N
norman_susdat_id: NS00112181
smiles: CCOC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C11H5F17O4/c1-2-30-3(29)4(12,7(16,17)18)31-11(27,28)6(15,9(22,23)24)32-10(25,26)5(13,14)8(19,20)21/h2H2,1H3


cas: 76145-90-9
dtxsid: DTXSID80508892
formula: C15H5F17N2O2
inchikey: HPWPTXMMPBCRFQ-UHFFFAOYSA-N
norman_susdat_id: NS00111592
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C1=NC2=CC=CC=C2N1)C(F)(F)F
name:
2-{1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]ethyl}-1H-benzimidazole

inchi:
InChI=1S/C15H5F17N2O2/c16-8(11(20,21)22,7-33-5-3-1-2-4-6(5)34-7)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h1-4H,(H,33,34)


name: 2,2,5,5-Tetra(4-hydroxyphenyl)-n-hexane
cas: 7615-24-9
chemspiderid: 10784931
formula: C30H30O4
inchikey: ZAGCVALXKYKLJA-UHFFFAOYSA-N
norman_susdat_id: NS00003859
pubchem_cid: 22041996
smiles: CC(CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C30H30O4/c1-29(21-3-11-25(31)12-4-21,22-5-13-26(32)14-6-22)19-20-30(2,23-7-15-27(33)16-8-23)24-9-17-28(34)18-10-24/h3-18,31-34H,19-20H2,1-2H3


name: Stearic acid, copper salt
cas: 7617-31-4
formula: C18H36O2.xCu
inchikey: YVENFKCVDQUMMA-UHFFFAOYSA-N
norman_susdat_id: NS00082528
smiles: [Cu].OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1


name: 3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
cas: 76172-68-4
dtxsid: DTXSID90997516
formula: C16H16O5
inchikey: YQNPVOBVGNGYHD-UHFFFAOYSA-N
norman_susdat_id: NS00058937
pubchem_cid: 3086055
smiles: O=C(C=1C(O)=CC(O)=CC1O)CCC2=CC=C(OC)C=C2
inchi:
InChI=1/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3


cas: 76186-07-7
formula: C44H35N13O11S3
inchikey: SNOKTOUJNTYKIE-UHFFFAOYSA-N
norman_susdat_id: NS00090025
name:
6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C44H35N13O11S3/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)

smiles:
OS(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S(O)(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S(O)(=O)=O


cas: 76199-85-4
chemspiderid: 4590218
dtxsid: DTXSID7072836
formula: C16H11N5O4
inchikey: ACUPDOXCXXCPIX-LUAWRHEFSA-N
norman_susdat_id: NS00001392
pubchem_cid: 5489883
smiles: CNC(=O)C(C#N)=c1/[nH]c(=C2C(=O)NC(=O)NC2=O)c2ccccc12
name:
Acetamide, 2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methyl-

inchi:
InChI=1S/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5,19H,1H3,(H,18,22)(H2,20,21,23,24,25)/b11-9-


name: Oleic acid, compound with dibutylamine (1:1)
cas: 7620-75-9
formula: C18H34O2.C8H19N
inchikey: FJKPGTVTPYZWCM-KVVVOXFISA-N
norman_susdat_id: NS00082152
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCNCCCC
inchi:
InChI=1/C18H34O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-7-9-8-6-4-2/h9-10H,2-8,11-17H2,1H3,(H,19,20);9H,3-8H2,1-2H3


name: Lithium 12-hydroxystearate
cas: 7620-77-1
formula: C18H36O3.Li
inchikey: FPLIHVCWSXLMPX-UHFFFAOYSA-M
norman_susdat_id: NS00082153
smiles: [Li+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1


name: Trisodium 1,1',1''-nitrilotris(ethanesulphinate)
cas: 7620-98-6
dtxsid: DTXSID80997545
formula: C6H15NO6S3
inchikey: JGWFJGPVQPWRSY-UHFFFAOYSA-K
norman_susdat_id: NS00046755
pubchem_cid: 56841968
smiles: [Na+].[Na+].[Na+].O=S([O-])C(N(C(S(=O)[O-])C)C(S(=O)[O-])C)C
inchi:
InChI=1/C6H15NO6S3.3Na/c1-4(14(8)9)7(5(2)15(10)11)6(3)16(12)13;;;/h4-6H,1-3H3,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3


cas: 76201-56-4
inchikey: TYXCFIBWIZZKIV-UHFFFAOYSA-N
norman_susdat_id: NS00077534
smiles: C[N+](CC(CS(=O)(=O)[O-])O)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C
name:
3-[dimethyl(3-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino}propyl)ammonio]-2-hydroxypropane-1-sulfonate


cas: 76213-48-4
formula: C30H30N2O4SSe
inchikey: QDAWKUJXWZSGKT-UHFFFAOYSA-N
norman_susdat_id: NS00089558
smiles: C[n+]3c4cc(ccc4oc3C=C(CC)C=C2[Se]c1ccccc1N2CCC(C)S([O-])(=O)=O)c5ccccc5
name:
3-methyl-5-phenyl-2-[2-[[3-(3-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzoxazolium

inchi:
InChI=1/C30H30N2O4SSe/c1-4-22(18-29-31(3)26-20-24(14-15-27(26)36-29)23-10-6-5-7-11-23)19-30-32(17-16-21(2)37(33,34)35)25-12-8-9-13-28(25)38-30/h5-15,18-21H,4,16-17H2,1-3H3


cas: 76213-76-8
formula: C20H14Cl2N8O10S3
inchikey: JGHYLRKFEBSKQG-UHFFFAOYSA-N
norman_susdat_id: NS00058963
pubchem_cid: 93646
smiles: O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=CC2S(=O)(=O)O)NC=4N=C(Cl)N=C(Cl)N4
name:
7-[[2-[(aminocarbonyl)amino]-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid

inchi:
InChI=1/C20H14Cl2N8O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,24,26,27,28)


name: N-[2-[(6-chlorobenzothiazol-2-yl)azo]-5-[(2-cyanoethyl)pentylamino]phenyl]acetamide
cas: 76213-94-0
formula: C23H25ClN6OS
inchikey: HMQPYUOIUSLRKH-UHFFFAOYSA-N
norman_susdat_id: NS00058434
pubchem_cid: 15165210
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(Cl)=CC3S2)C(=C1)NC(=O)C)CCCCC
inchi:
InChI=1/C23H25ClN6OS/c1-3-4-5-12-30(13-6-11-25)18-8-10-19(21(15-18)26-16(2)31)28-29-23-27-20-9-7-17(24)14-22(20)32-23/h7-10,14-15H,3-6,12-13H2,1-2H3,(H,26,31)


cas: 762274-49-7
dtxsid: DTXSID20402481
formula: C25H38N4O3
inchikey: JUJIMRZGUBTJRV-NASSWSRMSA-N
norman_susdat_id: NS00069666
pubchem_cid: 4369343
smiles: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
name:
(S)-1-((S)-3,3-Dimethyl-2-((S)-2-(methylamino)propanamido)butanoyl)-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

inchi:
InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1


name: 4-[[4-(benzoylamino)-2-methoxy-5-methylphenyl]azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
cas: 76233-81-3
formula: C32H26N4O4
inchikey: ZHCVURIUBDGMAR-UHFFFAOYSA-N
norman_susdat_id: NS00058964
pubchem_cid: NA
smiles: O=C(NC1=CC(OC)=C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4)C=C1C)C=5C=CC=CC5
inchi:
InChI=1/C32H26N4O4/c1-20-17-27(28(40-2)19-26(20)34-31(38)21-11-5-3-6-12-21)35-36-29-24-16-10-9-13-22(24)18-25(30(29)37)32(39)33-23-14-7-4-8-15-23/h3-19,37H,1-2H3,(H,33,39)(H,34,38)


name: 11ß,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 5-oxo-L-prolinate
cas: 76234-43-0
dtxsid: DTXSID90997576
formula: C26H35NO7
inchikey: OJUIYOJRJPVMNW-XNLKTXQHSA-N
norman_susdat_id: NS00058436
pubchem_cid: 93482810
smiles: O=C1C=C2CCC3C4CCC(O)(C(=O)COC(=O)C5NC(=O)CC5)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C26H35NO7/c1-24-9-7-15(28)11-14(24)3-4-16-17-8-10-26(33,25(17,2)12-19(29)22(16)24)20(30)13-34-23(32)18-5-6-21(31)27-18/h11,16-19,22,29,33H,3-10,12-13H2,1-2H3,(H,27,31)


cas: 76247-40-0
chemspiderid: 8169468
dtxsid: DTXSID60227115
formula: C9H12Cl1N1O5S1
inchi: InChI=1S/C9H12ClNO5S/c1-9(2)7(8(13)16-4-10)11-5(12)3-6(11)17(9,14)15/h6-7H,3-4H2,1-2H3/t6-,7-/m1/s1
inchikey: AKDMNWSBLXHXGL-RQJHMYQMSA-N
norman_susdat_id: NS00037769
pubchem_cid: 9993886
smiles: CC1(C)C(N2C(CC2=O)S1(=O)=O)C(=O)OCCl
name:
Chloromethyl (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide


name: Globularicisin
cas: 76248-14-1
chemspiderid: 21603202
formula: C24H28O11
inchikey: SCIGYBYAZUFDLA-KRQBOUTOSA-N
norman_susdat_id: NS00093933
pubchem_cid: 10235036
smiles:
C1=CC=C(C=C1)/C=CC(=O)OC[C@@]23[C@@H]4[C@@H](C=CO[C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O


name: 1,2,3,4-tetrahydro-8-[2-hydroxy-3-(isopropylamino)propoxy]-1-(3-pyridylcarbonyl)quinoline
cas: 76252-06-7
formula: C21H27N3O3
inchikey: AUIHHZBJBKRDIE-UHFFFAOYSA-N
norman_susdat_id: NS00058700
pubchem_cid: 71147
smiles: O=C(C=1C=NC=CC1)N2C=3C(OCC(O)CNC(C)C)=CC=CC3CCC2
inchi:
InChI=1/C21H27N3O3/c1-15(2)23-13-18(25)14-27-19-9-3-6-16-8-5-11-24(20(16)19)21(26)17-7-4-10-22-12-17/h3-4,6-7,9-10,12,15,18,23,25H,5,8,11,13-14H2,1-2H3


name: Dimethyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
cas: 76258-20-3
dtxsid: DTXSID30997590
formula: C17H17N2O6
inchikey: WLSSRGYMMSQMGL-UHFFFAOYSA-N
norman_susdat_id: NS00058231
pubchem_cid: 529924
smiles: O=C(OC)C1=C(N=C(C(C(=O)OC)=C1C=2C=CC=C(C2)[N+](=O)[O-])C)C
inchi:
InChI=1/C17H16N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8H,1-4H3


name: 4-(2-methylbutyl)phenyl 4'-(2-methylbutyl)[1,1'-biphenyl]-4-carboxylate
cas: 76260-42-9
dtxsid: DTXSID10888513
formula: C29H34O2
inchikey: RHUXKIANICSJAI-UHFFFAOYSA-N
norman_susdat_id: NS00058249
pubchem_cid: 112159
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C=2C=CC(=CC2)C3=CC=C(C=C3)CC(C)CC
inchi:
InChI=1/C29H34O2/c1-5-21(3)19-23-7-11-25(12-8-23)26-13-15-27(16-14-26)29(30)31-28-17-9-24(10-18-28)20-22(4)6-2/h7-18,21-22H,5-6,19-20H2,1-4H3


name: Icos-8-enoic acid
cas: 76261-96-6
dtxsid: DTXSID20700878
formula: C20H38O2
inchikey: INLBKXOFAJTNKG-UHFFFAOYSA-N
norman_susdat_id: NS00076998
smiles: CCCCCCCCCCCC=CCCCCCCC(O)=O
inchi:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-13H,2-11,14-19H2,1H3,(H,21,22)


name: Tecloftalam
cas: 76280-91-6
chebiid: CHEBI:83341
chemspiderid: 48292
dtxsid: DTXSID7058179
formula: C14H5Cl6N1O3
inchikey: ROZUQUDEWZIBHV-UHFFFAOYSA-N
norman_susdat_id: NS00022762
pubchem_cid: 53469
smiles: OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1c(Cl)c(Cl)ccc1
inchi:
InChI=1S/C14H5Cl6NO3/c15-4-2-1-3-5(8(4)16)21-13(22)6-7(14(23)24)10(18)12(20)11(19)9(6)17/h1-3H,(H,21,22)(H,23,24)


name: Geranyl-Pp
cas: 763-10-0
chebiid: CHEBI:17211
dtxsid: DTXSID20862405
formula: C10H20O7P2
inchikey: GVVPGTZRZFNKDS-JXMROGBWSA-N
norman_susdat_id: NS00070404
pubchem_cid: 445995
smiles: CC(C)=CCC/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O
inchi:
InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+


name: (octadecanoato-O)bis(propan-2-olato)aluminium
cas: 7630-84-4
formula: C24H49AlO4
inchikey: LXVDSDPFRBWEFN-UHFFFAOYSA-M
norman_susdat_id: NS00082205
smiles: CCCCCCCCCCCCCCCCCC(=O)O[Al](OC(C)C)OC(C)C
inchi:
InChI=1/C18H36O2.2C3H7O.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4;/h2-17H2,1H3,(H,19,20);2*3H,1-2H3;/q;2*-1;+3/p-1/rC24H49AlO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)29-25(27-22(2)3)28-23(4)5/h22-23H,6-21H2,1-5H3


cas: 763051-92-9
dtxsid: DTXSID40892507
formula: C10HClF20O4S
inchikey: SZVGIJOITCPDPM-UHFFFAOYSA-N
norman_susdat_id: NS00098603
smiles: ClC(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(OC(F)(C(F)(S(=O)(O)=O)F)F)F)F)F)F)F)F)F)F
name:
2-((8-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)oxy)-1,1,2,2-tetrafluoroethanesulfonic acid

inchi:
InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)


name: Sodium N-dodecyl-N-methylglycinate
cas: 7631-98-3
dtxsid: DTXSID70884410
formula: C15H31NO2
inchikey: ADWNFGORSPBALY-UHFFFAOYSA-M
norman_susdat_id: NS00046816
pubchem_cid: NA
smiles: [Na+].O=C([O-])CN(C)CCCCCCCCCCCC
inchi:
InChI=1/C15H31NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(17)18;/h3-14H2,1-2H3,(H,17,18);/q;+1/p-1


name: Olaparib
cas: 763113-22-0
chebiid: CHEBI:83766
dtxsid: DTXSID60917988
formula: C24H23FN4O3
inchikey: FDLYAMZZIXQODN-UHFFFAOYSA-N
norman_susdat_id: NS00072449
pubchem_cid: 23725625
smiles: O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
inchi:
InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)


name: 2-amino-N-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]benzamide
cas: 76315-50-9
dtxsid: DTXSID00997683
formula: C21H24FN3O2
inchikey: XFPZFCWGIZKSNI-UHFFFAOYSA-N
norman_susdat_id: NS00058720
pubchem_cid: 3018651
smiles: O=C(NCCN1CCC(C(=O)C2=CC=C(F)C=C2)CC1)C=3C=CC=CC3N
inchi:
InChI=1/C21H24FN3O2/c22-17-7-5-15(6-8-17)20(26)16-9-12-25(13-10-16)14-11-24-21(27)18-3-1-2-4-19(18)23/h1-8,16H,9-14,23H2,(H,24,27)


name: Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1a,14a,16ß)-
cas: 7633-69-4
dtxsid: DTXSID50997693
formula: C25H39NO6
inchikey: YGWOQCYFFSOYKQ-UHFFFAOYSA-N
norman_susdat_id: NS00047317
pubchem_cid: NA
smiles: O=C(OC1C2CC(OC)C3(O)C4CC5C6(COC)CN(CC)C4C5(C(O)CC6)C(C2)C13)C
inchi:
InChI=1/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-18(28)24-15-8-14-9-19(31-4)25(29,16(22(24)26)10-17(23)24)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3


name: Altanserin
cas: 76330-71-7
chebiid: CHEBI:2613
formula: C22H22FN3O2S
inchikey: SMYALUSCZJXWHG-UHFFFAOYSA-N
norman_susdat_id: NS00089942
smiles: Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2
inchi:
InChI=1/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)


name: Isopropyl [2-(thiazol-4-yl)-1H-benzimidazol-5-yl]carbamate monohydrochloride
cas: 76345-76-1
formula: C14H14N4O2S.ClH
inchikey: KHOHHQHXCWDDFA-UHFFFAOYSA-N
norman_susdat_id: NS00089479
smiles: Cl.CC(C)OC(=O)Nc1ccc2[nH]c(nc2c1)c3cscn3
inchi:
InChI=1/C14H14N4O2S.ClH/c1-8(2)20-14(19)16-9-3-4-10-11(5-9)18-13(17-10)12-6-21-7-15-12;/h3-8H,1-2H3,(H,16,19)(H,17,18);1H


name: 5-Acetamido-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~-methylbenzene-1,3-dicarboxamide
cas: 76350-28-2
chemspiderid: 23976724
dtxsid: DTXSID70675800
formula: C17H22I3N3O7
inchikey: USZSPRUWTHXRRB-UHFFFAOYSA-N
norman_susdat_id: NS00009767
pubchem_cid: 46781145
smiles: CN(CC(O)CO)C(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)NCC(O)CO)c1I
inchi:
InChI=1S/C17H22I3N3O7/c1-7(26)22-15-13(19)10(16(29)21-3-8(27)5-24)12(18)11(14(15)20)17(30)23(2)4-9(28)6-25/h8-9,24-25,27-28H,3-6H2,1-2H3,(H,21,29)(H,22,26)


name: EDTA calcium sodium
cas: 76353-66-7
dtxsid: DTXSID20227212
formula: C30H36Ca4N6Na4O24
inchikey: ZAVXXBAIPSQJGS-UHFFFAOYSA-B
norman_susdat_id: NS00076220
inchi:
InChI=1S/3C10H16N2O8.4Ca.4Na/c3*13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;;;;;/h3*1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;;;;;/q;;;4*+2;4*+1/p-12

smiles:
[Na+].[Na+].[Na+].[Na+].[Ca++].[Ca++].[Ca++].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O.[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O


name: Tin stearate
cas: 7637-13-0
formula: C18H36O2.xSn
inchikey: JFOJYGMDZRCSPA-UHFFFAOYSA-J
norman_susdat_id: NS00082570
inchi:
InChI=1/4C18H36O2.Sn/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h4*2-17H2,1H3,(H,19,20);/q;;;;+4/p-4

smiles:
[Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]


name: N-[2-[(2-aminoethyl)amino]ethyl]myristamide
cas: 76371-04-5
dtxsid: DTXSID50997754
formula: C18H39N3O
inchikey: VEARCFDPCWJRGD-UHFFFAOYSA-N
norman_susdat_id: NS00058251
pubchem_cid: 3018653
smiles: O=C(NCCNCCN)CCCCCCCCCCCCC
inchi:
InChI=1/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)21-17-16-20-15-14-19/h20H,2-17,19H2,1H3,(H,21,22)


name: 7-(diethylamino)-1,3-dihydroxyphenoxazin-5-ium chloride
cas: 76372-58-2
dtxsid: DTXSID30997757
formula: C16H17N2O3
inchikey: YOTLTXHBWCQXLD-UHFFFAOYSA-M
norman_susdat_id: NS00059667
pubchem_cid: NA
smiles: [Cl-].OC=1C=C(O)C2=NC3=CC=C(C=C3[O+]=C2C1)N(CC)CC
inchi:
InChI=1/C16H16N2O3.ClH/c1-3-18(4-2)10-5-6-12-14(7-10)21-15-9-11(19)8-13(20)16(15)17-12;/h5-9H,3-4H2,1-2H3,(H-,19,20);1H


name: 2,6,7-Trihydroxy-9-(3-pyridyl)-3H-xanthen-3-one
cas: 7638-44-0
chemspiderid: 74089
dtxsid: DTXSID20227217
formula: C18H11N1O5
inchikey: LIDNLMKOIYMWGI-UHFFFAOYSA-N
norman_susdat_id: NS00037776
pubchem_cid: 82093
smiles: Oc1cc2c(cc1O)c(c1cnccc1)c1cc(O)c(=O)cc1o2
inchi:
InChI=1S/C18H11NO5/c20-12-4-10-16(6-14(12)22)24-17-7-15(23)13(21)5-11(17)18(10)9-2-1-3-19-8-9/h1-8,20-22H


name: Dec-1-enylsuccinic acid
cas: 76386-11-3
formula: C14H24O4
inchikey: HLOQHECIPXZHSX-UHFFFAOYSA-N
norman_susdat_id: NS00058703
pubchem_cid: 3018654
smiles: O=C(O)CC(C=CCCCCCCCC)C(=O)O
inchi:
InChI=1/C14H24O4/c1-2-3-4-5-6-7-8-9-10-12(14(17)18)11-13(15)16/h9-10,12H,2-8,11H2,1H3,(H,15,16)(H,17,18)


name: Tetradec-1-enylsuccinic acid
cas: 76386-13-5
formula: C44H78O4
inchikey: YTGZPTLXOCEJMG-UHFFFAOYSA-N
norman_susdat_id: NS00058252
pubchem_cid: NA
smiles: O=C(O)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(C=CCCCCCCCC)(C=CCCCCCCCC)C(=O)O
inchi:
InChI=1/C44H78O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h33-40H,5-32H2,1-4H3,(H,45,46)(H,47,48)


name: 1,4-Bis((2,6-dimethylphenyl)amino)anthraquinone
cas: 7639-96-5
chemspiderid: 74090
dtxsid: DTXSID50227220
formula: C30H26N2O2
inchikey: ROXADXZZIZDALU-UHFFFAOYSA-N
norman_susdat_id: NS00037778
pubchem_cid: 82094
smiles: Cc1cccc(C)c1Nc1ccc(Nc2c(C)cccc2C)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C30H26N2O2/c1-17-9-7-10-18(2)27(17)31-23-15-16-24(32-28-19(3)11-8-12-20(28)4)26-25(23)29(33)21-13-5-6-14-22(21)30(26)34/h5-16,31-32H,1-4H3


name: 2,3-dihydro-6,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
cas: 76397-85-8
dtxsid: DTXSID10997770
formula: C16H14O5
inchikey: PZSNGTWDLWGBMP-UHFFFAOYSA-N
norman_susdat_id: NS00058704
pubchem_cid: 173513
smiles: O=C1C2=CC(O)=C(O)C=C2OCC1C3=CC=C(OC)C=C3
inchi:
InChI=1/C16H14O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-7,12,17-18H,8H2,1H3


