# cl_id

name: 5-Methyl-N-(2-(4-sulfamoylphenyl)ethyl)pyrazine-2-carboxamide
cas: 33288-71-0
chemspiderid: 8059224
dtxsid: DTXSID00186914
formula: C14H16N4O3S1
inchikey: IMEZLHZLIANIAS-UHFFFAOYSA-N
norman_susdat_id: NS00029451
pubchem_cid: 9883549
smiles: Cc1ncc(nc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)N
inchi:
InChI=1S/C14H16N4O3S/c1-10-8-18-13(9-17-10)14(19)16-7-6-11-2-4-12(5-3-11)22(15,20)21/h2-5,8-9H,6-7H2,1H3,(H,16,19)(H2,15,20,21)


name: 1-(3,3-diphenylpropyl)piperidinium chloride
cas: 3329-14-4
formula: C20H25N.ClH
inchikey: KNTZUVDGULKCPO-UHFFFAOYSA-N
norman_susdat_id: NS00083388
smiles: [Cl-].C(C[NH+]1CCCCC1)C(c2ccccc2)c3ccccc3
inchi:
InChI=1/C20H25N.ClH/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1-2,4-7,10-13,20H,3,8-9,14-17H2;1H


name: Sodium 5-(2-bromoallyl)-5-isopropyl-1-methylbarbiturate
cas: 3329-16-6
dtxsid: DTXSID50954928
formula: C11H15BrN2O3
inchikey: OJFQAJVRMVQQHN-UHFFFAOYSA-M
norman_susdat_id: NS00048961
pubchem_cid: 18735
smiles: [Na+].O=C1N=C([O-])N(C(=O)C1(CC(Br)=C)C(C)C)C
inchi:
InChI=1/C11H15BrN2O3.Na/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16;/h6H,3,5H2,1-2,4H3,(H,13,15,17);/q;+1/p-1


cas: 332912-47-7
dtxsid: DTXSID60882985
norman_susdat_id: NS00110997
name:
N-Methyl-1-butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-, salts with benzene-chlorine-sulfurchloride reaction products


name: 3-(2,6-dibromo-4-{2-[3,5-dibromo-4-(2-methoxyethoxy)phenyl]propan-2-yl}phenoxy)propan-1-ol
cas: 33294-14-3
chemspiderid: 2341615
formula: C21H24Br4O4
inchikey: UTMWVHZWNKBNKF-UHFFFAOYSA-N
norman_susdat_id: NS00010116
pubchem_cid: 3084574
smiles: COCCOc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OCCCO)c(Br)c1
inchi:
InChI=1S/C21H24Br4O4/c1-21(2,13-9-15(22)19(16(23)10-13)28-6-4-5-26)14-11-17(24)20(18(25)12-14)29-8-7-27-3/h9-12,26H,4-8H2,1-3H3


name: 2H-Perfluoro(5,8-dimethyl-3,6,9-trioxadodecane)
cas: 3330-16-3
chemspiderid: 93035
dtxsid: DTXSID10880193
formula: C11H1F23O3
inchikey: QRLOKTBZZPZAMX-UHFFFAOYSA-N
norman_susdat_id: NS00018942
pubchem_cid: 102983
smiles: FC(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H


name: Sodium 5-(2-bromoallyl)-5-(sec-pentyl)barbiturate
cas: 3330-46-9
formula: C12H17BrN2O3.Na
inchikey: PJXYUBAEEYRXTO-UHFFFAOYSA-M
norman_susdat_id: NS00083389
smiles: CCCC(C)C1(CC(=C)Br)C(=O)NC(=NC1=O)O[Na]
inchi:
InChI=1/C12H17BrN2O3.Na/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17;/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1


name: Benzyl L-ornithine di(4-toluenesulphonate)
cas: 33303-49-0
chemspiderid: 34997867
dtxsid: DTXSID70186926
formula: C12H18N2O2
inchikey: IUNSCWXAJURFKJ-IDMXKUIJSA-N
norman_susdat_id: NS00029452
pubchem_cid: 56843075
smiles: Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.NCCCC(N)C(=O)OCc1ccccc1
inchi:
InChI=1S/C12H18N2O2/c13-8-4-7-11(14)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,13-14H2/t11-/m0/s1


name: 1,4-Diamino-2-(2-methoxyethoxy)anthraquinone
cas: 33304-48-2
chemspiderid: 105849
dtxsid: DTXSID30186927
formula: C17H16N2O4
inchikey: SSIWUKJNWMCECS-UHFFFAOYSA-N
norman_susdat_id: NS00029453
pubchem_cid: 118430
smiles: COCCOc1cc(N)c2C(=O)c3c(cccc3)C(=O)c2c1N
inchi:
InChI=1S/C17H16N2O4/c1-22-6-7-23-12-8-11(18)13-14(15(12)19)17(21)10-5-3-2-4-9(10)16(13)20/h2-5,8H,6-7,18-19H2,1H3


name: N-(tert-butoxycarbonyl)-4-nitro-3-phenyl-L-alanine
cas: 33305-77-0
formula: C14H18N2O6
inchikey: XBQADBXCNQPHHY-UHFFFAOYSA-N
norman_susdat_id: NS00054581
pubchem_cid: 118071
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC1=CC=C(C=C1)N(=O)=O
inchi:
InChI=1/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)


name: 9,10-Dihydrobenzo[a]pyren-7(8H)-one
cas: 3331-46-2
chemspiderid: 86406
dtxsid: DTXSID1049271
formula: C20H14O1
inchikey: AIGDHFJPKNZUOR-UHFFFAOYSA-N
norman_susdat_id: NS00029457
pubchem_cid: 95717
smiles: O=C1CCCc2c3ccc4cccc5ccc(cc12)c3c45
inchi:
InChI=1S/C20H14O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11H,2,5-6H2


name: 11ÃŸ,17-dihydroxypregna-1,4-diene-3,20-dione 21-[(6-carboxycyclohex-3-en-1-yl)formate]
cas: 3331-71-3
chemspiderid: 21171880
formula: C29H36O8
inchikey: VNGWBSXDGQZSFL-UHFFFAOYSA-N
norman_susdat_id: NS00029459
pubchem_cid: NA
smiles: CC12CC(C3C(C1CCC2(C(=O)COC(=O)C4CC=CCC4C(=O)O)O)CCC5=CC(=O)C=CC35C)O
inchi:
InChI=1S/C29H36O8/c1-27-11-9-17(30)13-16(27)7-8-20-21-10-12-29(36,28(21,2)14-22(31)24(20)27)23(32)15-37-26(35)19-6-4-3-5-18(19)25(33)34/h3-4,9,11,13,18-22,24,31,36H,5-8,10,12,14-15H2,1-2H3,(H,33,34)/t18-,19+,20+,21+,22+,24+,27+,28+,29-/m1/s1


name: N-(2-Benzoyl-4-nitrophenyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetamide
cas: 33311-76-1
chemspiderid: 105852
dtxsid: DTXSID40186933
formula: C23H15N3O6
inchikey: LOSQQICCFSLPSF-UHFFFAOYSA-N
norman_susdat_id: NS00029455
pubchem_cid: 118433
smiles: [O-][N+](=O)c1ccc(NC(=O)CN2C(=O)c3c(cccc3)C2=O)c(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C23H15N3O6/c27-20(13-25-22(29)16-8-4-5-9-17(16)23(25)30)24-19-11-10-15(26(31)32)12-18(19)21(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)


name: Propanamide, 3,3'-dithiobis[N-octyl-
cas: 33312-01-5
chemspiderid: 105853
dtxsid: DTXSID6067759
formula: C22H44N2O2S2
inchikey: NQSLUQLRQBLHJD-UHFFFAOYSA-N
norman_susdat_id: NS00029456
pubchem_cid: 118434
smiles: CCCCCCCCNC(=O)CCSSCCC(=O)NCCCCCCCC
inchi:
InChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26)


name: 6-[methyl[(3-nitrophenyl)sulphonyl]amino]hexanoic acid
cas: 33317-49-6
dtxsid: DTXSID90954947
formula: C13H19N2O6S
inchikey: FNZCXSFVSXSDFY-UHFFFAOYSA-N
norman_susdat_id: NS00054142
pubchem_cid: 21119776
smiles: O=C(O)CCCCCN(C)S(=O)(=O)C=1C=CC=C(C1)[N+](=O)[O-]
inchi:
InChI=1/C13H18N2O6S/c1-14(9-4-2-3-8-13(16)17)22(20,21)12-7-5-6-11(10-12)15(18)19/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)


name: [S-(R*,S*)]-a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl acetate
cas: 33318-28-4
dtxsid: DTXSID10954949
formula: C21H27NO2
inchikey: WPOZMXNNOJHTDY-UHFFFAOYSA-N
norman_susdat_id: NS00054632
pubchem_cid: 118072
smiles: O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN(C)C)C
inchi:
InChI=1/C21H27NO2/c1-17(16-22(3)4)21(24-18(2)23,20-13-9-6-10-14-20)15-19-11-7-5-8-12-19/h5-14,17H,15-16H2,1-4H3


name: 7-(2H-naphtho[1,2-d]triazol-2-yl)-3-phenyl-2-benzopyrone
cas: 3333-62-8
dtxsid: DTXSID6025698
formula: C25H15N3O2
inchikey: ZHMDPDYBWDMLGE-UHFFFAOYSA-N
norman_susdat_id: NS00049544
pubchem_cid: 633683
smiles: O=C1OC=2C=C(C=CC2C=C1C=3C=CC=CC3)N4N=C5C=CC6=CC=CC=C6C5=N4
inchi:
InChI=1/C25H15N3O2/c29-25-21(16-6-2-1-3-7-16)14-18-10-12-19(15-23(18)30-25)28-26-22-13-11-17-8-4-5-9-20(17)24(22)27-28/h1-15H


name: Dimethyltubocurarinium chloride
cas: 33335-58-9
formula: C40H48N2O6.2Cl
inchikey: IRPSJVWFSWAZSZ-OIUSMDOTSA-L
norman_susdat_id: NS00087371
inchi:
InChI=1/C40H48N2O6.2ClH/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:
[Cl-].[Cl-].COc1ccc2C[C@@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4Oc5ccc(C[C@H]6c7cc(Oc1c2)c(OC)cc7CC[N+]6(C)C)cc5


name: Disodium [[4-(acetylamino)phenyl]amino]amino-9,10-dihydro-9,10-dioxoanthracenedisulphonate
cas: 33340-33-9
dtxsid: DTXSID20954970
formula: C22H17N3O9S2
inchikey: GRJQQBBRSHQZFG-UHFFFAOYSA-L
norman_susdat_id: NS00054583
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C=3C1=CC(NNC4=CC=C(C=C4)NC(=O)C)=C(C3S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C22H17N3O9S2.2Na/c1-11(26)23-12-6-8-13(9-7-12)24-25-17-10-16-18(22(36(32,33)34)21(17)35(29,30)31)20(28)15-5-3-2-4-14(15)19(16)27;;/h2-10,24-25H,1H3,(H,23,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: Gliquidone
cas: 33342-05-1
chebiid: CHEBI:93416
chemspiderid: 82719
dtxsid: DTXSID4023096
formula: C27H33N3O6S1
inchikey: LLJFMFZYVVLQKT-UHFFFAOYSA-N
norman_susdat_id: NS00007815
pubchem_cid: 91610
smiles: COc1ccc2c(c1)C(=O)N(CCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)C(=O)C2(C)C
inchi:
InChI=1S/C27H33N3O6S/c1-27(2)23-14-11-20(36-3)17-22(23)24(31)30(25(27)32)16-15-18-9-12-21(13-10-18)37(34,35)29-26(33)28-19-7-5-4-6-8-19/h9-14,17,19H,4-8,15-16H2,1-3H3,(H2,28,29,33)


cas: 33363-87-0
formula: C47H36N14O6S
inchikey: IBIAVNBCJHHLAE-UHFFFAOYSA-L
norman_susdat_id: NS00054584
pubchem_cid: NA
name:
Disodium 5-[[4'-[[4-[[diamino[[3-[(2,4-diaminophenyl)azo]phenyl]azo]phenyl]azo]sulphonato-1-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C47H36N14O6S.2Na/c48-28-12-18-38(37(49)22-28)57-55-31-4-3-5-32(23-31)56-58-39-19-20-40(45(51)44(39)50)59-60-41-25-43(68(65,66)67)46(35-7-2-1-6-34(35)41)61-53-30-15-10-27(11-16-30)26-8-13-29(14-9-26)52-54-33-17-21-42(62)36(24-33)47(63)64;;/h1-25,62H,48-51H2,(H,63,64)(H,65,66,67);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C=5C=CC=CC5C(N=NC6=CC=C(N=NC=7C=CC=C(N=NC8=CC=C(N)C=C8N)C7)C(N)=C6N)=CC4S(=O)(=O)[O-])C=C3)=CC=C1O


name: Ethyl 5-(4-chlorobenzoyl)-3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
cas: 33369-27-6
chemspiderid: 105880
dtxsid: DTXSID30186982
formula: C20H22Cl1N1O5
inchikey: NXCXUUSRXIDGRA-UHFFFAOYSA-N
norman_susdat_id: NS00029469
pubchem_cid: 118461
smiles: CCOC(=O)Cc1c(C(=O)OCC)c(C)c(n1C)C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C20H22ClNO5/c1-5-26-16(23)11-15-17(20(25)27-6-2)12(3)18(22(15)4)19(24)13-7-9-14(21)10-8-13/h7-10H,5-6,11H2,1-4H3


name: 3-Carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid
cas: 33369-28-7
chemspiderid: 105881
dtxsid: DTXSID90186983
formula: C16H14Cl1N1O5
inchikey: DPCBHULRLBCPAE-UHFFFAOYSA-N
norman_susdat_id: NS00029470
pubchem_cid: 118462
smiles: Cn1c(CC(=O)O)c(C(=O)O)c(C)c1C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C16H14ClNO5/c1-8-13(16(22)23)11(7-12(19)20)18(2)14(8)15(21)9-3-5-10(17)6-4-9/h3-6H,7H2,1-2H3,(H,19,20)(H,22,23)


name: Ethyl 3-carboxy-5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
cas: 33369-29-8
chemspiderid: 13410002
dtxsid: DTXSID50186984
formula: C18H18Cl1N1O5
inchikey: XIUGDICADCHKIA-UHFFFAOYSA-N
norman_susdat_id: NS00029471
pubchem_cid: 13341685
smiles: CCOC(=O)Cc1c(C(=O)O)c(C)c(n1C)C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C18H18ClNO5/c1-4-25-14(21)9-13-15(18(23)24)10(2)16(20(13)3)17(22)11-5-7-12(19)8-6-11/h5-8H,4,9H2,1-3H3,(H,23,24)


name: Ethyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
cas: 33369-30-1
chemspiderid: 105882
dtxsid: DTXSID10186985
formula: C17H18Cl1N1O3
inchikey: AGKFMUXEONTGAH-UHFFFAOYSA-N
norman_susdat_id: NS00029472
pubchem_cid: 118463
smiles: CCOC(=O)Cc1cc(C)c(n1C)C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C17H18ClNO3/c1-4-22-15(20)10-14-9-11(2)16(19(14)3)17(21)12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3


name: Zomepirac
cas: 33369-31-2
chebiid: CHEBI:35859
chemspiderid: 5531
dtxsid: DTXSID9023754
formula: C15H14Cl1N1O3
inchikey: ZXVNMYWKKDOREA-UHFFFAOYSA-N
norman_susdat_id: NS00003889
pubchem_cid: 5733
smiles: Cc1cc(CC(O)=O)n(C)c1C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C15H14ClNO3/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)


name: Ethyl 5-(4-chlorobenzoyl)-a,1,4-trimethyl-1H-pyrrole-2-acetate
cas: 33369-43-6
dtxsid: DTXSID60954994
formula: C18H20ClNO3
inchikey: GYRBPBBVYDCYPC-UHFFFAOYSA-N
norman_susdat_id: NS00054621
pubchem_cid: 118464
smiles: O=C(C1=CC=C(Cl)C=C1)C2=C(C=C(N2C)C(C(=O)OCC)C)C
inchi:
InChI=1/C18H20ClNO3/c1-5-23-18(22)12(3)15-10-11(2)16(20(15)4)17(21)13-6-8-14(19)9-7-13/h6-10,12H,5H2,1-4H3


name: Butoxyethyl butyl phthalate
cas: 33374-28-6
chemspiderid: 33477
dtxsid: DTXSID80186997
formula: C18H26O5
inchikey: SAZHSGVMQSGJTQ-UHFFFAOYSA-N
norman_susdat_id: NS00029478
pubchem_cid: 36426
smiles: CCCCOCCOC(=O)c1ccccc1C(=O)OCCCC
inchi:
InChI=1S/C18H26O5/c1-3-5-11-21-13-14-23-18(20)16-10-8-7-9-15(16)17(19)22-12-6-4-2/h7-10H,3-6,11-14H2,1-2H3


name: Tesetaxel
cas: 333754-36-2
dtxsid: DTXSID00870326
formula: C46H60FN3O13
inchikey: MODVSQKJJIBWPZ-VLLPJHQWSA-N
norman_susdat_id: NS00073480
pubchem_cid: 6918574
inchi:
InChI=1S/C46H60FN3O13/c1-24-28(58-40(54)34(52)33(32-27(47)17-14-20-48-32)49-41(55)63-42(3,4)5)21-46(56)38(61-39(53)26-15-12-11-13-16-26)36-44(8,19-18-29-45(36,23-57-29)62-25(2)51)37-35(31(24)43(46,6)7)59-30(60-37)22-50(9)10/h11-17,20,28-30,33-38,52,56H,18-19,21-23H2,1-10H3,(H,49,55)/t28-,29+,30+,33-,34+,35+,36-,37+,38-,44+,45-,46+/m0/s1

smiles:
CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C


name: Didecylbenzene
cas: 33377-22-9
chemspiderid: 2283752
dtxsid: DTXSID00187002
formula: C26H46
inchikey: FVEVOEHPSHPIOH-UHFFFAOYSA-N
norman_susdat_id: NS00029482
pubchem_cid: 3015657
smiles: CCCCCCCCCCc1c(CCCCCCCCCC)cccc1
inchi:
InChI=1S/C26H46/c1-3-5-7-9-11-13-15-17-21-25-23-19-20-24-26(25)22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22H2,1-2H3


cas: 333784-44-4
dtxsid: DTXSID90897608
norman_susdat_id: NS00112223
name:
2-Propenoic acid, 2-methyl-, 3-chloro-2-hydroxypropyl ester, polymers with 2,3-dihydroxypropyl methacrylate, γ-ω-perfluoro-C8-16-alkyl acrylate, polyethylene glycol methacrylate Me ether and polypropylene glycol monomethacrylate


cas: 333784-46-6
dtxsid: DTXSID00897619
norman_susdat_id: NS00109110
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymers with maleic anhydride, 2-[[(2-mercaptoethoxy)carbonyl]amino]ethyl methacrylate, γ-ω-perfluoro-C8-16-alkyl acrylate and stearyl methacrylate


name: tert-butyl (S)-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-3-[[(phenylmethoxy)carbonyl]amino]butyrate
cas: 3338-32-7
dtxsid: DTXSID00955001
formula: C20H24N2O8
inchikey: JUMSBOKRGDETHL-AWEZNQCLSA-N
norman_susdat_id: NS00049141
pubchem_cid: 11026196
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)CC(=O)OC(C)(C)C
inchi:
InChI=1/C20H24N2O8/c1-20(2,3)29-17(25)11-14(18(26)30-22-15(23)9-10-16(22)24)21-19(27)28-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)


name: Buspirone hydrochloride
cas: 33386-08-2
chebiid: CHEBI:3224
dtxsid: DTXSID1037193
formula: C21H32ClN5O2
inchikey: RICLFGYGYQXUFH-UHFFFAOYSA-N
norman_susdat_id: NS00076188
smiles: Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1
inchi:
InChI=1S/C21H31N5O2.ClH/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20;/h5,8-9H,1-4,6-7,10-17H2;1H


name: [isopropylidenebis(p-phenyleneoxy)]dipropanol
cas: 33393-97-4
formula: C21H28O4
inchikey: SRFJEIMVZGBIMC-UHFFFAOYSA-N
norman_susdat_id: NS00054623
pubchem_cid: 22352794
smiles: OC(OC1=CC=C(C=C1)C(C2=CC=C(OC(O)CC)C=C2)(C)C)CC
inchi:
InChI=1/C21H28O4/c1-5-19(22)24-17-11-7-15(8-12-17)21(3,4)16-9-13-18(14-10-16)25-20(23)6-2/h7-14,19-20,22-23H,5-6H2,1-4H3


name: meproscillarin
cas: 33396-37-1
chemspiderid: 33504
formula: C31H44O8
inchikey: RKWPZPDLTYBKCL-IEEWMSQCSA-N
norman_susdat_id: NS00004704
pubchem_cid: 36455
smiles: CO[C@H]1C(C)O[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c2ccc(=O)oc2)C(O)C1O
inchi:
InChI=1S/C31H44O8/c1-17-27(36-4)25(33)26(34)28(38-17)39-20-9-12-29(2)19(15-20)6-7-23-22(29)10-13-30(3)21(11-14-31(23,30)35)18-5-8-24(32)37-16-18/h5,8,15-17,20-23,25-28,33-35H,6-7,9-14H2,1-4H3/t17?,20-,21+,22?,23?,25?,26?,27-,28+,29-,30+,31-/m0/s1


name: Cobiprostone
cas: 333963-42-1
dtxsid: DTXSID80187025
formula: C21H34F2O5
inchikey: SDDSJMXGJNWMJY-BRHAQHMBSA-N
norman_susdat_id: NS00071910
smiles: CC[C@H](C)CC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
inchi:
InChI=1S/C21H34F2O5/c1-3-14(2)13-20(22,23)21(27)11-10-16-15(17(24)12-18(16)28-21)8-6-4-5-7-9-19(25)26/h14-16,18,27H,3-13H2,1-2H3,(H,25,26)/t14-,15+,16+,18+,21+/m0/s1


name: Bromfenvinphos
cas: 33399-00-7
chemspiderid: 4812092
dtxsid: DTXSID1058056
formula: C12H14Br1Cl2O4P1
inchikey: ORDKAVSHIKNMAN-XYOKQWHBSA-N
norman_susdat_id: NS00006122
pubchem_cid: 6108489
smiles: CCOP(=O)(OCC)OC(=CBr)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+


name: Ethyl [2-amino-6-[(1,2-diphenylethyl)amino]pyridin-3-yl]carbamate monohydrochloride
cas: 33400-47-4
dtxsid: DTXSID00955026
formula: C22H24N4O2
inchikey: XQWVQRJTEUTZRV-UHFFFAOYSA-N
norman_susdat_id: NS00054230
pubchem_cid: 198129
smiles: Cl.O=C(OCC)NC=1C=CC(=NC1N)NC(C=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C22H24N4O2.ClH/c1-2-28-22(27)25-18-13-14-20(26-21(18)23)24-19(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16;/h3-14,19H,2,15H2,1H3,(H,25,27)(H3,23,24,26);1H


name: N-[3-(trimethoxysilyl)propyl]-N'-(4-vinylbenzyl)ethylenediamine monohydrochloride
cas: 33401-49-9
dtxsid: DTXSID5067764
formula: C17H30N2O3Si
inchikey: JWIKADZFCMEWBV-UHFFFAOYSA-N
norman_susdat_id: NS00054231
pubchem_cid: 118474
smiles: Cl.O(C)[Si](OC)(OC)CCCNCCNCC1=CC=C(C=C)C=C1
inchi:
InChI=1/C17H30N2O3Si.ClH/c1-5-16-7-9-17(10-8-16)15-19-13-12-18-11-6-14-23(20-2,21-3)22-4;/h5,7-10,18-19H,1,6,11-15H2,2-4H3;1H


name: O-a-D-glucopyranosyl-(1<U+2192>6)-O-a-D-glucopyranosyl-(1<U+2192>4)-D-glucose
cas: 33401-87-5
dtxsid: DTXSID20955028
formula: C18H32O16
inchikey: OWEGMIWEEQEYGQ-UHFFFAOYSA-N
norman_susdat_id: NS00054232
pubchem_cid: 4120027
smiles: OCC1OC(OCC2OC(OC3C(O)C(O)C(O)OC3CO)C(O)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1/C18H32O16/c19-1-4-7(21)9(23)13(27)17(32-4)30-3-6-8(22)10(24)14(28)18(33-6)34-15-5(2-20)31-16(29)12(26)11(15)25/h4-29H,1-3H2


name: Pyrantel hydrogen tartrate
cas: 33401-94-4
formula: C11H14N2S.C4H6O6
inchikey: VWRCYAZJKNPEQR-UHFFFAOYSA-N
norman_susdat_id: NS00087439
smiles: OC(=O)C(O)C(O)C(O)=O.CN2CCC\N=C2\C=Cc1cccs1
inchi:
InChI=1/C11H14N2S.C4H6O6/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;5-1(3(7)8)2(6)4(9)10/h2,4-6,9H,3,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: Metaraminol hydrogen (+)-tartrate
cas: 33402-03-8
formula: C9H13NO2.C4H6O6
inchikey: VENXSELNXQXCNT-YDYUUSCQSA-N
norman_susdat_id: NS00087932
smiles: C[C@H](N)[C@H](O)c1cccc(O)c1.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: Amylose
cas: 33404-34-1
chebiid: CHEBI:41753
dtxsid: DTXSID40859579
formula: C18H32O16
inchikey: FYGDTMLNYKFZSV-CSHPIKHBSA-N
norman_susdat_id: NS00070416
pubchem_cid: 440950
inchi:
InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16-,17+,18+/m1/s1

smiles:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O


name: Etoposide
cas: 33419-42-0
chebiid: CHEBI:4911
chemspiderid: 33510
dtxsid: DTXSID5023035
formula: C29H32O13
inchikey: VJJPUSNTGOMMGY-MRVIYFEKSA-N
norman_susdat_id: NS00009585
pubchem_cid: 36462
inchi:
InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1

smiles:
COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12


name: Deanol aceglumate
cas: 3342-61-8
formula: C7H11NO5.C4H11NO
inchikey: WKAVKKUXZAWHDM-JEDNCBNOSA-N
norman_susdat_id: NS00082845
smiles: CN(C)CCO.CC(=O)N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1/C7H11NO5.C4H11NO/c1-4(9)8-5(7(12)13)2-3-6(10)11;1-5(2)3-4-6/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);6H,3-4H2,1-2H3


name: 1-decyl-3-methylindan
cas: 33425-50-2
dtxsid: DTXSID50955051
formula: C20H32
inchikey: RTYGVBRBJCTRMM-UHFFFAOYSA-N
norman_susdat_id: NS00054704
pubchem_cid: 118075
smiles: C=1C=CC2=C(C1)C(C)CC2CCCCCCCCCC
inchi:
InChI=1/C20H32/c1-3-4-5-6-7-8-9-10-13-18-16-17(2)19-14-11-12-15-20(18)19/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3


name: L-lysine, compound with N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine (1:1)
cas: 33425-97-7
formula: C9H17NO5.C6H14N2O2
inchikey: UTMIXPNUSXKMQF-ZSCHJXSPSA-N
norman_susdat_id: NS00087178
smiles: CC(C)(CO)C(O)C(=O)NCCC(=O)O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C9H17NO5.C6H14N2O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;7-4-2-1-3-5(8)6(9)10/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);5H,1-4,7-8H2,(H,9,10)


name: (S)-9,10-didehydro-N-(1-hydroxyethyl)-6-methylergoline-8ß-carboxamide
cas: 3343-15-5
dtxsid: DTXSID10955057
formula: C18H21N3O2
inchikey: WYTJZJPVCDWOOI-WPJLSRQMSA-N
norman_susdat_id: NS00047807
pubchem_cid: 134553
smiles: O=C(NC(O)C)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1
inchi:
InChI=1/C18H21N3O2/c1-10(22)20-18(23)12-6-14-13-4-3-5-15-17(13)11(8-19-15)7-16(14)21(2)9-12/h3-6,8,10,12,16,19,22H,7,9H2,1-2H3,(H,20,23)


name: 11-phenylundecanoic acid
cas: 3343-24-6
dtxsid: DTXSID70955058
formula: C17H26O2
inchikey: AUQIXRHHSITZFM-UHFFFAOYSA-N
norman_susdat_id: NS00048583
pubchem_cid: 76863
smiles: O=C(O)CCCCCCCCCCC=1C=CC=CC1
inchi:
InChI=1/C17H26O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14H,1-6,8,11-12,15H2,(H,18,19)


name: 2'-deoxyguanosine 5'-(disodium phosphate)
cas: 33430-61-4
formula: C10H14N5O7P.2Na
inchikey: CTPAMSRBXKGZCJ-UHFFFAOYSA-L
norman_susdat_id: NS00087423
smiles: Nc1nc(O)c2ncn(C3CC(O)C(COP(=O)(O[Na])O[Na])O3)c2n1
inchi:
InChI=1/C10H14N5O7P.2Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;/q;2*+1/p-2/rC10H12N5Na2O7P/c11-10-13-8-7(9(19)14-10)12-3-15(8)6-1-4(18)5(22-6)2-21-25(20,23-16)24-17/h3-6,18H,1-2H2,(H3,11,13,14,19)


cas: 33432-08-5
dtxsid: DTXSID5067766
formula: C25H21N3O14S4
inchikey: RSAJRSTYJBDQBB-UHFFFAOYSA-N
norman_susdat_id: NS00054705
pubchem_cid: 118479
name:
1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-

inchi:
InChI=1/C25H21N3O14S4/c29-24-22-18(20(44(33,34)35)11-10-19(22)26-25(30)15-4-2-1-3-5-15)14-21(45(36,37)38)23(24)28-27-16-6-8-17(9-7-16)43(31,32)13-12-42-46(39,40)41/h1-11,14,29H,12-13H2,(H,26,30)(H,33,34,35)(H,36,37,38)(H,39,40,41)

smiles:
O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=4C=CC=CC4


name: Trimagnesium dicitrate
cas: 3344-18-1
chebiid: CHEBI:131391
formula: C6H8O7.3/2Mg
inchikey: PLSARIKBYIPYPF-UHFFFAOYSA-H
norman_susdat_id: NS00082846
smiles: [Mg+2].[Mg+2].[Mg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Mg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: Vestipitant
cas: 334476-64-1
dtxsid: DTXSID50187092
formula: C23H24F7N3O
inchikey: SBBYBXSFWOLDDG-JLTOFOAXSA-N
norman_susdat_id: NS00069607
pubchem_cid: 9832383
smiles: Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
inchi:
InChI=1S/C23H24F7N3O/c1-13-8-18(24)4-5-19(13)20-12-31-6-7-33(20)21(34)32(3)14(2)15-9-16(22(25,26)27)11-17(10-15)23(28,29)30/h4-5,8-11,14,20,31H,6-7,12H2,1-3H3/t14-,20-/m1/s1


name: p-(2-(3,4-Dihydro-7-methoxy-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)benzenesulphonamide
cas: 33456-68-7
chemspiderid: 105521
dtxsid: DTXSID60187104
formula: C20H22N2O5S1
inchikey: YJHGEYXLMLMFCF-UHFFFAOYSA-N
norman_susdat_id: NS00008348
pubchem_cid: 118080
smiles: COc1ccc2c(c1)C(=O)N(CCc1ccc(cc1)S(N)(=O)=O)C(=O)C2(C)C
inchi:
InChI=1S/C20H22N2O5S/c1-20(2)17-9-6-14(27-3)12-16(17)18(23)22(19(20)24)11-10-13-4-7-15(8-5-13)28(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)


name: Euonymine
cas: 33458-82-1
chemspiderid: 419220
formula: C38H47NO18
inchikey: PBFGAFDJVQAMRS-KCYQGYFWSA-N
norman_susdat_id: NS00067909
pubchem_cid: 131675967
inchi:
InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16?,17?,25?,27-,28+,29-,30+,31-,32+,35?,36+,37-,38+/m1/s1


name: Dodecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate
cas: 33466-31-8
formula: C40H72O8Sn
inchikey: IPEIQLRNAOQYPJ-NUJFUEHTSA-L
norman_susdat_id: NS00054277
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C16H28O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H72O8Sn/c1-5-9-13-15-17-19-21-23-25-27-33-45-37(41)29-31-39(43)47-49(35-11-7-3,36-12-8-4)48-40(44)32-30-38(42)46-34-28-26-24-22-20-18-16-14-10-6-2/h29-32H,5-28,33-36H2,1-4H3


name: (Z)-1-[1-chloro-2-(4-ethoxyphenyl)vinyl]-4-octylbenzene
cas: 33468-15-4
formula: C24H31ClO
inchikey: GSDUCZGRMDRJKE-CLCOLTQESA-N
norman_susdat_id: NS00054672
pubchem_cid: 6046884
smiles: ClC(=CC1=CC=C(OCC)C=C1)C2=CC=C(C=C2)CCCCCCCC
inchi:
InChI=1/C24H31ClO/c1-3-5-6-7-8-9-10-20-11-15-22(16-12-20)24(25)19-21-13-17-23(18-14-21)26-4-2/h11-19H,3-10H2,1-2H3


name: trans-N-(2,3-diphenylaziridin-1-yl)phthalimide
cas: 33474-61-2
dtxsid: DTXSID60955103
formula: C22H16N2O2
inchikey: AADFBKFELOITOB-UHFFFAOYSA-N
norman_susdat_id: NS00055627
pubchem_cid: 118081
smiles: O=C1C=2C=CC=CC2C(=O)N1N3C(C=4C=CC=CC4)C3C=5C=CC=CC5
inchi:
InChI=1/C22H16N2O2/c25-21-17-13-7-8-14-18(17)22(26)24(21)23-19(15-9-3-1-4-10-15)20(23)16-11-5-2-6-12-16/h1-14,19-20H


name: 2,​2'-​[(1E)​-​[1,​1'-​biphenyl]​-​4,​4'-​diyldi-​2,​1-​ethenediyl]​bis-Benzenesulfonic acid
cas: 334756-45-5
dtxsid: DTXSID30892591
formula: C28H22O6S2
inchikey: SQAKQVFOMMLRPR-IWGRKNQJSA-N
norman_susdat_id: NS00075570
smiles: OS(=O)(=O)C1=C(C=CC2=CC=C(C=C2)C2=CC=C(C=CC3=C(C=CC=C3)S(O)(=O)=O)C=C2)C=CC=C1
inchi:
InChI=1S/C28H22O6S2/c29-35(30,31)27-7-3-1-5-25(27)19-13-21-9-15-23(16-10-21)24-17-11-22(12-18-24)14-20-26-6-2-4-8-28(26)36(32,33)34/h1-20H,(H,29,30,31)(H,32,33,34)/b19-13+,20-14+


name: Asebotoxin IV
cas: 33476-73-2
chemspiderid: 75124255
formula: C23H38O8
inchikey: UDJBPAUQWLWDFT-HGAVMHFCSA-N
norman_susdat_id: NS00093910
smiles:
CCC(=O)O[C@@H]1[C@H]([C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O)O


name: Asebotoxin V
cas: 33476-74-3
chemspiderid: 75124256
formula: C25H40O9
inchikey: JJRZRLHOOJBTFY-XOMXQSAFSA-N
norman_susdat_id: NS00093911
smiles:
CCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C[C@@H](C2(C)C)O)[C@]([C@H]3[C@@]14C[C@@]([C@@H]([C@H]4O)CC3)(C)O)(C)O)O)OC(=O)C


name: Gisadenafil
cas: 334826-98-1
chemspiderid: 8068530
formula: C23H33N7O5S1
inchikey: YPFZMBHKIVDSNR-UHFFFAOYSA-N
norman_susdat_id: NS00015870
pubchem_cid: 9892860
smiles: CCC1=C2C(=NN1CCOC)C(=O)N=C(N2)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC
inchi:
InChI=1S/C23H33N7O5S/c1-5-18-19-20(27-30(18)12-13-34-4)22(31)26-21(25-19)17-14-16(15-24-23(17)35-7-3)36(32,33)29-10-8-28(6-2)9-11-29/h14-15H,5-13H2,1-4H3,(H,25,26,31)


name: Dibutoxydibutylstannane
cas: 3349-36-8
dtxsid: DTXSID9062986
formula: C16H36O2Sn
inchikey: RGCPMRIOBZXXBR-UHFFFAOYSA-N
norman_susdat_id: NS00047811
pubchem_cid: NA
smiles: O(CCCC)[Sn](OCCCC)(CCCC)CCCC
inchi:
InChI=1/2C4H9O.2C4H9.Sn/c2*1-2-3-4-5;2*1-3-4-2;/h2*2-4H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC16H36O2Sn/c1-5-9-13-17-19(15-11-7-3,16-12-8-4)18-14-10-6-2/h5-16H2,1-4H3


name: Dibutylbis(octyloxy)stannane
cas: 3349-38-0
dtxsid: DTXSID00187128
formula: C24H52O2Sn
inchikey: UDXJOSPXJCRUGX-UHFFFAOYSA-N
norman_susdat_id: NS00048496
pubchem_cid: NA
smiles: O(CCCCCCCC)[Sn](OCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C8H17O.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9;2*1-3-4-2;/h2*2-8H2,1H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC24H52O2Sn/c1-5-9-13-15-17-19-21-25-27(23-11-7-3,24-12-8-4)26-22-20-18-16-14-10-6-2/h5-24H2,1-4H3


name: Perfluorooctanoic anhydride
cas: 33496-48-9
chemspiderid: 105905
dtxsid: DTXSID80880387
formula: C16F30O3
inchikey: NBEDTLDKOMPAQK-UHFFFAOYSA-N
norman_susdat_id: NS00018943
pubchem_cid: 118491
inchi:
InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-pentylnonanamide
cas: 33496-54-7
dtxsid: DTXSID20896043
formula: C14H12F17NO
inchikey: VAZPBMQLECGKFX-UHFFFAOYSA-N
norman_susdat_id: NS00109726
smiles: CCCCCNC(=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/C14H12F17NO/c1-2-3-4-5-32-6(33)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-5H2,1H3,(H,32,33)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-octylnonanamide
cas: 33496-55-8
dtxsid: DTXSID20896063
formula: C17H18F17NO
inchikey: HFBBZVYAWZNJKL-UHFFFAOYSA-N
norman_susdat_id: NS00109728
smiles: CCCCCCCCNC(=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/C17H18F17NO/c1-2-3-4-5-6-7-8-35-9(36)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3,(H,35,36)


name: 13-desmethyl spirolide C
cas: 334974-07-1
chemspiderid: 49073777
formula: C42H61N1O7
inchikey: TWYUDVVIPSUDIG-UHFFFAOYSA-N
norman_susdat_id: NS00006395
pubchem_cid: NA
smiles: CC1CN=C2CCCC(=C)CC3CCC(C)(O)C4(CCC5(CCC(CC(O)C(C)=CC6C(C)=C(CCC26CC1C)C1OC(=O)C(C)=C1)O5)O4)O3
inchi:
InChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3


name: Potassium perfluoro-p-ethylcyclohexanesulfonate
cas: 335-24-0
chemspiderid: 30988562
dtxsid: DTXSID50880117
formula: C8H1F15O3S1
inchikey: ICKAEAFPESRWOT-KHRFWHHFSA-N
norman_susdat_id: NS00011421
pubchem_cid: NA
smiles: [K].O=[S](=O)(O)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C1(F)F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF15O3S.K/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13;/h(H,24,25,26);


name: Perfluorodecanoic acid (PFDA)
cas: 335-76-2
chebiid: CHEBI:35546
chemspiderid: 9181
dtxsid: DTXSID3031860
formula: C10H1F19O2
inchikey: PCIUEQPBYFRTEM-UHFFFAOYSA-N
norman_susdat_id: NS00000369
pubchem_cid: 9555
smiles: O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
eea_notation: CAS_335-76-2
inchi:
InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)


name: Hentriacontafluoropentadecyl iodide
cas: 335-79-5
chemspiderid: 32077470
dtxsid: DTXSID40880126
formula: C15F31I1
inchikey: SVOCBPYVHOTFRV-UHFFFAOYSA-N
norman_susdat_id: NS00011183
pubchem_cid: 14993425
inchi:
InChI=1S/C15F31I/c16-1(17,2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)44)3(20,21)5(24,25)7(28,29)9(32,33)11(36,37)13(40,41)15(45,46)47

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


name: 1H,1H-Perfluoro-n-decyl acrylate
cas: 335-83-1
dtxsid: DTXSID00375104
formula: C13H5F19O2
inchikey: QPVJROJBHCURKR-UHFFFAOYSA-N
norman_susdat_id: NS00108786
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C
inchi:
InChI=1S/C13H5F19O2/c1-2-4(33)34-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)32/h2H,1,3H2


cas: 335-90-0
dtxsid: DTXSID10721759
formula: C14H16F15IN2O
inchikey: UGHTUIRCLKFTAQ-UHFFFAOYSA-M
norman_susdat_id: NS00109196
smiles: [I-].C[N+](C)(C)CCCNC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=O
name:
N,N,N-Trimethyl-3-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-oxooctyl)amino]propan-1-aminium iodide

inchi:
InChI=1S/C14H16F15N2O.HI/c1-31(2,3)6-4-5-30-14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)9(18,19)8(16,17)7(15)32;/h30H,4-6H2,1-3H3;1H/q+1;/p-1


name: Silver perfluorooctanoate
cas: 335-93-3
dtxsid: DTXSID00880127
formula: C8AgF15O2
inchikey: HXWHIGAHMKKVBV-UHFFFAOYSA-M
norman_susdat_id: NS00108852
smiles: [Ag+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1


name: Sodium pentadecafluorooctanoate
cas: 335-95-5
formula: C8HF15O2.Na
inchikey: LWHQXUODFPPQTL-UHFFFAOYSA-M
norman_susdat_id: NS00079490
smiles: [Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1


name: p-nitrophenyl N-(tert-butoxycarbonyl)-L-leucinate
cas: 3350-19-4
dtxsid: DTXSID90955131
formula: C17H25N2O6
inchikey: HCKZUUZDQIKPEF-AWEZNQCLSA-N
norman_susdat_id: NS00048497
pubchem_cid: 1810201
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])CC(C)C
inchi:
InChI=1/C17H24N2O6/c1-11(2)10-14(18-16(21)25-17(3,4)5)15(20)24-13-8-6-12(7-9-13)19(22)23/h6-9,11,14H,10H2,1-5H3,(H,18,21)


name: 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-o-tolyl]azo]naphthalene-1,5-disulphonic acid
cas: 33508-55-3
formula: C20H14Cl2N6O6S2
inchikey: FFUPTYQEWMUQFD-UHFFFAOYSA-N
norman_susdat_id: NS00087970
smiles: Clc4nc(Nc3cc(C)c(N=Nc2cc1c(cccc1c(c2)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4
inchi:
InChI=1/C20H14Cl2N6O6S2/c1-10-7-11(23-20-25-18(21)24-19(22)26-20)5-6-15(10)28-27-12-8-14-13(17(9-12)36(32,33)34)3-2-4-16(14)35(29,30)31/h2-9H,1H3,(H,29,30,31)(H,32,33,34)(H,23,24,25,26)


name: 1-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-3-(hexadec-2-enyl)pyrrolidine-2,5-dione
cas: 33508-79-1
formula: C27H39N3O3
inchikey: FKJVYUCQCYYZHK-UHFFFAOYSA-N
norman_susdat_id: NS00055628
pubchem_cid: 118085
smiles: O=C1NNC2=CC(=CC=C12)N3C(=O)CC(C3=O)CC=CCCCCCCCCCCCCC
inchi:
InChI=1/C27H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19-25(31)30(27(21)33)22-17-18-23-24(20-22)28-29-26(23)32/h14-15,17-18,20-21H,2-13,16,19H2,1H3,(H2,28,29,32)


cas: 3351-67-5
formula: C20H26N4O3S3
inchikey: SKJNKTWERCCKDZ-UHFFFAOYSA-N
norman_susdat_id: NS00047814
pubchem_cid: NA
smiles: O=C1C(SC(=S)N1CC)=CC=C2N(C3=CC=C(C=C3N2CC)S(=O)(=O)NCC)CC
name:
1,1,3-triethyl-2-[(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazole-5-sulphonamide

inchi:
InChI=1/C20H26N4O3S3/c1-5-21-30(26,27)14-9-10-15-16(13-14)23(7-3)18(22(15)6-2)12-11-17-19(25)24(8-4)20(28)29-17/h9-13,21H,5-8H2,1-4H3


name: Tembotrione
cas: 335104-84-2
chebiid: CHEBI:132273
chemspiderid: 9731688
dtxsid: DTXSID5047037
formula: C17H16Cl1F3O6S1
inchikey: IUQAXCIUEPFPSF-UHFFFAOYSA-N
norman_susdat_id: NS00000561
pubchem_cid: 11556911
smiles: O=C(c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)C2C(=O)CCCC2=O
inchi:
InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3


name: Disodium 4-formylbenzene-1,3-disulphonate
cas: 33513-44-9
formula: C7H6O7S2.2Na
inchikey: UUKHCUPMVISNFW-UHFFFAOYSA-L
norman_susdat_id: NS00087444
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(C=O)c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C7H6O7S2.2Na/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;/h1-4H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2


name: N-benzoyl-3-hydroxy-D-tyrosine
cas: 33515-36-5
formula: C16H15NO5
inchikey: WGTPJOPXQRPTDE-GFCCVEGCSA-N
norman_susdat_id: NS00087971
smiles: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c2ccccc2
inchi:
InChI=1/C16H15NO5/c18-13-7-6-10(9-14(13)19)8-12(16(21)22)17-15(20)11-4-2-1-3-5-11/h1-7,9,12,18-19H,8H2,(H,17,20)(H,21,22)


name: 2-(2-Formyl-4-nitrophenoxy)hexanoic acid
cas: 335153-21-4
chemspiderid: 9348649
dtxsid: DTXSID60457713
formula: C13H15N1O6
inchikey: BQZBIATZHUXDFL-UHFFFAOYSA-N
norman_susdat_id: NS00005975
pubchem_cid: 11173557
smiles: CCCCC(Oc1ccc(cc1C=O)[N+]([O-])=O)C(O)=O
inchi:
InChI=1S/C13H15NO6/c1-2-3-4-12(13(16)17)20-11-6-5-10(14(18)19)7-9(11)8-15/h5-8,12H,2-4H2,1H3,(H,16,17)


name: Bis[isopropyloctadecyldithiocarbamato-S,S']zinc
cas: 33516-09-5
formula: C44H88N2S4Zn
inchikey: XIRMSEKPPCLFNS-UHFFFAOYSA-L
norman_susdat_id: NS00087207
smiles: CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)S[Zn]SC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C
inchi:
InChI=1/2C22H45NS2.Zn/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(21(2)3)22(24)25;/h2*21H,4-20H2,1-3H3,(H,24,25);/q;;+2/p-2/rC44H88N2S4Zn/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(41(3)4)43(47)49-51-50-44(48)46(42(5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3


name: AM1248
cas: 335160-66-2
chemspiderid: 8469262
formula: C26H34N2O1
inchikey: JRECAXBHMULNJQ-UHFFFAOYSA-N
norman_susdat_id: NS00017675
pubchem_cid: 10293794
smiles: CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C45CC6CC(C4)CC(C6)C5
inchi:
InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3


name: AM-679
cas: 335160-91-3
chemspiderid: 25991468
formula: C20H20I1N1O1
inchikey: GAJBHYUAJOTAEW-UHFFFAOYSA-N
norman_susdat_id: NS00010235
pubchem_cid: 57458891
smiles: CCCCCn1cc(C(=O)c2ccccc2I)c2ccccc12
inchi:
InChI=1S/C20H20INO/c1-2-3-8-13-22-14-17(15-9-5-7-12-19(15)22)20(23)16-10-4-6-11-18(16)21/h4-7,9-12,14H,2-3,8,13H2,1H3


name: AM-694
cas: 335161-03-0
chebiid: CHEBI:138017
chemspiderid: 8064843
dtxsid: DTXSID30187156
formula: C20H19F1I1N1O1
inchikey: LFFIIZFINPPEMC-UHFFFAOYSA-N
norman_susdat_id: NS00002025
pubchem_cid: 9889172
smiles: FCCCCCn1cc(C(=O)c2ccccc2I)c2ccccc12
inchi:
InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2


name: JWH 073 N-(4-hydroxybutyl) metabolite
cas: 335161-14-3
chemspiderid: 26458428
formula: C23H21N1O2
inchikey: FIBVDFAPDNJBNI-UHFFFAOYSA-N
norman_susdat_id: NS00017260
pubchem_cid: 53394456
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCO
inchi:
InChI=1S/C23H21NO2/c25-15-6-5-14-24-16-21(19-11-3-4-13-22(19)24)23(26)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16,25H,5-6,14-15H2


name: AM-2232
cas: 335161-19-8
chemspiderid: 26633898
dtxsid: DTXSID90187157
formula: C24H20N2O1
inchikey: VWVAIBKHFCUSMD-UHFFFAOYSA-N
norman_susdat_id: NS00017600
pubchem_cid: 57458892
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCC#N
inchi:
InChI=1S/C24H20N2O/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,16H2


name: JWH 018 N-(5-hydroxypentyl) metabolite
cas: 335161-21-2
chemspiderid: 26458422
formula: C24H23N1O2
inchikey: UGHBAICDASCCIQ-UHFFFAOYSA-N
norman_susdat_id: NS00017250
pubchem_cid: 53394450
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCO
inchi:
InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2


name: AM-2201
cas: 335161-24-5
chemspiderid: 24751884
dtxsid: DTXSID50187158
formula: C24H22F1N1O1
inchikey: ALQFAGFPQCBPED-UHFFFAOYSA-N
norman_susdat_id: NS00006978
pubchem_cid: 53393997
smiles: FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
inchi:
InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2


name: AM-1235
cas: 335161-27-8
dtxsid: DTXSID10187159
formula: C24H21FN2O3
inchikey: LNGVQORPSNNMSZ-UHFFFAOYSA-N
norman_susdat_id: NS00067967
smiles: [O-][N+](=O)C1=CC2=C(C=C1)C(=CN2CCCCCF)C(=O)C1=CC=CC2=CC=CC=C12
inchi:
InChI=1S/C24H21FN2O3/c25-13-4-1-5-14-26-16-22(20-12-11-18(27(29)30)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16H,1,4-5,13-14H2


name: Adenylyl-(3'<U+2192>5')-guanosine
cas: 3352-23-6
formula: C20H25N10O11P
inchikey: LWBLDUTUVIXFJE-UHFFFAOYSA-N
norman_susdat_id: NS00048498
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1N=CN2C3OC(COP(=O)(O)OC4C(O)C(OC4CO)N5C=NC=6C(=NC=NC65)N)C(O)C3O)N
inchi:
InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)19-12(34)13(6(1-31)39-19)41-42(36,37)38-2-7-10(32)11(33)18(40-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)


name: Tetrakis(4-biphenylyl)silane
cas: 3352-54-3
dtxsid: DTXSID9062988
formula: C48H36Si
inchikey: ABITWCWTLOLPCV-UHFFFAOYSA-N
norman_susdat_id: NS00048499
pubchem_cid: 76878
inchi:
InChI=1/C48H36Si/c1-5-13-37(14-6-1)41-21-29-45(30-22-41)49(46-31-23-42(24-32-46)38-15-7-2-8-16-38,47-33-25-43(26-34-47)39-17-9-3-10-18-39)48-35-27-44(28-36-48)40-19-11-4-12-20-40/h1-36H

smiles:
C=1C=CC(=CC1)C=2C=CC(=CC2)[Si](C=3C=CC(=CC3)C=4C=CC=CC4)(C=5C=CC(=CC5)C=6C=CC=CC6)C=7C=CC(=CC7)C=8C=CC=CC8


name: Chloro[[2,2',2''-nitrilotris[ethanolato]]-N,O,O',O'']zinc
cas: 33520-38-6
formula: C6H14ClNO3Zn
inchikey: RZVNQIFLEMIAFP-UHFFFAOYSA-M
norman_susdat_id: NS00087972
smiles: OCCN(CCO)CCO[Zn]Cl
inchi:
InChI=1/C6H14NO3.ClH.Zn/c8-4-1-7(2-5-9)3-6-10;;/h8-9H,1-6H2;1H;/q-1;;+2/p-1/rC6H14ClNO3Zn/c7-12-11-6-3-8(1-4-9)2-5-10/h9-10H,1-6H2


name: Noroxymorphone
cas: 33522-95-1
chemspiderid: 4593755
formula: C16H17N1O4
inchikey: HLMSIZPQBSYUNL-IPOQPSJVSA-N
norman_susdat_id: NS00015493
pubchem_cid: 5497189
smiles: C1CC2(C3CC4=C5C2(CCN3)C(C1=O)OC5=C(C=C4)O)O
inchi:
InChI=1S/C16H17NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-2,11,14,17-18,20H,3-7H2/t11-,14+,15+,16-/m1/s1


name: 2,4-diacetyl-3-oxoglutaric anhydride
cas: 33524-89-9
dtxsid: DTXSID60955148
formula: C18H18O13
inchikey: DFOQJMGYZIWJOW-UHFFFAOYSA-N
norman_susdat_id: NS00054693
pubchem_cid: NA
smiles: O=C(O)C(C(=O)C)C(=O)C(C(=O)OC(=O)C(C(=O)C)C(=O)C(C(=O)O)C(=O)C)C(=O)C
inchi:
InChI=1/C18H18O13/c1-5(19)9(15(25)26)13(23)11(7(3)21)17(29)31-18(30)12(8(4)22)14(24)10(6(2)20)16(27)28/h9-12H,1-4H3,(H,25,26)(H,27,28)


name: Guanylyl-(3'<U+2192>5')-guanosine
cas: 3353-33-1
formula: C20H25N10O12P
inchikey: MNXLMHSUERRXOE-UHFFFAOYSA-N
norman_susdat_id: NS00048602
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1N=CN2C3OC(COP(=O)(O)OC4C(O)C(OC4CO)N5C=NC=6C(=O)NC(=NC65)N)C(O)C3O)N
inchi:
InChI=1/C20H25N10O12P/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-10(33)9(32)6(41-17)2-39-43(37,38)42-12-5(1-31)40-18(11(12)34)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H3,21,25,27,35)(H3,22,26,28,36)


name: 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID
cas: 335377-65-6
dtxsid: DTXSID70415324
formula: C15H14O8
inchikey: RSFJMLCZHPZXCW-AANKLQPISA-N
norman_susdat_id: NS00069691
pubchem_cid: 5287417
smiles: CO[C@@H]1O[C@@H](C)Cc2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c21
inchi:
InChI=1S/C15H14O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h4-5,15-17H,3H2,1-2H3,(H,19,20)/t5-,15+/m0/s1


name: Venturicidin B, 3'-carbamate
cas: 33538-71-5
formula: C41H67NO11
inchikey: HHQKNFDAEDTRJK-UHFFFAOYSA-N
norman_susdat_id: NS00054281
pubchem_cid: 72754915
smiles: O=C(OC1CC(OC2C=CC(C)CC(C)C(OC(=O)CC3(O)OC(C(=CCCC2)C)C(=CC3)C)C(C)CC(C)C(O)C(C(=O)CC)C)OC(C)C1O)N
inchi:
InChI=1/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)


cas: 3354-97-0
chebiid: CHEBI:88283
dtxsid: DTXSID70889465
formula: C34H27N5O12S3
inchikey: PTIWCWYYGIRDIZ-UHFFFAOYSA-K
norman_susdat_id: NS00049303
pubchem_cid: 102397
name:
Trisodium 4-hydroxy-5-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-5-methoxy-2-methylphenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N5O12S3.3Na/c1-18-10-27(37-39-33-31(54(48,49)50)14-19-11-22(8-9-25(19)34(33)41)35-21-6-4-3-5-7-21)30(51-2)17-26(18)36-38-28-15-23(52(42,43)44)12-20-13-24(53(45,46)47)16-29(40)32(20)28;;;/h3-17,35,40-41H,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-])C=1C=C(O)C2=C(N=NC=3C=C(OC)C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC=6C=CC=CC6)=CC3C)C=C(C=C2C1)S(=O)(=O)[O-]


cas: 335593-06-1
dtxsid: DTXSID10897625
norman_susdat_id: NS00109474
name:
2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester, polymer with α-(1-oxo-2-propenyl)-ω-methoxypoly(oxy-1,2-ethanediyl) and 2-propenoic acid, graft (9CI)


name: Heptyl
cas: 3356-67-0
dtxsid: DTXSID60187245
formula: C16H28N4O6
inchikey: SZWIAFVYPPMZML-YNEHKIRRSA-N
norman_susdat_id: NS00071054
smiles: CCCCCCCOC(=O)NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1
inchi:
InChI=1S/C16H28N4O6/c1-2-3-4-5-6-7-25-16(24)19-14-17-10-20(15(23)18-14)13-8-11(22)12(9-21)26-13/h11-13,21-22H,2-10H2,1H3,(H2,17,18,19,23,24)/t11-,12+,13+/m0/s1


name: Sodium dihydrogen 4-sulphonatophthalate
cas: 33562-89-9
formula: C8H6O7S.Na
inchikey: SKFJOGJJIJEGMQ-UHFFFAOYSA-K
norman_susdat_id: NS00087973
smiles: [Na+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C8H6O7S.Na/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);/q;+1/p-3


cas: 33564-30-6
formula: C16H17N3O7S2.Na
inchikey: GNWUOVJNSFPWDD-KUARMEPBSA-M
norman_susdat_id: NS00087445
smiles: [Na+].CO[C@@]1(NC(=O)Cc2cccs2)[C@@H]3SCC(=C(N3C1=O)C(=O)[O-])COC(=O)N
name:
Sodium (6R-cis)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C16H17N3O7S2.Na/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19;/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22);/q;+1/p-1


name: Diflorasone di(acetate)
cas: 33564-31-7
dtxsid: DTXSID8045646
formula: C26H32F2O7
inchikey: ZKQQXGDOFZSLEZ-OJAUEJGHSA-N
norman_susdat_id: NS00055630
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)CO)C4(C)CC(OC(=O)C)C32F)C
inchi:
InChI=1/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(32)6-7-23(19,4)25(18,28)22(34-14(2)30)11-24(17,5)26(13,21(33)12-29)35-15(3)31/h6-7,9,13,17-18,20,22,29H,8,10-12H2,1-5H3


name: diisooctyl 4,4-[(dioctylstannylene)bis(oxy)]bis[4-oxoisocrotonate]
cas: 33568-99-9
dtxsid: DTXSID4067773
formula: C40H72O8Sn
inchikey: XITDVRBPGQGVFK-UHFFFAOYSA-L
norman_susdat_id: NS00112975
smiles: CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
inchi:
InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2


name: Bilobalide
cas: 33570-04-6
chemspiderid: 11947
dtxsid: DTXSID10873207
formula: C15H18O8
inchikey: MOLPUWBMSBJXER-ISSLQHLCSA-N
norman_susdat_id: NS00029508
pubchem_cid: 12308750
smiles: [H][C@]12C[C@@](O)(C(C)(C)C)C34[C@@H](O)C(=O)O[C@@]3([H])OC(=O)[C@]14CC(=O)O2
inchi:
InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1


name: Tertatolol
cas: 33580-30-2
dtxsid: DTXSID80865735
formula: C16H25NO2S
inchikey: HTWFXPCUFWKXOP-CYBMUJFWSA-N
norman_susdat_id: NS00068061
pubchem_cid: 23815478
smiles: CC(C)(C)NC[C@@H](O)COc1cccc2c1SCCC2
inchi:
InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m1/s1


name: 1-methylethane-1,2-diyl dipalmitate
cas: 33587-20-1
dtxsid: DTXSID40955222
formula: C35H68O4
inchikey: UWTZRBLIYNMYTC-UHFFFAOYSA-N
norman_susdat_id: NS00060451
pubchem_cid: 118091
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3


name: Octadecanoic acid, 1,4-butanediyl ester
cas: 33587-21-2
chemspiderid: 88886
dtxsid: DTXSID9067774
formula: C40H78O4
inchikey: SCSIKTWVGSGLCV-UHFFFAOYSA-N
norman_susdat_id: NS00029509
pubchem_cid: 118504
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39(41)43-37-33-34-38-44-40(42)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3


name: 1,2,3-Propanetriol 1-stearate 2,3-bisacetate
cas: 33599-07-4
chebiid: CHEBI:172681
dtxsid: DTXSID40274041
formula: C25H46O6
inchikey: WSYNAKWAAXYNMW-UHFFFAOYSA-N
norman_susdat_id: NS00113150
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O
inchi:
InChI=1/C25H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h24H,4-21H2,1-3H3


name: 1-methyl 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-a-aspartyl]-L-alaninate
cas: 33605-72-0
dtxsid: DTXSID30955236
formula: C22H24N2O7
inchikey: YSCNREZXFSZAQO-ROUUACIJSA-N
norman_susdat_id: NS00059441
pubchem_cid: 10159630
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)OC)CC=2C=CC=CC2)CC(=O)O
inchi:
InChI=1/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-20(27)17(13-19(25)26)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,27)(H,24,29)(H,25,26)


name: 1-methyl N-(N-formyl-L-a-aspartyl)-3-phenyl-L-alaninate
cas: 33605-76-4
dtxsid: DTXSID50955238
formula: C15H18N2O6
inchikey: OSEHTEQTVJQGDE-RYUDHWBXSA-N
norman_susdat_id: NS00060475
pubchem_cid: 10268056
smiles: O=CNC(C(=O)NC(C(=O)OC)CC=1C=CC=CC1)CC(=O)O
inchi:
InChI=1/C15H18N2O6/c1-23-15(22)12(7-10-5-3-2-4-6-10)17-14(21)11(16-9-18)8-13(19)20/h2-6,9,11-12H,7-8H2,1H3,(H,16,18)(H,17,21)(H,19,20)


name: Pirisudanol
cas: 33605-94-6
chebiid: CHEBI:135442
chemspiderid: 59202
dtxsid: DTXSID60187301
formula: C16H24N2O6
inchikey: KTOAWCPDBUCJED-UHFFFAOYSA-N
norman_susdat_id: NS00029512
pubchem_cid: 65782
smiles: OC(=O)/C=CC(=O)O.CN(C)CCOC(=O)CCC(=O)OCc1c(CO)c(O)c(C)nc1
inchi:
InChI=1S/C16H24N2O6/c1-11-16(22)13(9-19)12(8-17-11)10-24-15(21)5-4-14(20)23-7-6-18(2)3/h8,19,22H,4-7,9-10H2,1-3H3


cas: 33610-13-8
chemspiderid: 9104226
formula: C20H23Br1N2O5S1
inchikey: FJJNRKHLRYUGJW-UHFFFAOYSA-N
norman_susdat_id: NS00009748
pubchem_cid: NA
smiles: CC(C)(C)OC(=O)C1=C(CBr)CS(=O)C2C(NC(=O)Cc3ccccc3)C(=O)N12
name:
tert-butyl (5S,6R,7R)-3-bromomethyl-5,8-dioxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1S/C20H23BrN2O5S/c1-20(2,3)28-19(26)16-13(10-21)11-29(27)18-15(17(25)23(16)18)22-14(24)9-12-7-5-4-6-8-12/h4-8,15,18H,9-11H2,1-3H3,(H,22,24)


name: Ispinesib
cas: 336113-53-2
chebiid: CHEBI:94692
dtxsid: DTXSID20187307
formula: C30H33ClN4O2
inchikey: QJZRFPJCWMNVAV-HHHXNRCGSA-N
norman_susdat_id: NS00070520
pubchem_cid: 6851740
smiles: Cc1ccc(C(=O)N(CCCN)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1
inchi:
InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1


name: Sodium O,O-di-sec-butyl dithiophosphate
cas: 33619-92-0
formula: C8H19O2PS2.Na
inchikey: COOVFWBRUNWLSQ-UHFFFAOYSA-M
norman_susdat_id: NS00090309
smiles: CC(C)(C)OP(=S)(OC(C)(C)C)S[Na]
inchi:
InChI=1/C8H19O2PS2.Na/c1-7(2,3)9-11(12,13)10-8(4,5)6;/h1-6H3,(H,12,13);/q;+1/p-1/rC8H18NaO2PS2/c1-7(2,3)10-12(13,14-9)11-8(4,5)6/h1-6H3


name: Noxiptiline [INN:BAN:DCF]
cas: 3362-45-6
chebiid: CHEBI:135232
chemspiderid: 19832
dtxsid: DTXSID10187311
formula: C19H22N2O1
inchikey: GPTURHKXTUDRPC-UHFFFAOYSA-N
norman_susdat_id: NS00008097
pubchem_cid: 21087
smiles: CN(C)CCON=C1c2ccccc2CCc2ccccc12
inchi:
InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3


cas: 33625-61-5
dtxsid: DTXSID10955259
formula: C31H37N7O3S
inchikey: SZFOUXRPAWGIRZ-UHFFFAOYSA-N
norman_susdat_id: NS00059462
pubchem_cid: 3015661
smiles: [Br-].N#CC1=CC=C2C(=C1)N(C(=CC=CC3N(C4=CC(C#N)=CC=C4[NH+]3CC)CCCCS(=O)(=O)NC(=O)C)N2CC)CC
name:
3-[4-[(acetylamino)sulphonyl]butyl]-5-cyano-2-[3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-1H-benzimidazolium bromide

inchi:
InChI=1/C31H37N7O3S.BrH/c1-5-35-26-15-13-24(21-32)19-28(26)37(7-3)30(35)11-10-12-31-36(6-2)27-16-14-25(22-33)20-29(27)38(31)17-8-9-18-42(40,41)34-23(4)39;/h10-16,19-20,31H,5-9,17-18H2,1-4H3,(H,34,39);1H


name: Lead dilinoleate
cas: 33627-12-2
formula: C18H32O2.1/2Pb
inchikey: DGTMIDXVFLADCI-GRVYQHKQSA-L
norman_susdat_id: NS00090310
smiles: [Pb+2].[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC.[O-]C(=O)CCCCCCC/C=C\C/C=C\CCCCC
inchi:
InChI=1/2C18H32O2.Pb.2H/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/r2C18H32O2.H2Pb/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);1H2/q;;+4/p-2


cas: 33628-07-8
chemspiderid: 4590279
dtxsid: DTXSID4067779
formula: C31H35Cl2F6N4O6S2
inchikey: RYNJTCIHLVYZOG-UHFFFAOYSA-M
norman_susdat_id: NS00029516
pubchem_cid: NA
name:
1H-Benzimidazolium, 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(4-sulfobutyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-1-(4-sulfobutyl)-6-(trifluoromethyl)-, inner salt, sodium salt

inchi:
InChI=1S/C31H34Cl2F6N4O6S2/c1-3-40-26-18-22(32)20(30(34,35)36)16-24(26)42(12-5-7-14-50(44,45)46)28(40)10-9-11-29-41(4-2)27-19-23(33)21(31(37,38)39)17-25(27)43(29)13-6-8-15-51(47,48)49/h9-11,16-19H,3-8,12-15H2,1-2H3,(H-,44,45,46,47,48,49)/p+1

smiles:
[Na+].CCn1/c(=CC=Cc2[n+](CCCCS(=O)(=O)[O-])c3c(cc(Cl)c(c3)C(F)(F)F)n2CC)/n(CCCCS(=O)(=O)[O-])c2c1cc(Cl)c(c2)C(F)(F)F


cas: 33628-34-1
formula: C44H40N12O18S6
inchikey: QEZOVNDUKXREQV-IRTUOLCXSA-H
norman_susdat_id: NS00059478
pubchem_cid: 56842351
name:
Hexasodium 4,4'-bis[[2,6-bis(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C44H40N12O18S6.6Na/c57-75(58,59)35-15-7-29(8-16-35)49-41-45-25-47-43(55-41,51-31-11-19-37(20-12-31)77(63,64)65)53-33-5-3-27(39(23-33)79(69,70)71)1-2-28-4-6-34(24-40(28)80(72,73)74)54-44(52-32-13-21-38(22-14-32)78(66,67)68)48-26-46-42(56-44)50-30-9-17-36(18-10-30)76(60,61)62;;;;;;/h1-26,51-54H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H2,45,47,49,55)(H2,46,48,50,56);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC=NC(NC3=CC=C(C=C3)S(=O)(=O)[O-])(NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)[O-])NC6(N=CN=C(NC7=CC=C(C=C7)S(=O)(=O)[O-])N6)NC8=CC=C(C=C8)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])N2


name: Nifurfoline
cas: 3363-58-4
chebiid: CHEBI:135430
chemspiderid: 7845534
dtxsid: DTXSID90187314
formula: C13H15N5O6
inchikey: WCEJYDIWHURKJX-VGOFMYFVSA-N
norman_susdat_id: NS00029519
pubchem_cid: 9571068
smiles: [O-][N+](=O)c1ccc(o1)/C=N/N1CC(=O)N(CN2CCOCC2)C1=O
inchi:
InChI=1S/C13H15N5O6/c19-11-8-17(14-7-10-1-2-12(24-10)18(21)22)13(20)16(11)9-15-3-5-23-6-4-15/h1-2,7H,3-6,8-9H2/b14-7+


name: N-Ethyl Retinamide
cas: 33631-41-3
formula: C22H33NO
inchikey: WKYDOCGICAMTKE-NBIQJRODSA-N
norman_susdat_id: NS00070715
pubchem_cid: 5288173
smiles: CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
inchi:
InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+


name: Butocarboxim-sulfoxide
cas: 33649-13-7
chemspiderid: 85234
formula: C15H20O4
inchikey: WFMZXKFPRCNRAW-ICJWCHSRSA-N
norman_susdat_id: NS00101058
pubchem_cid: 94449
smiles: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1[C@@H](CC3=O)O)C)OC(=O)C2=C
inchi:
InChI=1S/C15H20O4/c1-7-4-5-9-8(2)14(18)19-13(9)15(3)11(17)6-10(16)12(7)15/h7,9-10,12-13,16H,2,4-6H2,1,3H3/t7-,9-,10+,12+,13+,15+/m0/s1


name: O,O'-(4,4'-Diaminobiphenyl-3,3'-ylene)di(glycollic acid)
cas: 3366-63-0
chemspiderid: 69343
dtxsid: DTXSID90187339
formula: C16H16N2O6
inchikey: UJJIPRCLIYLSHI-UHFFFAOYSA-N
norman_susdat_id: NS00029521
pubchem_cid: 76892
smiles: Nc1c(OCC(=O)O)cc(cc1)c1cc(OCC(=O)O)c(N)cc1
inchi:
InChI=1S/C16H16N2O6/c17-11-3-1-9(5-13(11)23-7-15(19)20)10-2-4-12(18)14(6-10)24-8-16(21)22/h1-6H,7-8,17-18H2,(H,19,20)(H,21,22)


name: Clotiazepam
cas: 33671-46-4
chebiid: CHEBI:31425
chemspiderid: 2709
dtxsid: DTXSID0022852
formula: C16H15Cl1N2O1S1
inchikey: CHBRHODLKOZEPZ-UHFFFAOYSA-N
norman_susdat_id: NS00009354
pubchem_cid: 2811
smiles: CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl
inchi:
InChI=1S/C16H15ClN2OS/c1-3-10-8-12-15(11-6-4-5-7-13(11)17)18-9-14(20)19(2)16(12)21-10/h4-8H,3,9H2,1-2H3


name: Hypophyllanthin
cas: 33676-00-5
chemspiderid: 158417
formula: C24H30O7
inchikey: LBJCUHLNHSKZBW-LZJOCLMNSA-N
norman_susdat_id: NS00018051
pubchem_cid: 71749431
smiles: COCC1CC2=CC(=C3C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC
inchi:
InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20(29-5)23-24(31-13-30-23)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m1/s1


name: 4-[(2-hydroxyethyl)methylamino]benzenediazonium tetrachlorozincate (2:1)
cas: 33678-73-8
formula: C9H12N3O.1/2Cl4Zn
inchikey: LFVPHTWIABNBBX-UHFFFAOYSA-J
norman_susdat_id: NS00090333
smiles: CN(CCO)c1ccc(cc1)[N+]#N.CN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C9H12N3O.4ClH.Zn/c2*1-12(6-7-13)9-4-2-8(11-10)3-5-9;;;;;/h2*2-5,13H,6-7H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H12N3O.Cl4Zn/c2*1-12(6-7-13)9-4-2-8(11-10)3-5-9;1-5(2,3)4/h2*2-5,13H,6-7H2,1H3;/q2*+1;-2


name: Benzolamide
cas: 3368-13-6
dtxsid: DTXSID10187356
formula: C8H8N4O4S3
inchikey: PWDGTQXZLNDOKS-UHFFFAOYSA-N
norman_susdat_id: NS00069833
pubchem_cid: 18794
smiles: NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
inchi:
InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)


cas: 33687-03-5
chemspiderid: 21229866
dtxsid: DTXSID3067788
formula: C33H35N3O1S2
inchikey: WWIBWTBIRUETRJ-UHFFFAOYSA-N
norman_susdat_id: NS00029524
pubchem_cid: 118532
smiles: CCCCCCCN1C(=S)N(/C(=C/C=C/C=c/2sc3c(ccc4ccccc34)n2CC)/C1=O)c1ccccc1
name:
4-Imidazolidinone, 5-[4-(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)-2-butenylidene]-3-heptyl-1-phenyl-2-thioxo-

inchi:
InChI=1S/C33H35N3OS2/c1-3-5-6-7-15-24-35-32(37)29(36(33(35)38)26-17-9-8-10-18-26)20-13-14-21-30-34(4-2)28-23-22-25-16-11-12-19-27(25)31(28)39-30/h8-14,16-23H,3-7,15,24H2,1-2H3/b14-13+,29-20+,30-21-


name: Flugestone
cas: 337-03-1
dtxsid: DTXSID0048765
formula: C21H29FO4
inchikey: OFSXGKOMEGSTSE-UHFFFAOYSA-N
norman_susdat_id: NS00041553
pubchem_cid: 3899565
smiles: O=C1C=C2CCC3C4CCC(O)(C(=O)C)C4(C)CC(O)C3(F)C2(C)CC1
inchi:
InChI=1/C21H29FO4/c1-12(23)20(26)9-7-15-16-5-4-13-10-14(24)6-8-18(13,2)21(16,22)17(25)11-19(15,20)3/h10,15-17,25-26H,4-9,11H2,1-3H3


name: 5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
cas: 337-47-3
formula: C12H18N2O2S.Na
inchikey: LYZGJWXNOGIVQA-UHFFFAOYSA-N
norman_susdat_id: NS00079491
smiles: [Na+].CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O
inchi:
InChI=1/C12H18N2O2S.Na/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);/q;+1


name: Octadecanamide, N-(hydroxymethyl)-
cas: 3370-35-2
chemspiderid: 69347
dtxsid: DTXSID3062998
formula: C19H39N1O2
inchikey: JHOKTNSTUVKGJC-UHFFFAOYSA-N
norman_susdat_id: NS00022067
pubchem_cid: 76896
smiles: CCCCCCCCCCCCCCCCCC(=O)NCO
inchi:
InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)


name: Tetrasodium 8,19-dichlorodiphenaleno[1,9-ab:1',9'-lm]triphenodioxazinetetrasulphonate
cas: 33700-25-3
dtxsid: DTXSID40889715
formula: C38H16Cl2N2O14S4
inchikey: HHAJROYLPHLLTP-UHFFFAOYSA-J
norman_susdat_id: NS00059524
pubchem_cid: 138395851
inchi:
InChI=1/C38H16Cl2N2O14S4.4Na/c39-28-33-35(29(40)32-34(28)55-20-10-15-5-4-13-2-1-3-14-6-7-17(30(20)41-32)24(15)23(13)14)56-21-11-16-12-22(57(43,44)45)27-26-19(9-8-18(25(16)26)31(21)42-33)36(58(46,47)48)38(60(52,53)54)37(27)59(49,50)51;;;;/h1-12H,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C3OC4=C(Cl)C5=NC6=C(OC5=C(Cl)C4=NC3=C7C=CC=8C(=C27)C1C(=C(C8S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C=C9C=CC%10=CC=CC=%11C=CC6=C9C%10%11


name: diisononyl adipate
cas: 33703-08-1
chemspiderid: 4932515
formula: C24H46O4
inchikey: AYWLCKHHUFBVGJ-UHFFFAOYSA-N
norman_susdat_id: NS00004540
pubchem_cid: 6427097
smiles: CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3


name: 1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethan-1-one hydrobromide
cas: 3371-33-3
dtxsid: DTXSID60955325
formula: C17H19NO4
inchikey: JDHLKARRBHHTQB-UHFFFAOYSA-N
norman_susdat_id: NS00049851
pubchem_cid: 3014196
smiles: Br.O=C(C=1C=C(O)C=C(O)C1)CNC(C)CC2=CC=C(O)C=C2
inchi:
InChI=1/C17H19NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,18-21H,6,10H2,1H3;1H


name: Isomaltotriose
cas: 3371-50-4
formula: C18H32O16
inchikey: FBJQEBRMDXPWNX-UHFFFAOYSA-N
norman_susdat_id: NS00048535
pubchem_cid: 4632877
smiles: OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1/C18H32O16/c19-1-4-7(20)11(24)14(27)17(33-4)31-3-6-9(22)12(25)15(28)18(34-6)30-2-5-8(21)10(23)13(26)16(29)32-5/h4-29H,1-3H2


name: Methyl 12-methoxy-13-(17-methoxy-17-oxovobasan-3a-yl)ibogamine-18-carboxylate
cas: 3371-85-5
formula: C43H52N4O5
inchikey: VCMIRXRRQJNZJT-ZNLRHDTNSA-N
norman_susdat_id: NS00049157
pubchem_cid: 5995075
smiles: O=C(OC)C1C2C(=CC)CN(C)C1CC=3C=4C=CC=CC4NC3C(C5=CC=6NC7=C(C6C=C5OC)CCN8CC9CC(CC)C8C7(C(=O)OC)C9)C2
inchi:
InChI=1/C43H52N4O5/c1-7-24-15-23-20-43(42(49)52-6)39-27(13-14-47(21-23)40(24)43)29-19-36(50-4)30(17-34(29)45-39)31-16-28-25(8-2)22-46(3)35(37(28)41(48)51-5)18-32-26-11-9-10-12-33(26)44-38(31)32/h8-12,17,19,23-24,28,31,35,37,40,44-45H,7,13-16,18,20-22H2,1-6H3


cas: 33718-79-5
dtxsid: DTXSID50885561
formula: C33H29N2O2
inchikey: RBEPIPBRHUKJDR-UHFFFAOYSA-M
norman_susdat_id: NS00059494
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.O1C=2C=CC(=CC2N(C1=CC(=CC=3OC4=CC=C(C=C4[N+]3C)C=5C=CC=CC5)CC)C)C=6C=CC=CC6
name:
Methyl 3-methyl-2-[2-[(3-methyl-5-phenyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-5-phenylbenzoxazolium sulphate

inchi:
InChI=1/C33H29N2O2.CH4O4S/c1-4-23(19-32-34(2)28-21-26(15-17-30(28)36-32)24-11-7-5-8-12-24)20-33-35(3)29-22-27(16-18-31(29)37-33)25-13-9-6-10-14-25;1-5-6(2,3)4/h5-22H,4H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Benzenesulfonic acid, 2,2'-(carbonyldiimino)bis[5-amino-
cas: 33719-44-7
chemspiderid: 105775
dtxsid: DTXSID2067791
formula: C13H14N4O7S2
inchikey: YZINHSYVVYIZOR-UHFFFAOYSA-N
norman_susdat_id: NS00029530
pubchem_cid: 118543
smiles: Nc1cc(c(NC(=O)Nc2c(cc(N)cc2)S(=O)(=O)O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H14N4O7S2/c14-7-1-3-9(11(5-7)25(19,20)21)16-13(18)17-10-4-2-8(15)6-12(10)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)


name: Icodextrin
cas: 337376-15-5
dtxsid: DTXSID70872514
formula: C21H33N3O5S
inchikey: NPGNOVNWUSPMDP-UMEUOAKRSA-N
norman_susdat_id: NS00070989
smiles: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=CN3CCCCCC3)[C@H]2SC1(C)C
inchi:
InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12-/t14-,15+,17-/m1/s1


cas: 337457-78-0
dtxsid: DTXSID60630645
formula: C17H13F7N4O
inchikey: HCTLNRAMSIZVOR-UHFFFAOYSA-N
norman_susdat_id: NS00110904
smiles: FC(F)(F)C(F)(C1=CC2=C(NC(=O)N(C2)NCC2=CN=CC=C2)C=C1)C(F)(F)F
name:
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-3-{[(pyridin-3-yl)methyl]amino}-3,4-dihydroquinazolin-2(1H)-one

inchi:
InChI=1S/C17H13F7N4O/c18-15(16(19,20)21,17(22,23)24)12-3-4-13-11(6-12)9-28(14(29)27-13)26-8-10-2-1-5-25-7-10/h1-7,26H,8-9H2,(H,27,29)


name: Pyrifluquinazon
cas: 337458-27-2
chebiid: CHEBI:142784
chemspiderid: 10017121
dtxsid: DTXSID6058057
formula: C19H15F7N4O2
inchikey: MIOBBYRMXGNORL-UHFFFAOYSA-N
norman_susdat_id: NS00015074
pubchem_cid: 11842644
smiles: CC(=O)N1C2=C(CN(C1=O)NCC3=CN=CC=C3)C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)F
inchi:
InChI=1S/C19H15F7N4O2/c1-11(31)30-15-5-4-14(17(20,18(21,22)23)19(24,25)26)7-13(15)10-29(16(30)32)28-9-12-3-2-6-27-8-12/h2-8,28H,9-10H2,1H3


name: 3,3'-sulphonyldi(benzenesulphonohydrazide)
cas: 3375-11-9
dtxsid: DTXSID60187422
formula: C12H14N4O6S3
inchikey: BLJHFERYMGMXSC-UHFFFAOYSA-N
norman_susdat_id: NS00049207
pubchem_cid: 76902
smiles: O=S(=O)(NN)C1=CC=CC(=C1)S(=O)(=O)C=2C=CC=C(C2)S(=O)(=O)NN
inchi:
InChI=1/C12H14N4O6S3/c13-15-24(19,20)11-5-1-3-9(7-11)23(17,18)10-4-2-6-12(8-10)25(21,22)16-14/h1-8,15-16H,13-14H2


name: 9-(2-carboxylatophenyl)-3,6-bis(diethylamino)xanthylium
cas: 3375-25-5
formula: C28H30N2O3
inchikey: AIACAYCHAWRZPM-UHFFFAOYSA-M
norman_susdat_id: NS00083857
smiles: CCN(CC)c1ccc2c(c3ccccc3C(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC
inchi:
InChI=1/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3


cas: 33754-49-3
formula: C15H15FN4O.ClH
inchikey: NJERAXSSDSHLGE-UHFFFAOYSA-N
norman_susdat_id: NS00089866
smiles: Cl.CN1C(=O)CN=C(c2ccccc2F)c3c(C)nn(C)c13
name:
4-(2-fluorophenyl)-6,8-dihydro-1,3,8-trimethylpyrazolo[3,4-e][1,4]diazepin-7(1H)-one monohydrochloride

inchi:
InChI=1/C15H15FN4O.ClH/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9;/h4-7H,8H2,1-3H3;1H


name: 9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17-valerate
cas: 33755-46-3
chebiid: CHEBI:135770
formula: C27H37FO6
inchikey: SNHRLVCMMWUAJD-OMPPIWKSSA-N
norman_susdat_id: NS00089615
inchi:
InChI=1/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3

smiles:
CCCCC(=O)O[C@]4(C(=O)CO)[C@H](C)C[C@@H]1[C@]4(C)C[C@H](O)[C@]2(F)[C@@]3(C)/C=C\C(=O)/C=C3/CC[C@@H]12


name: Nordextropropoxyphene
cas: 3376-94-1
chebiid: CHEBI:166662
chemspiderid: 17756
dtxsid: DTXSID10273960
formula: C21H27NO2
inchikey: IKACRWYHQXOSGM-UHFFFAOYSA-N
norman_susdat_id: NS00100964
pubchem_cid: 18804
smiles: CCC(=O)OC(Cc1ccccc1)(c2ccccc2)C(C)CNC
inchi:
InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3


name: Hydrocortisone 21-(sodium 3-sulphonatobenzoate)
cas: 33767-03-2
formula: C28H34O9S.Na
inchikey: XGCAQYZQAVKKHC-UHFFFAOYSA-M
norman_susdat_id: NS00089616
smiles: CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na])C4(C)CC(O)C23
inchi:
InChI=1/C28H34O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,12-13,20-22,24,30,33H,6-11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/rC28H33NaO9S/c1-26-10-8-18(30)13-17(26)6-7-20-21-9-11-28(34,27(21,2)14-22(31)24(20)26)23(32)15-37-25(33)16-4-3-5-19(12-16)39(35,36)38-29/h3-5,12-13,20-22,24,31,34H,6-11,14-15H2,1-2H3


name: Cyclohexanamine, 4,4'-(1-methylethylidene)bis-
cas: 3377-24-0
chemspiderid: 69358
dtxsid: DTXSID7063001
formula: C15H30N2
inchikey: BDBZTOMUANOKRT-UHFFFAOYSA-N
norman_susdat_id: NS00029544
pubchem_cid: 76907
smiles: CC(C)(C1CCC(N)CC1)C1CCC(N)CC1
inchi:
InChI=1S/C15H30N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14H,3-10,16-17H2,1-2H3/t11-,12-,13-,14+


name: Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-, 1,1'-diacetate
cas: 33798-02-6
chemspiderid: 105953
dtxsid: DTXSID30885564
formula: C19H16Br4O4
inchikey: ZUBOJXBQSZDOID-UHFFFAOYSA-N
norman_susdat_id: NS00009229
pubchem_cid: 118551
smiles: CC(=O)Oc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OC(C)=O)c(Br)c1
inchi:
InChI=1S/C19H16Br4O4/c1-9(24)26-17-13(20)5-11(6-14(17)21)19(3,4)12-7-15(22)18(16(23)8-12)27-10(2)25/h5-8H,1-4H3


name: Perfluamine
cas: 338-83-0
chebiid: CHEBI:38850
chemspiderid: 13836500
dtxsid: DTXSID9059834
formula: C9F21N1
inchikey: JAJLKEVKNDUJBG-UHFFFAOYSA-N
norman_susdat_id: NS00001647
pubchem_cid: 67645
smiles: FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9F21N/c10-1(11,4(16,17)18)7(25,26)31(8(27,28)2(12,13)5(19,20)21)9(29,30)3(14,15)6(22,23)24


name: Fluorocarbon FC 70
cas: 338-84-1
chemspiderid: 60965
dtxsid: DTXSID4059835
formula: C15F33N1
inchikey: AQZYBQIAUSKCCS-UHFFFAOYSA-N
norman_susdat_id: NS00011158
pubchem_cid: 67646
inchi:
InChI=1S/C15F33N/c16-1(17,4(22,23)10(34,35)36)7(28,29)13(43,44)49(14(45,46)8(30,31)2(18,19)5(24,25)11(37,38)39)15(47,48)9(32,33)3(20,21)6(26,27)12(40,41)42

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


name: Deltafludrocortisone
cas: 338-95-4
chemspiderid: 3273
formula: C21H27F1O5
inchikey: WAIJIHDWAKJCBX-UHFFFAOYSA-N
norman_susdat_id: NS00040613
pubchem_cid: 127516
smiles: CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
inchi:
InChI=1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3


name: Isoflupredone 21-acetate
cas: 338-98-7
dtxsid: DTXSID3045306
formula: C23H29FO6
inchikey: ZOCUOMKMBMEYQV-UHFFFAOYSA-N
norman_susdat_id: NS00042326
pubchem_cid: 499988
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3


name: Methasterone
cas: 3381-88-2
chebiid: CHEBI:79618
chemspiderid: 207079
dtxsid: DTXSID10187472
formula: C21H34O2
inchikey: QCWCXSMWLJFBNM-FOVYBZIDSA-N
norman_susdat_id: NS00018389
pubchem_cid: 237186
smiles: CC1CC2(C(CCC3C2CCC4(C3CCC4(C)O)C)CC1=O)C
inchi:
InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1


name: Pivampicillin
cas: 33817-20-8
chebiid: CHEBI:8255
chemspiderid: 30899
dtxsid: DTXSID1045459
formula: C22H29N3O6S1
inchikey: ZEMIJUDPLILVNQ-ZXFNITATSA-N
norman_susdat_id: NS00007431
pubchem_cid: 33478
smiles: CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c1ccccc1)C2=O
inchi:
InChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1


name: Temephos
cas: 3383-96-8
chebiid: CHEBI:38954
chemspiderid: 5199
dtxsid: DTXSID1032484
formula: C16H20O6P2S3
inchikey: WWJZWCUNLNYYAU-UHFFFAOYSA-N
norman_susdat_id: NS00007937
pubchem_cid: 5392
smiles: COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1
inchi:
InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3


name: (4aalpha,5abeta,9aalpha,10abeta)-Octahydro-5aH,10aH-4a,9a-epoxydibenzo(b,e)(1,4)dioxin-5a,10a-diol
cas: 33832-15-4
chemspiderid: 20044585
dtxsid: DTXSID40187480
formula: C12H18O5
inchikey: IODJLIUJWUFTIH-NNYUYHANSA-N
norman_susdat_id: NS00029550
pubchem_cid: 12292879
smiles: OC12CCCCC31OC1(O)CCCCC1(O2)O3
inchi:
InChI=1S/C12H18O5/c13-9-5-1-3-7-11(9)16-10(14)6-2-4-8-12(10,15-9)17-11/h13-14H,1-8H2/t9-,10-,11-,12-/m0/s1


name: Ethyl 8-ethyl-5,8-dihydro-5-oxo-2-(pyrrolidinyl)pyrido[2,3-d]pyrimidine-6-carboxylate
cas: 33836-43-0
dtxsid: DTXSID30955418
formula: C16H20N4O3
inchikey: YHDMQPIYLBFFSM-UHFFFAOYSA-N
norman_susdat_id: NS00059061
pubchem_cid: 118556
smiles: O=C(OCC)C1=CN(C2=NC(=NC=C2C1=O)N3CCCC3)CC
inchi:
InChI=1/C16H20N4O3/c1-3-19-10-12(15(22)23-4-2)13(21)11-9-17-16(18-14(11)19)20-7-5-6-8-20/h9-10H,3-8H2,1-2H3


name: 5-amino-2-(p-methoxyanilino)benzenesulphonic acid
cas: 33836-66-7
dtxsid: DTXSID90955419
formula: C13H14N2O4S
inchikey: YWELRXOUPXKKMC-UHFFFAOYSA-N
norman_susdat_id: NS00059566
pubchem_cid: 118557
smiles: O=S(=O)(O)C1=CC(N)=CC=C1NC2=CC=C(OC)C=C2
inchi:
InChI=1/C13H14N2O4S/c1-19-11-5-3-10(4-6-11)15-12-7-2-9(14)8-13(12)20(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)


name: Flunisolide
cas: 3385-03-3
chebiid: CHEBI:5106
dtxsid: DTXSID1045534
formula: C24H31FO6
inchikey: XSFJVAJPIHIPKU-XWCQMRHXSA-N
norman_susdat_id: NS00067047
inchi:
InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

smiles:
[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C


name: 17-hydroxypregn-5-ene-3,20-dione cyclic bis(ethylene acetal)
cas: 3386-00-3
dtxsid: DTXSID20955447
formula: C25H38O5
inchikey: KARXFOGOCKEIEE-UHFFFAOYSA-N
norman_susdat_id: NS00048609
pubchem_cid: NA
smiles: OC1(CCC2C3CC=C4CC5(OCCO5)CCC4(C)C3CCC21C)C6(OCCO6)C
inchi:
InChI=1/C25H38O5/c1-21-10-11-24(29-14-15-30-24)16-17(21)4-5-18-19(21)6-8-22(2)20(18)7-9-25(22,26)23(3)27-12-13-28-23/h4,18-20,26H,5-16H2,1-3H3


name: 11-ß,21-dihydroxy-6-a-methylpregna-4,17(20)-dien-3-one
cas: 3386-04-7
dtxsid: DTXSID40955449
formula: C22H32O3
inchikey: URZZKSAZQICNQI-ZOUALELVSA-N
norman_susdat_id: NS00049260
pubchem_cid: 21117717
smiles: O=C1C=C2C(C)CC3C4CCC(=CCO)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C22H32O3/c1-13-10-16-17-5-4-14(7-9-23)22(17,3)12-19(25)20(16)21(2)8-6-15(24)11-18(13)21/h7,11,13,16-17,19-20,23,25H,4-6,8-10,12H2,1-3H3


name: 11ß,21-dihydroxy-6a-methylpregna-4,17(20)-dien-3-one 21-acetate
cas: 3386-05-8
dtxsid: DTXSID50955450
formula: C24H34O4
inchikey: NLUGGDMYWGAERB-USGIVHHWSA-N
norman_susdat_id: NS00049261
pubchem_cid: 21117718
smiles: O=C(OCC=C1CCC2C3CC(C4=CC(=O)CCC4(C)C3C(O)CC12C)C)C
inchi:
InChI=1/C24H34O4/c1-14-11-18-19-6-5-16(8-10-28-15(2)25)24(19,4)13-21(27)22(18)23(3)9-7-17(26)12-20(14)23/h8,12,14,18-19,21-22,27H,5-7,9-11,13H2,1-4H3


name: Nonaethylene glycol
cas: 3386-18-3
chebiid: CHEBI:39784
chemspiderid: 4701
dtxsid: DTXSID10187492
formula: C18H38O10
inchikey: YZUUTMGDONTGTN-UHFFFAOYSA-N
norman_susdat_id: NS00010525
pubchem_cid: 4867
smiles: O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2


name: 8,16-Pyranthrenedione, 6,14-dichloro-
cas: 33860-91-2
chemspiderid: 105962
dtxsid: DTXSID7067796
formula: C30H12Cl2O2
inchikey: JZVDCVJKBDSRLT-UHFFFAOYSA-N
norman_susdat_id: NS00029558
pubchem_cid: 118560
smiles: Clc1cc2c3c(cc4c(Cl)cc5C(=O)c6c(cccc6)c6cc1c3c4c56)c1ccccc1C2=O
inchi:
InChI=1S/C30H12Cl2O2/c31-23-12-22-26-18(14-6-2-4-8-16(14)30(22)34)10-20-24(32)11-21-25-17(9-19(23)28(26)27(20)25)13-5-1-3-7-15(13)29(21)33/h1-12H


name: 4-(dipropylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 33864-17-4
formula: C12H18N3.1/2Cl4Zn
inchikey: POOUDMXGEIGQOM-UHFFFAOYSA-J
norman_susdat_id: NS00089859
smiles: CCCN(CCC)c1ccc(cc1)[N+]#N.CCCN(CCC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C12H18N3.4ClH.Zn/c2*1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12;;;;;/h2*5-8H,3-4,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H18N3.Cl4Zn/c2*1-3-9-15(10-4-2)12-7-5-11(14-13)6-8-12;1-5(2,3)4/h2*5-8H,3-4,9-10H2,1-2H3;/q2*+1;-2


cas: 33869-97-5
dtxsid: DTXSID40187501
formula: C23H23Cl2N6O2S
inchikey: ZTDOWSYGFNKZEF-UHFFFAOYSA-M
norman_susdat_id: NS00059568
pubchem_cid: 56842409
smiles: [Cl-].N#CCCN(C1=CC=C(N=NC2=C(Cl)C=C(C=C2Cl)S(=O)(=O)NCC[N+]=3C=CC=CC3)C=C1)C
name:
1-[2-[[[3,5-dichloro-4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]phenyl]sulphonyl]amino]ethyl]pyridinium chloride

inchi:
InChI=1/C23H23Cl2N6O2S.ClH/c1-30(12-5-10-26)19-8-6-18(7-9-19)28-29-23-21(24)16-20(17-22(23)25)34(32,33)27-11-15-31-13-3-2-4-14-31;/h2-4,6-9,13-14,16-17,27H,5,11-12,15H2,1H3;1H/q+1;/p-1


name: Disodium uridine-5'-monophosphate
cas: 3387-36-8
formula: C9H13N2O9P.2Na
inchikey: KURVIXMFFSNONZ-UHFFFAOYSA-L
norman_susdat_id: NS00083569
smiles: OC1C(O)C(OC1COP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O
inchi:
InChI=1/C9H13N2O9P.2Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18);;/q;2*+1/p-2/rC9H11N2Na2O9P/c12-21-23(18,22-13)19-3-4-6(15)7(16)8(20-4)11-2-1-5(14)10-9(11)17/h1-2,4,6-8,15-16H,3H2,(H,10,14,17)


name: N-(carboxymethyl)-N-[2-[(carboxymethyl)amino]-2-hydroxyethyl]glycine
cas: 33872-70-7
dtxsid: DTXSID50885566
formula: C8H14N2O7
inchikey: FSRYXNMJLCNZSB-UHFFFAOYSA-N
norman_susdat_id: NS00059062
pubchem_cid: 118109
smiles: O=C(O)CNC(O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1/C8H14N2O7/c11-5(9-1-6(12)13)2-10(3-7(14)15)4-8(16)17/h5,9,11H,1-4H2,(H,12,13)(H,14,15)(H,16,17)


name: Chloro-o-tolylmagnesium
cas: 33872-80-9
formula: C7H7ClMg
inchikey: DSJSQDNPAOUFOJ-UHFFFAOYSA-M
norman_susdat_id: NS00089906
smiles: Cc1ccccc1[Mg]Cl
inchi:
InChI=1/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7ClMg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3


name: 2,6,6,7,8,8-Hexamethyldecahydro-2H-indeno[4,5-b]furan
cas: 338735-71-0
chemspiderid: 23350848
dtxsid: DTXSID9051373
formula: C17H30O1
inchikey: YFHKETGXYQOMGB-UHFFFAOYNA-N
norman_susdat_id: NS00020797
pubchem_cid: NA
smiles: CC1CC2CCC3C(C2O1)C(C)(C)C(C)C3(C)C
inchi:
InChI=1S/C17H30O/c1-10-9-12-7-8-13-14(15(12)18-10)17(5,6)11(2)16(13,3)4/h10-15H,7-9H2,1-6H3/t10-,11+,12+,13-,14-,15+/m1/s1


name: N,n-bis[(4-chlorophenyl)methyl]-2h-1,2,3,4-tetrazol-5-amine
cas: 338777-69-8
dtxsid: DTXSID50332267
formula: C15H13Cl2N5
inchikey: UOUXILZUBDIWQU-UHFFFAOYSA-N
norman_susdat_id: NS00070285
pubchem_cid: 447980
smiles: Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nn[nH]n2)cc1
inchi:
InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-22(15-18-20-21-19-15)10-12-3-7-14(17)8-4-12/h1-8H,9-10H2,(H,18,19,20,21)


name: Bis[(tetrahydrofuran-2-yl)methyl] phthalate
cas: 3388-01-0
dtxsid: DTXSID40883970
formula: C18H22O6
inchikey: FVNABQUYTVWAOS-UHFFFAOYSA-N
norman_susdat_id: NS00049944
pubchem_cid: 102991
smiles: O=C(OCC1OCCC1)C=2C=CC=CC2C(=O)OCC3OCCC3
inchi:
InChI=1/C18H22O6/c19-17(23-11-13-5-3-9-21-13)15-7-1-2-8-16(15)18(20)24-12-14-6-4-10-22-14/h1-2,7-8,13-14H,3-6,9-12H2


name: Diisooctyl 3,3'-dithiodipropionate
cas: 33881-78-6
chemspiderid: 9118
dtxsid: DTXSID7067798
formula: C22H42O4S2
inchikey: LIZUJZXUWGTFLF-UHFFFAOYSA-N
norman_susdat_id: NS00029562
pubchem_cid: 118565
smiles: CC(C)CCCCCOC(=O)CCSSCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C22H42O4S2/c1-19(2)11-7-5-9-15-25-21(23)13-17-27-28-18-14-22(24)26-16-10-6-8-12-20(3)4/h19-20H,5-18H2,1-4H3


name: Clonazolam
cas: 33887-02-4
chemspiderid: 15468596
formula: C17H12Cl1N5O2
inchikey: XJRGLCAWBRZUFC-UHFFFAOYSA-N
norman_susdat_id: NS00017981
pubchem_cid: 12317881
smiles: Clc1ccccc1C1=NCc2n(c3c1cc(cc3)N(=O)=O)c(nn2)C
inchi:
InChI=1S/C17H12ClN5O2/c1-10-20-21-16-9-19-17(12-4-2-3-5-14(12)18)13-8-11(23(24)25)6-7-15(13)22(10)16/h2-8H,9H2,1H3


name: Silicristin
cas: 33889-69-9
chebiid: CHEBI:9143
chemspiderid: 390364
dtxsid: DTXSID50187512
formula: C25H22O10
inchikey: BMLIIPOXVWESJG-LMBCONBSSA-N
norman_susdat_id: NS00029563
pubchem_cid: 441764
smiles: COc1cc(ccc1O)[C@@H]1Oc2c(O)cc(cc2[C@H]1CO)[C@H]1Oc2cc(O)cc(O)c2C(=O)[C@@H]1O
inchi:
InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1


name: 2-(N-ethylanilino)ethyl carbanilate
cas: 33898-93-0
dtxsid: DTXSID30885569
formula: C17H20N2O2
inchikey: HCTKHJQOFVNFCC-UHFFFAOYSA-N
norman_susdat_id: NS00054350
pubchem_cid: 118570
smiles: O=C(OCCN(C=1C=CC=CC1)CC)NC=2C=CC=CC2
inchi:
InChI=1/C17H20N2O2/c1-2-19(16-11-7-4-8-12-16)13-14-21-17(20)18-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3,(H,18,20)


name: 4-Chloro-2-tetradecylphenol
cas: 33899-46-6
chemspiderid: 105972
dtxsid: DTXSID70187519
formula: C20H33Cl1O1
inchikey: VKSJURFRQSREMB-UHFFFAOYSA-N
norman_susdat_id: NS00029567
pubchem_cid: 118571
smiles: CCCCCCCCCCCCCCc1c(O)ccc(Cl)c1
inchi:
InChI=1S/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(21)15-16-20(18)22/h15-17,22H,2-14H2,1H3


cas: 33899-51-3
chemspiderid: 105973
dtxsid: DTXSID80187520
formula: C39H49Cl3N4O4
inchikey: RLZCJKPEVBDVNT-UHFFFAOYSA-N
norman_susdat_id: NS00029568
pubchem_cid: 118572
smiles: CCCCCCCCCCCCCCCc1cccc(OCCOC(=O)Nc2ccc(NC3=NN(C(=O)C3)c3c(Cl)cc(Cl)cc3Cl)cc2)c1
name:
2-(3-Pentadecylphenoxy)ethyl (4-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)carbamate

inchi:
InChI=1S/C39H49Cl3N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-29-17-15-18-33(25-29)49-23-24-50-39(48)44-32-21-19-31(20-22-32)43-36-28-37(47)46(45-36)38-34(41)26-30(40)27-35(38)42/h15,17-22,25-27H,2-14,16,23-24,28H2,1H3,(H,43,45)(H,44,48)


name: Retinoic acid, methyl ester
cas: 339-16-2
chemspiderid: 4527560
formula: C21H30O2
inchikey: SREQLAJQLXPNMC-DXYSAURFSA-N
norman_susdat_id: NS00114103
pubchem_cid: 5378821
smiles: CC(/C=C/C=C(/C=C/C1=C(CCCC(C)1C)C)C)=CC(OC)=O
inchi:
InChI=1S/C21H30O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+


name: Carbutamide
cas: 339-43-5
chebiid: CHEBI:135118
chemspiderid: 9189
dtxsid: DTXSID8022741
formula: C11H17N3O3S1
inchikey: VDTNNGKXZGSZIP-UHFFFAOYSA-N
norman_susdat_id: NS00004529
pubchem_cid: 9564
smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)


name: Glycodiazine
cas: 339-44-6
chebiid: CHEBI:146188
chemspiderid: 9190
dtxsid: DTXSID1023108
formula: C13H15N3O4S1
inchikey: QFWPJPIVLCBXFJ-UHFFFAOYSA-N
norman_susdat_id: NS00009911
pubchem_cid: 9565
smiles: COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
inchi:
InChI=1S/C13H15N3O4S/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,14,15,16)


name: 1,3,5-trimethyl-1,1,3,5,5-pentaphenyltrisiloxane
cas: 3390-61-2
dtxsid: DTXSID7063007
formula: C33H34O2Si3
inchikey: PHLASVAENYNAOW-UHFFFAOYSA-N
norman_susdat_id: NS00049946
pubchem_cid: 76925
smiles: O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C
inchi:
InChI=1/C33H34O2Si3/c1-36(29-19-9-4-10-20-29,30-21-11-5-12-22-30)34-38(3,33-27-17-8-18-28-33)35-37(2,31-23-13-6-14-24-31)32-25-15-7-16-26-32/h4-28H,1-3H3


name: 5-benzoyl-n2-tert-butyl-1,3-thiazole-2,4-diamine
cas: 339020-31-4
formula: C14H17N3OS
inchikey: KEHNGAHNKVLUSC-UHFFFAOYSA-N
norman_susdat_id: NS00068458
pubchem_cid: 1484819
smiles: CC(C)(C)Nc1nc(N)c(C(=O)c2ccccc2)s1
inchi:
InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)


name: Pregna-1,4-diene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, disodium salt
cas: 33903-70-7
dtxsid: DTXSID60187528
formula: C21H27O8P
inchikey: JOGWEWVSRLYXFJ-PWEPTXNASA-N
norman_susdat_id: NS00054351
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COP(=O)(O)O)C
inchi:
InChI=1/C21H27O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h5,7,9,14-15,18,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1


name: GLYCOL HYDROXYSTEA- RATE
cas: 33907-46-9
chemspiderid: 105553
formula: C20H40O4
inchikey: VZURHXVELPKQNZ-UHFFFAOYSA-N
norman_susdat_id: NS00013714
pubchem_cid: 118116
smiles: CCCCCCCCCCCCCCCCC(O)C(=O)OC(C)O
inchi:
InChI=1S/C20H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20(23)24-18(2)21/h18-19,21-22H,3-17H2,1-2H3


name: PROPYLENE GLYCOL HYDROXYSTEARATE
cas: 33907-47-0
chebiid: CHEBI:19660
chemspiderid: 62625
formula: C18H36O3
inchikey: KIHBGTRZFAVZRV-UHFFFAOYSA-N
norman_susdat_id: NS00014018
pubchem_cid: 69417
smiles: CCCCCCCCCCCCCCCCC(O)C([O-])=O.CC(O)CO
inchi:
InChI=1S/C18H36O3.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;1-3(5)2-4/h17,19H,2-16H2,1H3,(H,20,21);3-5H,2H2,1H3/p-1


name: Benzyl [S-(R*,R*)]-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-methylbutyl]carbamate
cas: 3391-99-9
dtxsid: DTXSID00955501
formula: C18H22N2O6
inchikey: XQPVVBMUTQVELT-UHFFFAOYSA-N
norman_susdat_id: NS00048614
pubchem_cid: 102994
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)C(C)CC
inchi:
InChI=1/C18H22N2O6/c1-3-12(2)16(17(23)26-20-14(21)9-10-15(20)22)19-18(24)25-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,24)


name: Methylenedinaphthalene-1,2-diyl bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 33910-44-0
formula: C41H24N4O8S2
inchikey: ACKWMZRBCBIVRX-UHFFFAOYSA-N
norman_susdat_id: NS00055671
pubchem_cid: 99713521
inchi:
InChI=1/C41H24N4O8S2/c42-44-34-19-17-28-30(40(34)46)11-5-13-38(28)54(48,49)52-36-21-15-24-7-1-3-9-26(24)32(36)23-33-27-10-4-2-8-25(27)16-22-37(33)53-55(50,51)39-14-6-12-31-29(39)18-20-35(45-43)41(31)47/h1-22H,23H2

smiles:
N#N=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C=CC=4C=CC=CC4C3CC5=C(OS(=O)(=O)C=6C=CC=C7C(=O)C(=N#N)C=CC76)C=CC=8C=CC=CC85)C1=O


name: Aminoguanidine, compound with 5,5'-azobis[1H-tetrazole]
cas: 33910-56-4
dtxsid: DTXSID60955502
formula: C2H2N10
inchikey: USBHJVHLBXKLBP-UHFFFAOYSA-N
norman_susdat_id: NS00054722
pubchem_cid: 4137643
smiles: N=C(N)NN.N1=NNC(=N1)N=NC2=NN=NN2
inchi:
InChI=1/C2H2N10.CH6N4/c3(1-5-9-10-6-1)4-2-7-11-12-8-2;2-1(3)5-4/h(H,5,6,9,10)(H,7,8,11,12);4H2,(H4,2,3,5)


name: N-[N-[(benzyloxy)carbonyl]glycyl]-L-valine
cas: 33912-87-7
dtxsid: DTXSID40955505
formula: C15H20N2O5
inchikey: RQLYPCLOROQBGI-ZDUSSCGKSA-N
norman_susdat_id: NS00054804
pubchem_cid: 7360813
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)NC(C(=O)O)C(C)C
inchi:
InChI=1/C15H20N2O5/c1-10(2)13(14(19)20)17-12(18)8-16-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)


name: Triallyl 2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-tripropionate
cas: 33919-45-8
chemspiderid: 105974
dtxsid: DTXSID80187540
formula: C21H27N3O9
inchikey: FGVDSXMHQJSIBA-UHFFFAOYSA-N
norman_susdat_id: NS00029570
pubchem_cid: 118573
smiles: C=CCOC(=O)CCn1c(=O)n(CCC(=O)OCC=C)c(=O)n(CCC(=O)OCC=C)c1=O
inchi:
InChI=1S/C21H27N3O9/c1-4-13-31-16(25)7-10-22-19(28)23(11-8-17(26)32-14-5-2)21(30)24(20(22)29)12-9-18(27)33-15-6-3/h4-6H,1-3,7-15H2


name: Succinimido N-(tert-butoxycarbonyl)isoleucinate
cas: 3392-08-3
formula: C15H24N2O6
inchikey: FATJLEZSGFVHQA-UHFFFAOYSA-N
norman_susdat_id: NS00048632
pubchem_cid: 100121
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)C(C)CC
inchi:
InChI=1/C15H24N2O6/c1-6-9(2)12(16-14(21)22-15(3,4)5)13(20)23-17-10(18)7-8-11(17)19/h9,12H,6-8H2,1-5H3,(H,16,21)


name: tert-butyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]carbamate
cas: 3392-09-4
formula: C15H24N2O6
inchikey: WXRGJQZMGGGTSS-JTQLQIEISA-N
norman_susdat_id: NS00048633
pubchem_cid: 11023929
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CC(C)C
inchi:
InChI=1/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)


name: tert-butyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]carbamate
cas: 3392-11-8
dtxsid: DTXSID00187542
formula: C20H23N3O6
inchikey: CPJXMXQYRHNIFU-HNNXBMFYSA-N
norman_susdat_id: NS00049248
pubchem_cid: 98767
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)CC2=CNC=3C=CC=CC32
inchi:
InChI=1/C20H23N3O6/c1-20(2,3)28-19(27)22-15(18(26)29-23-16(24)8-9-17(23)25)10-12-11-21-14-7-5-4-6-13(12)14/h4-7,11,15,21H,8-10H2,1-3H3,(H,22,27)


name: tert-butyl (S)-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-methylpropyl]carbamate
cas: 3392-12-9
dtxsid: DTXSID60187543
formula: C14H22N2O6
inchikey: POBDBYGSGKMZPH-NSHDSACASA-N
norman_susdat_id: NS00048634
pubchem_cid: 98768
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)C(C)C
inchi:
InChI=1/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)


name: 5-Chloro-2-methoxy-N-(2-phenylethyl)benzamide
cas: 33924-49-1
chemspiderid: 105976
dtxsid: DTXSID00187547
formula: C16H16Cl1N1O2
inchikey: MTPTUMXFGUUUSZ-UHFFFAOYSA-N
norman_susdat_id: NS00029572
pubchem_cid: 118575
smiles: COc1ccc(Cl)cc1C(=O)NCCc1ccccc1
inchi:
InChI=1S/C16H16ClNO2/c1-20-15-8-7-13(17)11-14(15)16(19)18-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19)


name: 2'-deoxyinosine 5'-monophosphate
cas: 3393-18-8
chebiid: CHEBI:61194
formula: C10H13N4O7P
inchikey: PHNGFPPXDJJADG-RRKCRQDMSA-L
norman_susdat_id: NS00100414
smiles: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n2cnc3c(O)ncnc23
inchi:
InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/p-2


name: Glutathionylspermidine
cas: 33932-35-3
chebiid: CHEBI:16613
dtxsid: DTXSID10955517
formula: C17H34N6O5S
inchikey: NEDQLXHBVHSKNV-STQMWFEESA-N
norman_susdat_id: NS00069416
pubchem_cid: 440772
smiles: NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O
inchi:
InChI=1S/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t12-,13-/m0/s1


name: SODIUM CETETH-13 CAR- BOXYLATE
cas: 33939-65-0
chemspiderid: 148279
formula: C20H40O4
inchikey: NNDGDRQCWKEWCC-UHFFFAOYSA-N
norman_susdat_id: NS00014051
pubchem_cid: 169552
smiles: [Na+].CCCCCCCCCCCCCCCCOCCOCC([O-])=O
inchi:
InChI=1S/C20H40O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1


name: Atropine hydrochloride
cas: 33952-38-4
formula: C17H23NO3.ClH
inchikey: OJIPQOWZZMSBGY-RIMUKSHESA-N
norman_susdat_id: NS00087501
smiles: Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3
inchi:
InChI=1/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H


cas: 33952-87-3
formula: C46H55Cl3N6O5
inchikey: SGSWOVJPIPGGEE-UHFFFAOYSA-N
norman_susdat_id: NS00054807
pubchem_cid: NA
name:
2-(3-pentadecylphenoxy)ethyl [4-[[4,5-dihydro-4-[(4-methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]carbamate

inchi:
InChI=1/C46H55Cl3N6O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-33-18-16-19-39(30-33)59-28-29-60-46(57)51-36-22-20-35(21-23-36)50-44-42(53-52-37-24-26-38(58-2)27-25-37)45(56)55(54-44)43-40(48)31-34(47)32-41(43)49/h16,18-27,30-32,42H,3-15,17,28-29H2,1-2H3,(H,50,54)(H,51,57)

smiles:
O=C(OCCOC1=CC=CC(=C1)CCCCCCCCCCCCCCC)NC2=CC=C(C=C2)NC3=NN(C(=O)C3N=NC4=CC=C(OC)C=C4)C=5C(Cl)=CC(Cl)=CC5Cl


name: 1H-2-Benzopyrano[6',5',4':10,5,6]anthra[2,1,9-def]isoquinoline-1,3,8,10(9H)-tetrone
cas: 33955-42-9
chemspiderid: 105981
dtxsid: DTXSID4067802
formula: C24H9N1O5
inchikey: DEEPEOMBESAOEX-UHFFFAOYSA-N
norman_susdat_id: NS00029581
pubchem_cid: 118580
smiles: O=C1NC(=O)C2=C3C1=CC=C1C4=C5C(=CC=C6C(=O)OC(=O)C(C=C4)=C56)C(C=C2)=C31
inchi:
InChI=1S/C24H9NO5/c26-21-13-5-1-9-11-3-7-15-20-16(24(29)30-23(15)28)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,25,26,27)


name: Perylene-3,4-dicarboximide
cas: 33955-44-1
chemspiderid: 9933746
dtxsid: DTXSID10471924
formula: C22H11N1O2
inchikey: LBOJSACZVLWUHN-UHFFFAOYSA-N
norman_susdat_id: NS00004698
pubchem_cid: 11759047
smiles: O=c1[nH]c(=O)c2ccc3c4cccc5cccc(c6ccc1c2c36)c45
inchi:
InChI=1S/C22H11NO2/c24-21-16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(25)23-21)20(16)19(14)15/h1-10H,(H,23,24,25)


name: N-(1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide
cas: 33956-01-3
dtxsid: DTXSID60865697
formula: C36H52ClN3O3
inchikey: YVJFRAPRCAGGMR-UHFFFAOYSA-N
norman_susdat_id: NS00054352
pubchem_cid: 118121
smiles: O=C(N=C1NN(C(=O)C1)C2=C(Cl)C=C(C=C2C)C)C(OC3=CC=CC(=C3)CCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C36H52ClN3O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21-19-22-30(25-29)43-32(6-2)36(42)38-33-26-34(41)40(39-33)35-28(4)23-27(3)24-31(35)37/h19,21-25,32H,5-18,20,26H2,1-4H3,(H,38,39,42)


name: Tetranactin
cas: 33956-61-5
chebiid: CHEBI:9497
chemspiderid: 389954
dtxsid: DTXSID1058058
formula: C44H72O12
inchikey: NKNPHSJWQZXWIX-DCVDGXQQSA-N
norman_susdat_id: NS00029582
pubchem_cid: 441165
inchi:
InChI=1S/C44H72O12/c1-9-29-21-33-13-17-38(49-33)26(6)42(46)54-31(11-3)23-35-15-19-40(51-35)28(8)44(48)56-32(12-4)24-36-16-20-39(52-36)27(7)43(47)55-30(10-2)22-34-14-18-37(50-34)25(5)41(45)53-29/h25-40H,9-24H2,1-8H3/t25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,38+,39+,40-

smiles:
CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1


name: 2,4,5,7-Tetranitroacridin-9(10H)-one
cas: 33963-94-9
chemspiderid: 105982
dtxsid: DTXSID70187579
formula: C13H5N5O9
inchikey: IWAAXWFVRXGJLD-UHFFFAOYSA-N
norman_susdat_id: NS00029585
pubchem_cid: 118581
smiles: [O-][N+](=O)c1cc2c([nH]c3c(cc(cc3c2=O)[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-]
inchi:
InChI=1S/C13H5N5O9/c19-13-7-1-5(15(20)21)3-9(17(24)25)11(7)14-12-8(13)2-6(16(22)23)4-10(12)18(26)27/h1-4H,(H,14,19)


name: N-acetylcitrulline
cas: 33965-42-3
chebiid: CHEBI:49002
dtxsid: DTXSID30349676
formula: C8H15N3O4
inchikey: WMQMIOYQXNRROC-LURJTMIESA-N
norman_susdat_id: NS00070560
pubchem_cid: 656979
smiles: CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O
inchi:
InChI=1S/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)/t6-/m0/s1


name: Rosoxacin
cas: 33965-85-4
chebiid: CHEBI:131715
chemspiderid: 253208
formula: C17H14N2O3
inchikey: XBPZXDSZHPDXQU-UHFFFAOYSA-N
norman_susdat_id: NS00011857
pubchem_cid: 287180
smiles: CCn1cc(c(=O)c2c1cc(cc2)c3ccncc3)C(=O)O
inchi:
InChI=1S/C17H14N2O3/c1-2-19-10-14(17(21)22)16(20)13-4-3-12(9-15(13)19)11-5-7-18-8-6-11/h3-10H,2H2,1H3,(H,21,22)


name: N-(1-oxooctadecyl)-L-glutamic acid
cas: 3397-16-8
chebiid: CHEBI:165566
formula: C23H43NO5
inchikey: ATFFFUXLAJBBDE-FQEVSTJZSA-N
norman_susdat_id: NS00083214
smiles: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1/C23H43NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)


name: Ornipressin
cas: 3397-23-7
chebiid: CHEBI:136020
formula: C45H63N13O12S2
inchikey: MUNMIGOEDGHVLE-LGYYRGKSSA-N
norman_susdat_id: NS00049980
pubchem_cid: 14257660
inchi:
InChI=1/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)

smiles:
O=C(N)CNC(=O)C(NC(=O)C1N(C(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CSSC2)CC3=CC=C(O)C=C3)CC=4C=CC=CC4)CCC(=O)N)CC(=O)N)CCC1)CCCN


name: Benzyl (S)-[2-[(2,5-dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-(phenylmethyl)ethyl]-carbamate
cas: 3397-32-8
dtxsid: DTXSID00955546
formula: C21H20N2O6
inchikey: MOJNKVWQJKPXCT-KRWDZBQOSA-N
norman_susdat_id: NS00049324
pubchem_cid: 12876457
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)CC=3C=CC=CC3
inchi:
InChI=1/C21H20N2O6/c24-18-11-12-19(25)23(18)29-20(26)17(13-15-7-3-1-4-8-15)22-21(27)28-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)


name: Benzyl (S)-2-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]pyrrolidine-1-carboxylate
cas: 3397-33-9
dtxsid: DTXSID60955547
formula: C17H18N2O6
inchikey: BDNYCEKWUBRCBJ-ZDUSSCGKSA-N
norman_susdat_id: NS00048692
pubchem_cid: 853482
smiles: O=C(OCC=1C=CC=CC1)N2CCCC2C(=O)ON3C(=O)CCC3=O
inchi:
InChI=1/C17H18N2O6/c20-14-8-9-15(21)19(14)25-16(22)13-7-4-10-18(13)17(23)24-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2


name: Benzyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-3-methylbutyl]carbamate
cas: 3397-35-1
dtxsid: DTXSID20955548
formula: C18H22N2O6
inchikey: YHZUOMRURVTBMO-AWEZNQCLSA-N
norman_susdat_id: NS00049297
pubchem_cid: 11089751
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)CC(C)C
inchi:
InChI=1/C18H22N2O6/c1-12(2)10-14(17(23)26-20-15(21)8-9-16(20)22)19-18(24)25-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,24)


name: Clivorine
cas: 33979-15-6
chemspiderid: 4447446
dtxsid: DTXSID3020334
formula: C21H27NO7
inchikey: YEGVHSDONMXATH-LKVOMWJFSA-N
norman_susdat_id: NS00094674
pubchem_cid: 5284370
smiles: C[C@H]1C=C(C=C)/C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@]1(C)OC(C)=O)C23[O-]
inchi:
InChI=1S/C21H27NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17H,1,8-10,12H2,2-5H3/b15-11-/t13-,17+,20-,21?,22?/m0/s1


name: Glucopyranoside,4-aminophenyl
cas: 3398-86-5
dtxsid: DTXSID90332185
formula: C12H17NO6
inchikey: MIAKOEWBCMPCQR-IIRVCBMXSA-N
norman_susdat_id: NS00070108
pubchem_cid: 445340
smiles: Nc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1
inchi:
InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1


cas: 33981-19-0
formula: C19H19N3O4S
inchikey: VRZMESZQDKLNTR-UHFFFAOYSA-N
norman_susdat_id: NS00088019
smiles: CN(C)c1ccc(cc1)C=C3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O
name:
4-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C19H19N3O4S/c1-13-18(12-14-4-6-15(7-5-14)21(2)3)19(23)22(20-13)16-8-10-17(11-9-16)27(24,25)26/h4-12H,1-3H3,(H,24,25,26)


name: 2,1,3-Benzoxadiazol-4-amine, N-[(4-methoxyphenyl)methyl]-7-nitro-
cas: 33984-50-8
chemspiderid: 89942
dtxsid: DTXSID9067805
formula: C14H12N4O4
inchikey: IENONFJSMWUIQQ-UHFFFAOYSA-N
norman_susdat_id: NS00029589
pubchem_cid: 99555
smiles: COc1ccc(CNc2ccc(c3nonc23)[N+](=O)[O-])cc1
inchi:
InChI=1S/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3


name: Enviomycine
cas: 33987-25-6
chemspiderid: 16736480
formula: C25H43N13O10
inchikey: HPWIIERXAFODPP-GHBBWTPBSA-N
norman_susdat_id: NS00011553
pubchem_cid: 20055267
inchi:
InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1

smiles:
C1CN=C(N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N)N


name: 2-naphthyl-ß-D-galactopyranoside
cas: 33993-25-8
formula: C16H18O6
inchikey: YNMKFUOCBICEJF-LYYZXLFJSA-N
norman_susdat_id: NS00054398
pubchem_cid: 21119741
smiles: [O-]C1OC(CO)C(O)C(O)C1OC2=CC=CC=3C=CC=CC23
inchi:
InChI=1/C16H17O6/c17-8-12-13(18)14(19)15(16(20)22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-19H,8H2/q-1


name: Cholest-5-en-3ß-yl phenylacetate
cas: 33998-26-4
dtxsid: DTXSID70955578
formula: C35H52O2
inchikey: JHFRODPXYCPTCM-WASXNZKASA-N
norman_susdat_id: NS00054854
pubchem_cid: 118127
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CC=5C=CC=CC5
inchi:
InChI=1/C35H52O2/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-23-28(37-33(36)22-26-12-7-6-8-13-26)18-20-34(27,4)32(29)19-21-35(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3


name: Tonapofylline
cas: 340021-17-2
dtxsid: DTXSID30187611
formula: C22H32N4O4
inchikey: ZWTVVWUOTJRXKM-UHFFFAOYSA-N
norman_susdat_id: NS00068373
pubchem_cid: 216466
smiles: CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)O)(CC3)CC4)nc2n(CCC)c1=O
inchi:
InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)


name: 2-Ethylhexyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
cas: 340034-61-9
dtxsid: DTXSID00896521
formula: C14H17F11O3
inchikey: FXZCUFFOPKNPDY-UHFFFAOYSA-N
norman_susdat_id: NS00109067
smiles: CCCCC(CC)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C14H17F11O3/c1-3-5-6-8(4-2)7-27-9(26)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h8H,3-7H2,1-2H3


cas: 340036-47-7
dtxsid: DTXSID70896750
formula: C13H9F17O4
inchikey: YZDSELBNEDMUEC-UHFFFAOYSA-N
norman_susdat_id: NS00111517
smiles: CC(C)COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
2-Methylpropyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

inchi:
InChI=1/C13H9F17O4/c1-4(2)3-32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h4H,3H2,1-2H3


name: Tetrasodium dicarboxyethyl stearyl sulfosuccinamate
cas: 3401-73-8
chemspiderid: 17791
dtxsid: DTXSID4042464
formula: C26H47N1O10S1
inchikey: MGOSHXOKQRAOJY-UHFFFAOYSA-N
norman_susdat_id: NS00014153
pubchem_cid: 18842
inchi:
InChI=1S/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(26(33)34)19-23(28)29)25(32)22(20-24(30)31)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,28,29)(H,30,31)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCCCCCCCCN(C(CC([O-])=O)C([O-])=O)C(=O)C(CC([O-])=O)[S]([O-])(=O)=O


name: DILAURYLDIMONIUM CHLORIDE
cas: 3401-74-9
chemspiderid: 17630
formula: C26H56N1
inchikey: QQJDHWMADUVRDL-UHFFFAOYSA-N
norman_susdat_id: NS00013591
pubchem_cid: 18670
smiles: [Cl-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1S/C26H56N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1


name: N-2-Pyrimidinylperfluoro-2-(2-propoxypropoxy)propanamide
cas: 340131-92-2
dtxsid: DTXSID70897545
formula: C13H4F17N3O3
inchikey: VPTHWNGRLDBEJL-UHFFFAOYSA-N
norman_susdat_id: NS00111532
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)NC1=NC=CC=N1)C(F)(F)F
inchi:
InChI=1/C13H4F17N3O3/c14-6(9(18,19)20,4(34)33-5-31-2-1-3-32-5)35-13(29,30)8(17,11(24,25)26)36-12(27,28)7(15,16)10(21,22)23/h1-3H,(H,31,32,33,34)


name: 1-Bromo-3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)benzene
cas: 340157-97-3
dtxsid: DTXSID00895711
formula: C16H8BrF17
inchikey: AFJHWCKFHITISQ-UHFFFAOYSA-N
norman_susdat_id: NS00108999
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)CCc1cccc(Br)c1
inchi:
InChI=1S/C16H8BrF17/c17-8-3-1-2-7(6-8)4-5-9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)34/h1-3,6H,4-5H2


name: Lead dibromate
cas: 34018-28-5
formula: BrHO3.1/2Pb
inchikey: RDQAROAGXMVOKC-UHFFFAOYSA-L
norman_susdat_id: NS00087497
smiles: [Pb+2].[O-]Br(=O)=O.[O-]Br(=O)=O
inchi:
InChI=1/2BrHO3.Pb.2H/c2*2-1(3)4;;;/h2*(H,2,3,4);;;/q;;+4;;/p-2/r2BrHO3.H2Pb/c2*2-1(3)4;/h2*(H,2,3,4);1H2/q;;+4/p-2


name: N2-acetyl-L-asparagine, compound with 2-(dimethylamino)ethanol (1:1)
cas: 34020-20-7
formula: C6H10N2O4.C4H11NO
inchikey: RZTZUYWLKUADNV-WCCKRBBISA-N
norman_susdat_id: NS00087291
smiles: CN(C)CCO.CC(=O)N[C@@H](CC(=O)N)C(=O)O
inchi:
InChI=1/C6H10N2O4.C4H11NO/c1-3(9)8-4(6(11)12)2-5(7)10;1-5(2)3-4-6/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12);6H,3-4H2,1-2H3


name: 10-[3-(dimethylammonio)propyl]-2-methoxy-10H-phenothiazinium maleate
cas: 3403-42-7
formula: C18H22N2OS.C4H4O4
inchikey: ZWLMLVIUWRUDBD-BTJKTKAUSA-N
norman_susdat_id: NS00083280
smiles: COc1ccc2Sc3ccccc3[NH+](CCC[NH+](C)C)c2c1.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C18H22N2OS.C4H4O4/c1-19(2)11-6-12-20-15-7-4-5-8-17(15)22-18-10-9-14(21-3)13-16(18)20;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: p-fluorophenyl 4-(p-fluorophenyl)-4-hydroxy-1-methyl-3-piperidyl ketone hydrochloride
cas: 34039-01-5
dtxsid: DTXSID00955602
formula: C19H19F2NO2
inchikey: CYOZUHQDTNOEIO-UHFFFAOYSA-N
norman_susdat_id: NS00054408
pubchem_cid: 36663
smiles: Cl.O=C(C1=CC=C(F)C=C1)C2CN(C)CCC2(O)C3=CC=C(F)C=C3
inchi:
InChI=1/C19H19F2NO2.ClH/c1-22-11-10-19(24,14-4-8-16(21)9-5-14)17(12-22)18(23)13-2-6-15(20)7-3-13;/h2-9,17,24H,10-12H2,1H3;1H


name: Sudoxicam
cas: 34042-85-8
dtxsid: DTXSID50187653
formula: C13H11N3O4S2
inchikey: SYCHUQUJURZQMO-UHFFFAOYSA-N
norman_susdat_id: NS00054794
pubchem_cid: 54682951
smiles: O=C(NC1=NC=CS1)C2=C(O)C=3C=CC=CC3S(=O)(=O)N2C
inchi:
InChI=1/C13H11N3O4S2/c1-16-10(12(18)15-13-14-6-7-21-13)11(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)


name: Strontium dipicrate
cas: 34069-88-0
formula: C6H3N3O7.1/2Sr
inchi: InChI=1/2C6H3N3O7.Sr/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2
inchikey: JWDCIZFRVVHBJE-UHFFFAOYSA-L
norman_susdat_id: NS00088020
smiles:
[Sr+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: 2,2'-(1,4-phenylenediisopropylidene)bis[4,6-xylenol]
cas: 34074-95-8
dtxsid: DTXSID50955632
formula: C28H34O2
inchikey: SXSQTVIVGPPWKI-UHFFFAOYSA-N
norman_susdat_id: NS00054409
pubchem_cid: 118597
smiles: OC=1C(=CC(=CC1C(C2=CC=C(C=C2)C(C=3C=C(C=C(C3O)C)C)(C)C)(C)C)C)C
inchi:
InChI=1/C28H34O2/c1-17-13-19(3)25(29)23(15-17)27(5,6)21-9-11-22(12-10-21)28(7,8)24-16-18(2)14-20(4)26(24)30/h9-16,29-30H,1-8H3


name: 2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 34074-98-1
formula: C21H25N2O.Cl
inchikey: QUZKWPNQYBRGJT-UHFFFAOYSA-N
norman_susdat_id: NS00087523
smiles: [Cl-].CCOc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1
inchi:
InChI=1/C21H24N2O.ClH/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;/h6-15H,5H2,1-4H3;1H


name: Fructose, 1-(dihydrogen phosphate), barium salt, d-
cas: 34079-63-5
formula: C6H13O9P.xBa
inchikey: PVYXSCGRJSOHGH-UHFFFAOYSA-L
norman_susdat_id: NS00088056
smiles: OCC(O)C(O)C(O)C(=O)COP1(=O)O[Ba]O1
inchi:
InChI=1/C6H13O9P.Ba/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h3,5-8,10-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/rC6H11BaO9P/c8-1-3(9)5(11)6(12)4(10)2-14-17(13)15-7-16-17/h3,5-6,8-9,11-12H,1-2H2


name: SID: 24416437
cas: 340811-31-6
formula: C16H11ClFN3OS
inchikey: WWGPTHOMFHDEEC-UHFFFAOYSA-N
norman_susdat_id: NS00068298
pubchem_cid: 914283
smiles: Nc1nc(Nc2cccc(Cl)c2)sc1C(=O)c1ccc(F)cc1
inchi:
InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)


name: 7-Aminoflunitrazepam
cas: 34084-50-9
chebiid: CHEBI:174707
chemspiderid: 83325
dtxsid: DTXSID40187682
formula: C16H14F1N3O1
inchikey: LTCDLGUFORGHGY-UHFFFAOYSA-N
norman_susdat_id: NS00010394
pubchem_cid: 92294
smiles: CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F
inchi:
InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3


name: Clocortolone pivalate
cas: 34097-16-0
chemspiderid: 4445634
dtxsid: DTXSID0045460
formula: C27H36Cl1F1O5
inchikey: SXYZQZLHAIHKKY-OROMMWLNSA-N
norman_susdat_id: NS00003918
pubchem_cid: 36673
smiles: C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(Cl)C(O)CC2(C)C1C(=O)COC(=O)C(C)(C)C
inchi:
InChI=1S/C27H36ClFO5/c1-14-9-16-17-11-19(29)18-10-15(30)7-8-26(18,6)27(17,28)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16?,17?,19+,21?,22?,25?,26?,27+/m1/s1


name: Orphenadrine hydrochloride
cas: 341-69-5
chebiid: CHEBI:60902
formula: C18H23NO.ClH
inchikey: UQZKYYIKWZOKKD-UHFFFAOYSA-N
norman_susdat_id: NS00079483
smiles: Cl.CN(C)CCOC(c1ccccc1)c2ccccc2C
inchi:
InChI=1/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H


name: Diethazine hydrochloride
cas: 341-70-8
formula: C18H22N2S.ClH
inchikey: LQZPJQKYAOYUJS-UHFFFAOYSA-N
norman_susdat_id: NS00079484
smiles: Cl.CCN(CC)CCN1c2ccccc2Sc3ccccc13
inchi:
InChI=1/C18H22N2S.ClH/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20;/h5-12H,3-4,13-14H2,1-2H3;1H


name: 17ß-hydroxyandrost-4-ene-3-one butyrate
cas: 3410-54-6
dtxsid: DTXSID40955646
formula: C23H34O3
inchikey: OMPTUWYLCDEFSJ-WAUHAFJUSA-N
norman_susdat_id: NS00048847
pubchem_cid: 102409
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)CCC
inchi:
InChI=1/C23H34O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h14,17-20H,4-13H2,1-3H3


cas: 34104-15-9
formula: C16H18N2O5S
inchikey: FCZNNHHXCFARDY-UHFFFAOYSA-N
norman_susdat_id: NS00088057
smiles: CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O
name:
[2S-(2a,4ß,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide

inchi:
InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)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)


cas: 34104-48-8
dtxsid: DTXSID10187699
formula: C16H16N2O7
inchikey: ZIZSZIIDNGAOEJ-UHFFFAOYSA-N
norman_susdat_id: NS00054911
pubchem_cid: NA
smiles: O=C(O)C(=O)CCC(=O)OC=1C=CC=2NC=C(C2C1)CC(N)C(=O)O.OC=1C(=NC=C(C1CO)CO)C
name:
5-(4-carboxy-1,4-dioxobutoxy)tryptophan, compound with 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

inchi:
InChI=1/C16H16N2O7.C8H11NO3/c17-11(15(21)22)5-8-7-18-12-2-1-9(6-10(8)12)25-14(20)4-3-13(19)16(23)24;1-5-8(12)7(4-11)6(3-10)2-9-5/h1-2,6-7,11,18H,3-5,17H2,(H,21,22)(H,23,24);2,10-12H,3-4H2,1H3


name: N-Dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
cas: 34111-24-5
dtxsid: DTXSID20896083
formula: C21H26F17NO
inchikey: PUJWRMJJJYQDFD-UHFFFAOYSA-N
norman_susdat_id: NS00109730
smiles: CCCCCCCCCCCCNC(=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/C21H26F17NO/c1-2-3-4-5-6-7-8-9-10-11-12-39-13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-12H2,1H3,(H,39,40)


name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(2-methylphenyl)amino]-9,10-dioxo-
cas: 34114-36-8
chemspiderid: 105032
dtxsid: DTXSID8067812
formula: C21H16N2O5S1
inchikey: IDRCEVKPWMZGEN-UHFFFAOYSA-N
norman_susdat_id: NS00029612
pubchem_cid: 117530
smiles: Cc1ccccc1Nc1cc(c(N)c2c1C(=O)c1c(cccc1)C2=O)S(=O)(=O)O
inchi:
InChI=1S/C21H16N2O5S/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)


name: T-2 tetraol
cas: 34114-99-3
chemspiderid: 2299156
dtxsid: DTXSID10893263
formula: C15H22O6
inchikey: ZAXZBJSXSOISTF-ZSTBYQRGSA-N
norman_susdat_id: NS00094919
pubchem_cid: 3034745
smiles: CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H](C34CO4)O2)O)O)C)CO
inchi:
InChI=1S/C15H22O6/c1-7-3-9-14(5-16,4-8(7)17)13(2)11(19)10(18)12(21-9)15(13)6-20-15/h3,8-12,16-19H,4-6H2,1-2H3/t8-,9+,10+,11+,12+,13+,14+,15?/m0/s1


name: N,N'-dibenzylethylenediammonium dichloride
cas: 3412-76-8
formula: C16H20N2.2ClH
inchikey: NZBGFGGNLREHFL-UHFFFAOYSA-N
norman_susdat_id: NS00083013
smiles: [Cl-].[Cl-].C(C[NH2+]Cc1ccccc1)[NH2+]Cc2ccccc2
inchi:
InChI=1/C16H20N2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14H2;2*1H


name: Trisodium (carboxylatomethoxy)succinate
cas: 34128-01-3
dtxsid: DTXSID60889717
formula: C6H8O7
inchikey: MPSJHIAGGNGGEZ-UHFFFAOYSA-K
norman_susdat_id: NS00054912
pubchem_cid: 36680
smiles: [Na+].[Na+].[Na+].O=C([O-])COC(C(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C6H8O7.3Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3


name: Ethylhydrocupreine hydrochloride
cas: 3413-58-9
formula: C21H28N2O2.ClH
inchikey: QNRATNLHPGXHMA-XZHTYLCXSA-N
norman_susdat_id: NS00083324
smiles: Cl.CCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1
inchi:
InChI=1/C21H28N2O2.ClH/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19;/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3;1H


name: Mefexamide
cas: 3413-64-7
chebiid: CHEBI:92373
chemspiderid: 3905
formula: C15H24N2O3
inchikey: HUNIPYLVUPMFCZ-UHFFFAOYSA-N
norman_susdat_id: NS00010043
pubchem_cid: 4045
smiles: CCN(CC)CCNC(=O)COc1ccc(OC)cc1
inchi:
InChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)


cas: 34137-09-2
formula: C60H87N3O12
inchikey: GDELWVKIFDNRBS-UHFFFAOYSA-N
norman_susdat_id: NS00087317
name:
(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)triethylene tris[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]

inchi:
InChI=1/3C17H26O3.C9H9N3O3/c3*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h3*9-10,20H,7-8H2,1-6H3,(H,18,19);4-6H,1-3H2

smiles:
CC(C)(C)c1cc(CCC(=O)O)cc(c1O)C(C)(C)C.CC(C)(C)c2cc(CCC(=O)O)cc(c2O)C(C)(C)C.CC(C)(C)c3cc(CCC(=O)O)cc(c3O)C(C)(C)C.C=CN4C(=O)N(C=C)C(=O)N(C=C)C4=O


name: Inosine oxime
cas: 3414-62-8
formula: C10H13N5O6
inchikey: AYWLSJPWHMHFCS-UHFFFAOYSA-N
norman_susdat_id: NS00048849
pubchem_cid: NA
smiles: ONC1=NC=NC2=C1N=CN2OCC3OC(O)C(O)C3O
inchi:
InChI=1/C10H13N5O6/c16-6-4(21-10(18)7(6)17)1-20-15-3-13-5-8(14-19)11-2-12-9(5)15/h2-4,6-7,10,16-19H,1H2,(H,11,12,14)


name: Potassium linoleate
cas: 3414-89-9
formula: C18H32O2.K
inchikey: BAYJYBALPIYBQQ-NBTZWHCOSA-M
norman_susdat_id: NS00083297
smiles: [K+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H32O2.K/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: [1-ethyl-1-phenyl-2-(3,4,5-trimethoxybenzoyloxy)ethyl]dimethylammonium hydrogen maleate
cas: 34140-59-5
formula: C22H29NO5.C4H4O4
inchikey: FSRLGULMGJGKGI-BTJKTKAUSA-M
norman_susdat_id: NS00087318
smiles: CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)([NH+](C)C)c2ccccc2.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/p-1


cas: 34142-26-2
dtxsid: DTXSID20885573
formula: C21H18N4O8S2
inchikey: PTOFMVRVTDBZKK-UHFFFAOYSA-N
norman_susdat_id: NS00054915
pubchem_cid: 118603
smiles: O=C1C(=CC2C(=O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C
name:
p-[4-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,18H,1-2H3,(H,28,29,30)(H,31,32,33)


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium chloride
cas: 34143-51-6
dtxsid: DTXSID80885574
formula: C23H24BrN2
inchikey: YSXWPYRZUULDLM-UHFFFAOYSA-M
norman_susdat_id: NS00054916
pubchem_cid: 161801
smiles: [Cl-].BrC1=CC=C2C3=C1C=CC=C3C(C=4C=CC(=CC4)N(CC)CC)=[N+]2CC
inchi:
InChI=1/C23H24BrN2.ClH/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;/h7-15H,4-6H2,1-3H3;1H/q+1;/p-1


name: 2-(Perfluorooctyl)ethanthiol
cas: 34143-74-3
chemspiderid: 472640
dtxsid: DTXSID20337446
formula: C10H5F17S1
inchikey: URJIJZCEKHSLHA-UHFFFAOYSA-N
norman_susdat_id: NS00018956
pubchem_cid: 542755
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)CCS
inchi:
InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2


name: Fispemifene
cas: 341524-89-8
dtxsid: DTXSID90870330
formula: C26H27ClO3
inchikey: NKZTZAQIKKGTDB-QPLCGJKRSA-N
norman_susdat_id: NS00072046
pubchem_cid: 9954033
smiles: OCCOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
inchi:
InChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-


name: Celastrol
cas: 34157-83-0
chebiid: CHEBI:63959
chemspiderid: 109405
dtxsid: DTXSID2040993
formula: C29H38O4
inchikey: KQJSQWZMSAGSHN-JJWQIEBTSA-N
norman_susdat_id: NS00018041
pubchem_cid: 122724
smiles: CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C)O
inchi:
InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1


name: N-Dodecanoyl-L-Tyrosine
cas: 34158-61-7
dtxsid: DTXSID40425112
formula: C21H33NO4
inchikey: SVQAZCRYIXURJT-IBGZPJMESA-N
norman_susdat_id: NS00071821
pubchem_cid: 6710104
smiles: CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
inchi:
InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-20(24)22-19(21(25)26)16-17-12-14-18(23)15-13-17/h12-15,19,23H,2-11,16H2,1H3,(H,22,24)(H,25,26)/t19-/m0/s1


name: Calcium fumarate (1:2)
cas: 3416-22-6
formula: C4H4O4.1/2Ca
inchikey: ZOZLPTVMZOBXQJ-NFMYELBMSA-J
norman_susdat_id: NS00083682
smiles: [CaH2].[O-]C(=O)\C=C\C(=O)[O-].[O-]C(=O)\C=C\C(=O)[O-]
inchi:
InChI=1/2C4H4O4.Ca.2H/c2*5-3(6)1-2-4(7)8;;;/h2*1-2H,(H,5,6)(H,7,8);;;/q;;+2;;/p-4/r2C4H4O4.CaH2/c2*5-3(6)1-2-4(7)8;/h2*1-2H,(H,5,6)(H,7,8);1H2/q;;+2/p-4


name: Lidoflazine
cas: 3416-26-0
chebiid: CHEBI:93095
chemspiderid: 3789
dtxsid: DTXSID6045377
formula: C30H35F2N3O1
inchikey: ZBIAKUMOEKILTF-UHFFFAOYSA-N
norman_susdat_id: NS00010627
pubchem_cid: 3926
smiles: Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
inchi:
InChI=1S/C30H35F2N3O/c1-22-5-3-6-23(2)30(22)33-29(36)21-35-19-17-34(18-20-35)16-4-7-28(24-8-12-26(31)13-9-24)25-10-14-27(32)15-11-25/h3,5-6,8-15,28H,4,7,16-21H2,1-2H3,(H,33,36)


name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenoxy)acetyl]piperazinium chloride
cas: 34161-23-4
formula: C20H21ClN2O4.ClH
inchikey: MVOWQBJZZKOQNU-UHFFFAOYSA-N
norman_susdat_id: NS00090387
smiles: [Cl-].Clc1ccc(OCC(=O)N2CC[NH+](Cc3ccc4OCOc4c3)CC2)cc1
inchi:
InChI=1/C20H21ClN2O4.ClH/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18;/h1-6,11H,7-10,12-14H2;1H


name: Fipexide
cas: 34161-24-5
chebiid: CHEBI:94598
chemspiderid: 3234
dtxsid: DTXSID5044657
formula: C20H21Cl1N2O4
inchikey: BFUJHVVEMMWLHC-UHFFFAOYSA-N
norman_susdat_id: NS00001766
pubchem_cid: 3351
smiles: Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1
inchi:
InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2


name: FD&C Yellow 5 parent
cas: 34175-08-1
chemspiderid: 56098
dtxsid: DTXSID8047212
formula: C16H12N4O9S2
inchikey: SXSWSYRFTJDJTA-ISLYRVAYSA-N
norman_susdat_id: NS00021125
pubchem_cid: NA
smiles: [O-]C(=O)C1=NN(C(=O)/C/1=N/Nc1ccc(cc1)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,17H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-13+


name: Sodium 6-amino-5-[(3,4-dichlorophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 34179-43-6
dtxsid: DTXSID20955720
formula: C16H11Cl2N3O4S
inchikey: IOMBKEFGGLGPJX-UHFFFAOYSA-M
norman_susdat_id: NS00059117
pubchem_cid: 3015676
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(Cl)C(Cl)=C3)=C1
inchi:
InChI=1/C16H11Cl2N3O4S.Na/c17-11-3-2-9(6-12(11)18)20-21-16-13(19)4-1-8-5-10(26(23,24)25)7-14(22)15(8)16;/h1-7,22H,19H2,(H,23,24,25);/q;+1/p-1


name: Methyl 4-[2-[4-(2-benzoxazoleyl)phenyl]vinyl]benzoate
cas: 34180-85-3
dtxsid: DTXSID3067819
formula: C23H17NO3
inchikey: PQENDJMQROQKKU-VOTSOKGWSA-N
norman_susdat_id: NS00060654
pubchem_cid: 6438096
smiles: O=C(OC)C1=CC=C(C=CC2=CC=C(C=C2)C3=NC=4C=CC=CC4O3)C=C1
inchi:
InChI=1/C23H17NO3/c1-26-23(25)19-14-10-17(11-15-19)7-6-16-8-12-18(13-9-16)22-24-20-4-2-3-5-21(20)27-22/h2-15H,1H3


name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride
cas: 34183-22-7
chebiid: CHEBI:8466
formula: C21H27NO3.ClH
inchikey: XWIHRGFIPXWGEF-UHFFFAOYSA-N
norman_susdat_id: NS00089639
smiles: Cl.CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2
inchi:
InChI=1/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H


name: Asebotoxin VII
cas: 34183-45-4
chemspiderid: 101316873
formula: C25H38O10
inchikey: NMZGPDMHNSZZOT-CQXHERNHSA-N
norman_susdat_id: NS00093913
smiles:
CCC(=O)O[C@@H]1[C@H]2CC[C@@]3([C@@]1(C[C@@]2(C)O)[C@@H]([C@H]([C@]4([C@H]([C@]3(C)O)[C@H]5[C@@H](C4(C)C)O5)O)O)OC(=O)C)O


name: 17-Hydroxypregna-4,9(11)-diene-3,20-dione
cas: 34184-82-2
chemspiderid: 105574
dtxsid: DTXSID80187782
formula: C21H28O3
inchikey: ARJWMUSCDIJFLB-GVVDHYSOSA-N
norman_susdat_id: NS00004229
pubchem_cid: 118138
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
inchi:
InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h7,12,16,18,24H,4-6,8-11H2,1-3H3/t16-,18+,19+,20+,21+/m1/s1


name: 4-Methyl-2-oxo-2H-1-benzopyran-7-yl 4-guanidinobenzoate monohydrochloride
cas: 34197-46-1
chemspiderid: 130122
dtxsid: DTXSID60187785
formula: C18H15N3O4
inchikey: DAFWZROYEOVJAL-UHFFFAOYSA-N
norman_susdat_id: NS00029623
pubchem_cid: NA
smiles: [Cl-].Cc1cc(=O)oc2c1ccc(OC(=O)c1ccc(cc1)N=C(N)N)c2.[H+]
inchi:
InChI=1S/C18H15N3O4/c1-10-8-16(22)25-15-9-13(6-7-14(10)15)24-17(23)11-2-4-12(5-3-11)21-18(19)20/h2-9H,1H3,(H4,19,20,21)


name: [R-(R*,R*)]-3,3'-dithiobis[2-amino-N-(4-nitrophenyl)propionamide]
cas: 34199-07-0
dtxsid: DTXSID40955742
formula: C18H20N6O6S2
inchikey: UDNQCHDHUMEZRM-UHFFFAOYSA-N
norman_susdat_id: NS00059581
pubchem_cid: 118139
smiles: O=C(NC1=CC=C(C=C1)N(=O)=O)C(N)CSSCC(N)C(=O)NC2=CC=C(C=C2)N(=O)=O
inchi:
InChI=1/C18H20N6O6S2/c19-15(17(25)21-11-1-5-13(6-2-11)23(27)28)9-31-32-10-16(20)18(26)22-12-3-7-14(8-4-12)24(29)30/h1-8,15-16H,9-10,19-20H2,(H,21,25)(H,22,26)


name: 6-Methylmercaptopurine ribonucleoside
cas: 342-69-8
chemspiderid: 207239
dtxsid: DTXSID5030454
formula: C11H14N4O4S1
inchikey: ZDRFDHHANOYUTE-UHFFFAOYSA-N
norman_susdat_id: NS00004404
pubchem_cid: 237358
smiles: CSc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
inchi:
InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3


name: 1H-Indene-1,3(2H)-dione, 2-[[4-(diethylamino)phenyl]methylene]-
cas: 34200-53-8
chemspiderid: 106007
dtxsid: DTXSID2067820
formula: C20H19N1O2
inchikey: QSKPRAZBWICXDM-UHFFFAOYSA-N
norman_susdat_id: NS00029624
pubchem_cid: 118614
smiles: CCN(CC)c1ccc(C=C2C(=O)c3c(cccc3)C2=O)cc1
inchi:
InChI=1S/C20H19NO2/c1-3-21(4-2)15-11-9-14(10-12-15)13-18-19(22)16-7-5-6-8-17(16)20(18)23/h5-13H,3-4H2,1-2H3


name: (acetato-O)(formato-O)hydroxyaluminium
cas: 34202-30-7
formula: C3H5AlO5
inchikey: DRVJZRIMOKBIBI-UHFFFAOYSA-K
norman_susdat_id: NS00090397
smiles: CC(=O)O[Al](O)OC=O
inchi:
InChI=1/C2H4O2.CH2O2.Al.H2O/c1-2(3)4;2-1-3;;/h1H3,(H,3,4);1H,(H,2,3);;1H2/q;;+3;/p-3/rC3H5AlO5/c1-3(6)9-4(7)8-2-5/h2,7H,1H3


name: N,N-bis(2-hydroxyethyl)stearamide, compound with 2,2'-iminodiethanol (1:1)
cas: 34202-37-4
formula: C22H45NO3.C4H11NO2
inchikey: MCXHMBVPPWKFFV-UHFFFAOYSA-N
norman_susdat_id: NS00089908
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCO)CCO.OCCNCCO
inchi:
InChI=1/C22H45NO3.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;6-3-1-5-2-4-7/h24-25H,2-21H2,1H3;5-7H,1-4H2


name: Dimefuron
cas: 34205-21-5
chebiid: CHEBI:81957
chemspiderid: 82721
dtxsid: DTXSID6058059
formula: C15H19Cl1N4O3
inchikey: DHWRNDJOGMTCPB-UHFFFAOYSA-N
norman_susdat_id: NS00010458
pubchem_cid: 91612
smiles: CC(C)(C)c1nn(c(=O)o1)c2ccc(cc2Cl)NC(=O)N(C)C
inchi:
InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)


name: Butan-2-one O,O',O'',O'''-silanetetrayltetraoxime
cas: 34206-40-1
dtxsid: DTXSID2067822
formula: C16H32N4O4Si
inchikey: INETXKGLHYNTHK-UHFFFAOYSA-N
norman_susdat_id: NS00059136
pubchem_cid: 93167
smiles: N(O[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC)=C(C)CC
inchi:
InChI=1/C16H32N4O4Si/c1-9-13(5)17-21-25(22-18-14(6)10-2,23-19-15(7)11-3)24-20-16(8)12-4/h9-12H2,1-8H3


name: 16-a,17-a-epoxy-20-oxopregn-5-en-3-ß-yl acetate
cas: 34209-81-9
chebiid: CHEBI:34169
dtxsid: DTXSID70955750
formula: C23H32O4
inchikey: YRLVTBXOGJMZNC-QHKUYLHMSA-N
norman_susdat_id: NS00060656
pubchem_cid: 7659351
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CC5OC54C(=O)C)C2(C)CC1)C
inchi:
InChI=1/C23H32O4/c1-13(24)23-20(27-23)12-19-17-6-5-15-11-16(26-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20H,6-12H2,1-4H3


name: Glutathione, sodium salt
cas: 34212-83-4
formula: C10H17N3O6S.xNa
inchikey: JAOFASXEKQFNPY-UHFFFAOYSA-L
norman_susdat_id: NS00089909
smiles: NC(CCC(=O)NC(CS)C(=O)NCC(=O)O[Na])C(=O)O[Na]
inchi:
InChI=1/C10H17N3O6S.2Na/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;;/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);;/q;2*+1/p-2


cas: 34217-90-8
chebiid: CHEBI:29023
dtxsid: DTXSID00885576
formula: C33H46N4O6
inchikey: DEEUSUJLZQQESV-BQUSTMGCSA-N
norman_susdat_id: NS00059635
pubchem_cid: NA
smiles: O=C(O)CCC=1C(N=C(C1C)CC2NC(=O)C(CC)C2C)=CC=3NC(=C(C3CCC(=O)O)C)CC4NC(=O)C(C)C4CC
name:
(2R,3R,4S,16S,17R,18R)-3,18-diethyl-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid

inchi:
InChI=1/C33H46N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15-16,19-21,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]-
cas: 34231-26-0
chemspiderid: 106009
dtxsid: DTXSID7067823
formula: C20H21N1O5
inchikey: RQLMZSLFKGNXTO-UHFFFAOYSA-N
norman_susdat_id: NS00020297
pubchem_cid: 118617
smiles: Nc1c(OCCCCCCO)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H21NO5/c21-18-15(26-10-6-2-1-5-9-22)11-14(23)16-17(18)20(25)13-8-4-3-7-12(13)19(16)24/h3-4,7-8,11,22-23H,1-2,5-6,9-10,21H2


cas: 34233-64-2
dtxsid: DTXSID20889718
formula: C44H36N12O12S4
inchikey: TZFWNQCIWOFPJO-MOSUJMLHSA-J
norman_susdat_id: NS00060658
pubchem_cid: 118620
name:
Tetrasodium 4,4'-bis[[4-anilino-6-(p-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C44H36N12O12S4.4Na/c57-69(58,59)35-21-17-31(18-22-35)47-41-51-39(45-29-7-3-1-4-8-29)53-43(55-41)49-33-15-13-27(37(25-33)71(63,64)65)11-12-28-14-16-34(26-38(28)72(66,67)68)50-44-54-40(46-30-9-5-2-6-10-30)52-42(56-44)48-32-19-23-36(24-20-32)70(60,61)62;;;;/h1-26H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC=5N=C(N=C(N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NC=7C=CC=CC7)C(=C3)S(=O)(=O)[O-])NC=8C=CC=CC8


name: Clozapine,-N-oxide
cas: 34233-69-7
chebiid: CHEBI:169893
chemspiderid: 21169512
formula: C18H19Cl1N4O1
inchikey: OGUCZBIQSYYWEF-UHFFFAOYSA-N
norman_susdat_id: NS00001462
pubchem_cid: 135445691
smiles: CN1CCN(CC1)C1=C2C=CC=CC2=NC2=C(C=C(Cl)C=C2)N1O
inchi:
InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3


name: Telbivudine
cas: 3424-98-4
chebiid: CHEBI:63624
chemspiderid: 140081
dtxsid: DTXSID30187813
formula: C10H14N2O5
inchikey: IQFYYKKMVGJFEH-CSMHCCOUSA-N
norman_susdat_id: NS00001939
pubchem_cid: 159269
smiles: Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m1/s1


name: Verapamil metabolite D617
cas: 34245-14-2
chebiid: CHEBI:83528
chemspiderid: 84112
dtxsid: DTXSID40891459
formula: C17H26N2O2
inchikey: WLOBUUJURNEQCL-UHFFFAOYSA-N
norman_susdat_id: NS00008205
pubchem_cid: 93168
smiles: CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
inchi:
InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3


name: PLENOLIN
cas: 34257-95-9
chemspiderid: 390762
dtxsid: DTXSID70874699
formula: C15H20O4
inchikey: ICKWITMQEROMDG-UHFFFAOYSA-N
norman_susdat_id: NS00094790
pubchem_cid: 442294
smiles: CC1C2C(CC(C)C3C=CC(=O)C3(C)C2O)OC1=O
inchi:
InChI=1/C15H20O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7-10,12-13,17H,6H2,1-3H3


name: Prozapine
cas: 3426-08-2
chebiid: CHEBI:135225
dtxsid: DTXSID60187826
formula: C21H27N
inchikey: QSEKJQWRMSJZDE-UHFFFAOYSA-N
norman_susdat_id: NS00049488
pubchem_cid: 71127
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCN3CCCCCC3
inchi:
InChI=1/C21H27N/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2


name: Disodium 4,4'-bis[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 3426-43-5
formula: C34H30N10O8S2.2Na
inchikey: BDYOOAPDMVGPIQ-QDBORUFSSA-L
norman_susdat_id: NS00083014
inchi:
InChI=1/C34H30N10O8S2.2Na/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);;/q;2*+1/p-2

smiles:
[Na+].[Na+].COc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(Nc6ccccc6)nc(OC)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


name: Tris[oxalato(2-)]dilutetium
cas: 3426-45-7
formula: C6Lu2O12
inchikey: LSBHORXFYZESLH-UHFFFAOYSA-J
norman_susdat_id: NS00083015
smiles: OC(=O)C(=O)O[Lu]OC(=O)C(=O)O[Lu]OC(=O)C(=O)O
inchi:
InChI=1/3C2H2O4.2Lu/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-4/rC6H2Lu2O12/c9-1(10)3(13)17-7-19-5(15)6(16)20-8-18-4(14)2(11)12/h(H,9,10)(H,11,12)/q+2


name: 3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium iodide
cas: 34263-37-1
formula: C23H21N2S2.I
inchikey: YPWICDUMOAZDQH-UHFFFAOYSA-M
norman_susdat_id: NS00089951
smiles: [I-].C=CC[n+]3c4ccccc4sc3C=CC=C2Sc1ccccc1N2CC=C
inchi:
InChI=1/C23H21N2S2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h3-15H,1-2,16-17H2;1H/q+1;/p-1


name: Amisulpride-met 18 -388
cas: 342635-34-1
chemspiderid: NA
formula: C15H20N2O8S1
inchikey: OFFUIJBSGLDLGX-UHFFFAOYSA-N
norman_susdat_id: NS00000726
pubchem_cid: NA
smiles: S(=O)(c1c(N)cc(OC)c(C(NC(CCC(O)=O)C(O)=O)=O)c1)(CC)=O
inchi:
InChI=1S/C15H20N2O8S/c1-3-26(23,24)12-6-8(11(25-2)7-9(12)16)14(20)17-10(15(21)22)4-5-13(18)19/h6-7,10H,3-5,16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)


name: Disodium N-(carboxylatomethyl)-N-[(2-hydroxyphenyl)methyl]glycinate
cas: 34270-33-2
formula: C11H13NO5.2Na
inchikey: RNVZAFDZRKNRMS-UHFFFAOYSA-L
norman_susdat_id: NS00090423
smiles: [Na+].[Na+].Oc1ccccc1CN(CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C11H13NO5.2Na/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17;;/h1-4,13H,5-7H2,(H,14,15)(H,16,17);;/q;2*+1/p-2


name: Histrionicotoxin
cas: 34272-51-0
dtxsid: DTXSID50897083
formula: C19H25NO
inchikey: JBRYWENFVHQBGY-AFVFYVOOSA-N
norman_susdat_id: NS00075466
smiles: O[C@H]1CCC[C@]2(CCC[C@@H](CC=C/C#C)N2)[C@@H]1C=C/C#C
inchi:
InChI=1S/C19H25NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h1-2,5-7,12,16-18,20-21H,8-11,13-15H2/b7-5-,12-6-/t16-,17-,18+,19-/m1/s1


name: Phosphoaminophosphonic Acid Guanylate Ester
cas: 34273-04-6
chebiid: CHEBI:78408
dtxsid: DTXSID20187842
formula: C10H17N6O13P3
inchikey: UQABYHGXWYXDTK-UUOKFMHZSA-N
norman_susdat_id: NS00072211
smiles: Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
inchi:
InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1


name: Saralasin
cas: 34273-10-4
chebiid: CHEBI:135894
dtxsid: DTXSID2046549
formula: C42H65N13O10
inchikey: PFGWGEPQIUAZME-NXSMLHPHSA-N
norman_susdat_id: NS00073478
pubchem_cid: 6324663
inchi:
InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1

smiles:
CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C


cas: 34279-38-4
formula: C37H42N4O6
inchikey: LHKBJSIDEKOSRC-HYBUGGRVSA-N
norman_susdat_id: NS00059686
pubchem_cid: NA
smiles: O=C(OC)C=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C2CC(=O)OC)C(CCC(=O)OC)C5C)C(=C4CC)C)C(=C3CC)C)C1C
name:
Methyl trans-8,13-diethyl-2,3-dihydro-18-(methoxycarbonyl)-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C37H42N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h15-17,20,24H,10-14H2,1-9H3


name: Cephamycin B
cas: 34279-77-1
chemspiderid: 5288572
formula: C25H29N3O11S1
inchikey: BVOBPJWSXSKGOO-MYWSHXOVSA-N
norman_susdat_id: NS00011605
pubchem_cid: 6912218
smiles: O=C2N1/C(=C(CS[C@@H]1[C@]2(OC)NC(=O)CCC[C@H](C(=O)O)N)COC(=O)C(OC)=Cc3ccc(O)cc3)C(=O)O
inchi:
InChI=1S/C25H29N3O11S/c1-37-17(10-13-6-8-15(29)9-7-13)22(35)39-11-14-12-40-24-25(38-2,23(36)28(24)19(14)21(33)34)27-18(30)5-3-4-16(26)20(31)32/h6-10,16,24,29H,3-5,11-12,26H2,1-2H3,(H,27,30)(H,31,32)(H,33,34)/b17-10-/t16-,24-,25+/m1/s1


name: 5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid
cas: 34282-85-4
formula: C13H18N2O4S3
inchikey: GFJGCPCAQBIUMB-UHFFFAOYSA-N
norman_susdat_id: NS00089915
smiles: S=C2SC(=CC=C1CCCN1CC)C(=O)N2CCS(O)(=O)=O
inchi:
InChI=1/C13H18N2O4S3/c1-2-14-7-3-4-10(14)5-6-11-12(16)15(13(20)21-11)8-9-22(17,18)19/h5-6H,2-4,7-9H2,1H3,(H,17,18,19)


cas: 34282-89-8
dtxsid: DTXSID60955840
formula: C18H21N3O6S2
inchikey: WTMQBVYCFKLEHU-UHFFFAOYSA-N
norman_susdat_id: NS00060712
pubchem_cid: NA
smiles: O=C1C(=CC=C2OC=3C=CC=CC3N2CCCOS(=O)(=O)O)N(C(=S)N1C)CC.N(CC)(CC)CC
name:
1-ethyl-3-methyl-5-[[3-[3-(sulphooxy)propyl]-3H-benzoxazol-2-ylidene]ethylidene]-2-thioxoimidazolidin-4-one, compound with triethylamine (1:1)

inchi:
InChI=1/C18H21N3O6S2.C6H15N/c1-3-20-14(17(22)19(2)18(20)28)9-10-16-21(11-6-12-26-29(23,24)25)13-7-4-5-8-15(13)27-16;1-4-7(5-2)6-3/h4-5,7-10H,3,6,11-12H2,1-2H3,(H,23,24,25);4-6H2,1-3H3


name: Tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
cas: 342889-38-7
dtxsid: DTXSID30403303
formula: C48H24F51P
inchikey: CDBCINRKCMNDNI-UHFFFAOYSA-N
norman_susdat_id: NS00109868
inchi:
InChI=1S/C48H24F51P/c49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)13-10-19-4-1-7-22(16-19)100(23-8-2-5-20(17-23)11-14-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-9-3-6-21(18-24)12-15-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99/h1-9,16-18H,10-15H2

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)CCC1=CC(=CC=C1)P(C1=CC=CC(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)=C1)C1=CC=CC(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)=C1


name: Phosphatidylinositol-1,2-dipalmitoyl
cas: 34290-57-8
chebiid: CHEBI:73229
chemspiderid: 29341591
formula: C41H79O13P1
inchikey: IBUKXRINTKQBRQ-KCKFLZCVSA-N
norman_susdat_id: NS00015219
pubchem_cid: NA
inchi:
InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39-,40-,41-/m1/s1

smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC


name: Butirosin A
cas: 34291-02-6
chebiid: CHEBI:65112
chemspiderid: 16735712
formula: C21H41N5O12
inchikey: XEQLFNPSYWZPOW-SVRMBHBBSA-N
norman_susdat_id: NS00011547
pubchem_cid: 12302171
inchi:
InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1

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


name: D-glucitol hexaoleate
cas: 34294-15-0
formula: C114H206O12
inchikey: RKZXQQPEDGMHBJ-LIGJGSPWSA-N
norman_susdat_id: NS00059687
pubchem_cid: 75124258
inchi:
InChI=1/C114H206O12/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-107(115)121-103-105(123-109(117)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)113(125-111(119)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114(126-112(120)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)106(124-110(118)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)104-122-108(116)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,105-106,113-114H,7-48,61-104H2,1-6H3

smiles:
O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC


name: Diphenyl tetradecyl phosphite
cas: 34294-53-6
dtxsid: DTXSID7067829
formula: C26H39O3P
inchikey: PRFKJUVSYMPQCK-UHFFFAOYSA-N
norman_susdat_id: NS00059628
pubchem_cid: 118637
smiles: O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OCCCCCCCCCCCCCC
inchi:
InChI=1/C26H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27-30(28-25-20-15-13-16-21-25)29-26-22-17-14-18-23-26/h13-18,20-23H,2-12,19,24H2,1H3


name: Isometamidium chloride
cas: 34301-55-8
chebiid: CHEBI:6028
formula: C28H26N7.Cl
inchikey: QNZJTSGALAVCLH-UHFFFAOYSA-N
norman_susdat_id: NS00090425
smiles: [Cl-].NC(=N)c1cc(ccc1)N=NNc3ccc4c2ccc(N)cc2[n+](CC)c(c4c3)c5ccccc5
inchi:
InChI=1/C28H25N7.ClH/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H


name: Cadmium didocosanoate
cas: 34303-23-6
formula: C22H44O2.1/2Cd
inchikey: HJGFQVHOOSSOME-UHFFFAOYSA-L
norman_susdat_id: NS00089917
smiles: [Cd+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C22H44O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2


name: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridinium
cas: 34316-15-9
chebiid: CHEBI:78373
formula: C21H18NO4
inchikey: LLEJIEBFSOEYIV-UHFFFAOYSA-N
norman_susdat_id: NS00089928
smiles: COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC
inchi:
InChI=1/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1


name: 3-bromo-10-(2-bromo-10-oxoanthracen-9(10H)-ylidene)anthracen-9(10H)-one
cas: 34316-54-6
formula: C28H14Br2O2
inchikey: RDWYKRDNFXGTBO-UHFFFAOYSA-N
norman_susdat_id: NS00060738
pubchem_cid: 118639
smiles: O=C1C=2C=CC=CC2C(C3=CC(Br)=CC=C13)=C4C=5C=CC=CC5C(=O)C=6C=CC(Br)=CC64
inchi:
InChI=1/C28H14Br2O2/c29-15-9-11-21-23(13-15)25(17-5-1-3-7-19(17)27(21)31)26-18-6-2-4-8-20(18)28(32)22-12-10-16(30)14-24(22)26/h1-14H


name: Hexamethylenetetramine citrate
cas: 34317-08-3
formula: C6H12N4.C6H8O7
inchikey: UAMIYHCXAONPMG-UHFFFAOYSA-N
norman_susdat_id: NS00089929
smiles: OC(=O)CC(O)(CC(=O)O)C(=O)O.C1N2CN3CN(CN1C3)C2
inchi:
InChI=1/C6H12N4.C6H8O7/c1-7-2-9-4-8(1)5-10(3-7)6-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


cas: 34317-37-8
formula: C20H21NO4.C8H10NO6P
inchikey: VTJFMXLVZKZSGE-UHFFFAOYSA-N
norman_susdat_id: NS00089662
smiles: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cc4ncc(COP(=O)(O)O)c(C=O)c4O
name:
3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridine-4-carbaldehyde, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)

inchi:
InChI=1/C20H21NO4.C8H10NO6P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h5-8,10-12H,9H2,1-4H3;2-3,11H,4H2,1H3,(H2,12,13,14)


name: 3H-Pyrazol-3-one, 2,4-dihydro-5-[(4-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-
cas: 34320-82-6
chemspiderid: 89236
dtxsid: DTXSID1067831
formula: C15H9Cl3N4O3
inchikey: NTDRZJLMIOFNLK-UHFFFAOYSA-N
norman_susdat_id: NS00029639
pubchem_cid: 98800
smiles: [O-][N+](=O)c1ccc(NC2=NN(C(=O)C2)c2c(Cl)cc(Cl)cc2Cl)cc1
inchi:
InChI=1S/C15H9Cl3N4O3/c16-8-5-11(17)15(12(18)6-8)21-14(23)7-13(20-21)19-9-1-3-10(4-2-9)22(24)25/h1-6H,7H2,(H,19,20)


name: 3-[(4-{2-methyl-1h-imidazo[4,5-c]pyridin-1-yl}phenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
cas: 343250-05-5
formula: C21H16N4OS
inchikey: WUOLYUKMMRCXGH-UHFFFAOYSA-N
norman_susdat_id: NS00068329
pubchem_cid: 448793
smiles: Cc1nc2cnccc2n1-c1ccc(Cn2c(=O)sc3ccccc32)cc1
inchi:
InChI=1S/C21H16N4OS/c1-14-23-17-12-22-11-10-18(17)25(14)16-8-6-15(7-9-16)13-24-19-4-2-3-5-20(19)27-21(24)26/h2-12H,13H2,1H3


name: 4-(1,4-Dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonic acid
cas: 34330-07-9
chemspiderid: 2290171
dtxsid: DTXSID30187898
formula: C14H10N2O4S2
inchikey: AENMRVKTNNJRNW-UHFFFAOYSA-N
norman_susdat_id: NS00029641
pubchem_cid: 3024191
smiles: OS(=O)(=O)c1ccc(cc1)n1c(=S)[nH]c2c(cccc2)c1=O
inchi:
InChI=1S/C14H10N2O4S2/c17-13-11-3-1-2-4-12(11)15-14(21)16(13)9-5-7-10(8-6-9)22(18,19)20/h1-8H,(H,15,21)(H,18,19,20)


name: sugammadex
cas: 343306-71-8
chemspiderid: 21235102
formula: C72H112O48S8
inchikey: WHRODDIHRRDWEW-UHFFFAOYSA-N
norman_susdat_id: NS00003978
pubchem_cid: 74030550
inchi:
InChI=1S/C72H112O48S8/c73-33(74)1-9-121-17-25-57-41(89)49(97)65(105-25)114-58-26(18-122-10-2-34(75)76)107-67(51(99)43(58)91)116-60-28(20-124-12-4-36(79)80)109-69(53(101)45(60)93)118-62-30(22-126-14-6-38(83)84)111-71(55(103)47(62)95)120-64-32(24-128-16-8-40(87)88)112-72(56(104)48(64)96)119-63-31(23-127-15-7-39(85)86)110-70(54(102)46(63)94)117-61-29(21-125-13-5-37(81)82)108-68(52(100)44(61)92)115-59-27(19-123-11-3-35(77)78)106-66(113-57)50(98)42(59)90/h25-32,41-72,89-104H,1-24H2,(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)

smiles:
OC1C(O)C2OC3OC(CSCCC(O)=O)C(OC4OC(CSCCC(O)=O)C(OC5OC(CSCCC(O)=O)C(OC6OC(CSCCC(O)=O)C(OC7OC(CSCCC(O)=O)C(OC8OC(CSCCC(O)=O)C(OC9OC(CSCCC(O)=O)C(OC1OC2CSCCC(O)=O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O


name: p-nonylphenyl dihydrogen phosphate
cas: 34332-96-2
dtxsid: DTXSID20955886
formula: C15H25O4P
inchikey: BIUMPKSWMFBEOF-UHFFFAOYSA-N
norman_susdat_id: NS00059165
pubchem_cid: 118646
smiles: O=P(O)(O)OC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C15H25O4P/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)19-20(16,17)18/h10-13H,2-9H2,1H3,(H2,16,17,18)


name: Bis(p-nonylphenyl) hydrogen phosphate
cas: 34332-97-3
dtxsid: DTXSID80955887
formula: C30H47O4P
inchikey: TUBPQDOOWCNEEE-UHFFFAOYSA-N
norman_susdat_id: NS00059738
pubchem_cid: 118647
smiles: O=P(O)(OC1=CC=C(C=C1)CCCCCCCCC)OC2=CC=C(C=C2)CCCCCCCCC
inchi:
InChI=1/C30H47O4P/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)33-35(31,32)34-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26H,3-18H2,1-2H3,(H,31,32)


cas: 343343-17-9
dtxsid: DTXSID50573618
formula: C96H48Cl2F102P2Pd
inchikey: HIDVEVKTXQUVSJ-UHFFFAOYSA-L
norman_susdat_id: NS00110560
name:
Dichloropalladium--tris[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane (1/2)

inchi:
InChI=1S/2C48H24F51P.2ClH.Pd/c2*49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)13-10-19-4-1-7-22(16-19)100(23-8-2-5-20(17-23)11-14-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-9-3-6-21(18-24)12-15-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;;;/h2*1-9,16-18H,10-15H2;2*1H;/q;;;;+2/p-2

smiles:
Cl[Pd]Cl.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC(=CC=C1)P(C1=CC=CC(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)=C1)C1=CC=CC(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)=C1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC(=CC=C1)P(C1=CC=CC(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)=C1)C1=CC=CC(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)=C1


name: (Z)-1-[3-(9-octadecenylamino)propyl]-1H-pyrrole-2,5-dione
cas: 34339-76-9
formula: C25H44N2O2
inchikey: MPADOMMKFQAZGN-KTKRTIGZSA-N
norman_susdat_id: NS00089691
smiles: CCCCCCCC\C=C/CCCCCCCCNCCCN1C(=O)C=CC1=O
inchi:
InChI=1/C25H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-23-27-24(28)19-20-25(27)29/h9-10,19-20,26H,2-8,11-18,21-23H2,1H3


name: beta-estradiol-diacetate
cas: 3434-88-6
chemspiderid: 59804
formula: C22H28O4
inchikey: VQHQLBARMFAKSV-UHFFFAOYSA-N
norman_susdat_id: NS00040647
pubchem_cid: 66431
smiles: CC(=O)OC1CCC2C3CCc4cc(OC(C)=O)ccc4C3CCC12C
inchi:
InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3


name: 2'-(dibenzylamino)-6'-(diethylamino)-4'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 34342-67-1
dtxsid: DTXSID50885581
formula: C39H36N2O3
inchikey: VDBOFGZVSSZTBU-UHFFFAOYSA-N
norman_susdat_id: NS00059203
pubchem_cid: 118649
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C(=CC(=CC42)N(CC=5C=CC=CC5)CC=6C=CC=CC6)C)N(CC)CC)C=7C=CC=CC17
inchi:
InChI=1/C39H36N2O3/c1-4-40(5-2)30-20-21-34-36(24-30)43-37-27(3)22-31(23-35(37)39(34)33-19-13-12-18-32(33)38(42)44-39)41(25-28-14-8-6-9-15-28)26-29-16-10-7-11-17-29/h6-24H,4-5,25-26H2,1-3H3


name: N,N,N',N',N''-Pentakis(methoxymethyl)-N''-((octadecyloxy)methyl)-1,3,5-triazine-2,4,6-triamine
cas: 34346-37-7
chemspiderid: 106028
dtxsid: DTXSID10187917
formula: C32H64N6O6
inchikey: RQQMIZDGUOQXIQ-UHFFFAOYSA-N
norman_susdat_id: NS00019974
pubchem_cid: 118650
smiles: CCCCCCCCCCCCCCCCCCOCN(COC)c1nc(nc(n1)N(COC)COC)N(COC)COC
inchi:
InChI=1S/C32H64N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44-29-38(28-43-6)32-34-30(36(24-39-2)25-40-3)33-31(35-32)37(26-41-4)27-42-5/h7-29H2,1-6H3


name: (2-hydroxytrimethylene)bis[(3-chloro-2-hydroxypropyl)dimethylammonium] dichloride
cas: 34348-46-4
dtxsid: DTXSID80889719
formula: C13H30Cl2N2O3
inchikey: GCBHIWKOWOZKPT-UHFFFAOYSA-L
norman_susdat_id: NS00060771
pubchem_cid: 118149
smiles: [Cl-].[Cl-].ClCC(O)C[N+](C)(C)CC(O)C[N+](C)(C)CC(O)CCl
inchi:
InChI=1/C13H30Cl2N2O3.2ClH/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15;;/h11-13,18-20H,5-10H2,1-4H3;2*1H/q+2;;/p-2


cas: 34349-21-8
formula: C22H36O10Sn
inchikey: QJLJZLJTGWMKGT-UDVCPWNYSA-L
norman_susdat_id: NS00060772
pubchem_cid: 20839043
smiles: O=C(OCCOC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCOC)(CCCC)CCCC
name:
2-methoxyethyl (Z,Z)-11,11-dibutyl-6,9,13-trioxo-2,5,10,12-tetraoxa-11-stannahexadeca-7,14-dien-16-oate

inchi:
InChI=1/2C7H10O5.2C4H9.Sn/c2*1-11-4-5-12-7(10)3-2-6(8)9;2*1-3-4-2;/h2*2-3H,4-5H2,1H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O10Sn/c1-5-7-17-33(18-8-6-2,31-21(25)11-9-19(23)29-15-13-27-3)32-22(26)12-10-20(24)30-16-14-28-4/h9-12H,5-8,13-18H2,1-4H3


name: 8-Quinolyl 2-(((4-((thiazole-2-ylamino)sulphonyl)phenyl)amino)carbonyl)benzoate
cas: 34352-08-4
chemspiderid: 106030
dtxsid: DTXSID20187928
formula: C26H18N4O5S2
inchikey: UQKUNVLLLNJENL-UHFFFAOYSA-N
norman_susdat_id: NS00029644
pubchem_cid: 118653
smiles: O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1c(cccc1)C(=O)Oc1cccc2cccnc12
inchi:
InChI=1S/C26H18N4O5S2/c31-24(29-18-10-12-19(13-11-18)37(33,34)30-26-28-15-16-36-26)20-7-1-2-8-21(20)25(32)35-22-9-3-5-17-6-4-14-27-23(17)22/h1-16H,(H,28,30)(H,29,31)


cas: 34356-65-5
formula: C14H18N2O.C12H12N2O3
inchikey: GEZUXUPVAULSOW-UHFFFAOYSA-N
norman_susdat_id: NS00089948
smiles: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CC(C)C3=C(C)N(C)N(C3=O)c4ccccc4
name:
5-ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-4-isopropyl-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)

inchi:
InChI=1/C14H18N2O.C12H12N2O3/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5-10H,1-4H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)


name: 2-hexyldecyl laurate
cas: 34362-27-1
dtxsid: DTXSID80955903
formula: C28H56O2
inchikey: KMUBFTBPGVULKC-UHFFFAOYSA-N
norman_susdat_id: NS00059205
pubchem_cid: 118154
smiles: O=C(OCC(CCCCCC)CCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C28H56O2/c1-4-7-10-13-15-16-17-19-22-25-28(29)30-26-27(23-20-12-9-6-3)24-21-18-14-11-8-5-2/h27H,4-26H2,1-3H3


name: 1,1,2,2-Tetrahydroperfluorohexadecyl acrylate
cas: 34362-49-7
chemspiderid: 106033
dtxsid: DTXSID6067836
formula: C19H7F29O2
inchikey: KLOHTAIHCCMZIL-UHFFFAOYSA-N
norman_susdat_id: NS00011001
pubchem_cid: 118656
inchi:
InChI=1S/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2

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


name: Name confidential or not available_22075
cas: 34364-24-4
chemspiderid: 8127117
formula: C25H42O2
inchikey: BDEHGQOUMOLWCN-UHFFFAOYSA-N
norman_susdat_id: NS00022075
pubchem_cid: 9951506
smiles: C(=O)(c1ccccc1)OCCCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C25H42O2/c1-23(2)19-15-12-10-8-6-4-3-5-7-9-11-13-18-22-27-25(26)24-20-16-14-17-21-24/h14,16-17,20-21,23H,3-13,15,18-19,22H2,1-2H3


name: (1-methyl-1-phenylethyl)phenyl diphenyl phosphate
cas: 34364-42-6
dtxsid: DTXSID60955906
formula: C27H25O4P
inchikey: NSKVIUBXDJHCAL-UHFFFAOYSA-N
norman_susdat_id: NS00059740
pubchem_cid: 20295726
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)OC=3C=CC=CC3C(C=4C=CC=CC4)(C)C
inchi:
InChI=1/C27H25O4P/c1-27(2,22-14-6-3-7-15-22)25-20-12-13-21-26(25)31-32(28,29-23-16-8-4-9-17-23)30-24-18-10-5-11-19-24/h3-21H,1-2H3


name: 1H-Indole, 1-methyl-2-phenyl-3-(2-thiazolylazo)-
cas: 34367-95-8
chemspiderid: 106037
dtxsid: DTXSID6067838
formula: C18H14N4S1
inchikey: RWSPUNNNJRHPOZ-UHFFFAOYSA-N
norman_susdat_id: NS00029646
pubchem_cid: 118660
smiles: Cn1c2c(cccc2)c(N=Nc2nccs2)c1c1ccccc1
inchi:
InChI=1S/C18H14N4S/c1-22-15-10-6-5-9-14(15)16(20-21-18-19-11-12-23-18)17(22)13-7-3-2-4-8-13/h2-12H,1H3/b21-20+


name: Dobutamine
cas: 34368-04-2
chebiid: CHEBI:4670
chemspiderid: 33786
dtxsid: DTXSID3022958
formula: C18H23N1O3
inchikey: JRWZLRBJNMZMFE-UHFFFAOYSA-N
norman_susdat_id: NS00007916
pubchem_cid: 36811
smiles: CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
inchi:
InChI=1S/C18H23NO3/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


name: 2'-(dibenzylamino)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 34372-72-0
dtxsid: DTXSID80865715
formula: C38H34N2O3
inchikey: DXYZIGZCEVJFIX-UHFFFAOYSA-N
norman_susdat_id: NS00059741
pubchem_cid: 118663
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC=5C=CC=CC5)CC=6C=CC=CC6)N(CC)CC)C=7C=CC=CC17
inchi:
InChI=1/C38H34N2O3/c1-3-39(4-2)30-19-21-33-36(24-30)42-35-22-20-29(23-34(35)38(33)32-18-12-11-17-31(32)37(41)43-38)40(25-27-13-7-5-8-14-27)26-28-15-9-6-10-16-28/h5-24H,3-4,25-26H2,1-2H3


name: 6,6'-(carbonyldiimino)bis[1-methylquinolinium] sulphate
cas: 34374-08-8
dtxsid: DTXSID20187943
formula: C21H20N4O
inchikey: CYJHJKHNVBPIHY-UHFFFAOYSA-M
norman_susdat_id: NS00060796
pubchem_cid: 169600
smiles: O=C(NC1=CC=C2C(C=CC=[N+]2C)=C1)NC3=CC=C4C(C=CC=[N+]4C)=C3.O=S(=O)([O-])[O-]
inchi:
InChI=1/C21H19N4O.H2O4S/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2;1-5(2,3)4/h3-14H,1-2H3,(H-,22,23,26);(H2,1,2,3,4)/q+1;/p-1


name: D-Glucose, 6-(dihydrogen phosphate), magnesium salt
cas: 34378-76-2
formula: C6H13O9P.xMg
inchikey: JCKOBTMPGRTUJH-UHFFFAOYSA-L
norman_susdat_id: NS00089976
smiles: OC1OC(COP2(=O)O[Mg]O2)C(O)C(O)C1O
inchi:
InChI=1/C6H13O9P.Mg/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11MgO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2


name: (±)-1-[p-(benzyloxy)phenoxy]-3-(isopropylamino)propan-2-ol
cas: 34380-47-7
formula: C19H25NO3
inchikey: YUFPERPQVJMWEN-UHFFFAOYSA-N
norman_susdat_id: NS00089693
smiles: CC(C)NCC(O)COc1ccc(OCc2ccccc2)cc1
inchi:
InChI=1/C19H25NO3/c1-15(2)20-12-17(21)14-23-19-10-8-18(9-11-19)22-13-16-6-4-3-5-7-16/h3-11,15,17,20-21H,12-14H2,1-2H3


name: 2,3,3',4,4'-penta-O-acetylsucrose
cas: 34382-02-0
dtxsid: DTXSID10955936
formula: C22H32O16
inchikey: UMOFHQSJMUINFR-UHFFFAOYSA-N
norman_susdat_id: NS00059743
pubchem_cid: 118162
smiles: O=C(OC1C(OC(CO)C(OC(=O)C)C1OC(=O)C)OC2(OC(CO)C(OC(=O)C)C2OC(=O)C)CO)C
inchi:
InChI=1/C22H32O16/c1-9(26)31-16-14(6-23)36-21(19(34-12(4)29)18(16)33-11(3)28)38-22(8-25)20(35-13(5)30)17(32-10(2)27)15(7-24)37-22/h14-21,23-25H,6-8H2,1-5H3


name: 1-Amino-3-chloro-4-hydroxy-2-phenoxyanthraquinone
cas: 34391-96-3
chemspiderid: 106050
dtxsid: DTXSID40187965
formula: C20H12Cl1N1O4
inchikey: JYEYYBHLLCRINZ-UHFFFAOYSA-N
norman_susdat_id: NS00029654
pubchem_cid: 118673
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(O)c(Cl)c1Oc1ccccc1
inchi:
InChI=1S/C20H12ClNO4/c21-15-19(25)14-13(16(22)20(15)26-10-6-2-1-3-7-10)17(23)11-8-4-5-9-12(11)18(14)24/h1-9,25H,22H2


name: 1-benzyl-3-[(1-methylethoxy)carbonyl]pyridinium chloride
cas: 34395-10-3
dtxsid: DTXSID50885586
formula: C16H18NO2
inchikey: QOLZSDCQKOPCHX-UHFFFAOYSA-M
norman_susdat_id: NS00054862
pubchem_cid: 118675
smiles: [Cl-].O=C(OC(C)C)C1=CC=C[N+](=C1)CC=2C=CC=CC2
inchi:
InChI=1/C16H18NO2.ClH/c1-13(2)19-16(18)15-9-6-10-17(12-15)11-14-7-4-3-5-8-14;/h3-10,12-13H,11H2,1-2H3;1H/q+1;/p-1


name: 1,1,2,2-Tetrahydroperfluorotetradecyl acrylate
cas: 34395-24-9
chemspiderid: 106054
dtxsid: DTXSID5067841
formula: C17H7F25O2
inchikey: SWTZSHBOMGAQKX-UHFFFAOYSA-N
norman_susdat_id: NS00010997
pubchem_cid: 118677
smiles: C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C=C
inchi:
InChI=1S/C17H7F25O2/c1-2-5(43)44-4-3-6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)14(34,35)15(36,37)16(38,39)17(40,41)42/h2H,1,3-4H2


name: Glycine, N-[3-(dodecylamino)propyl]-
cas: 34395-72-7
chemspiderid: 106055
dtxsid: DTXSID0067842
formula: C17H36N2O2
inchikey: FDKNTODVCFVEDJ-UHFFFAOYSA-N
norman_susdat_id: NS00010192
pubchem_cid: 118678
smiles: CCCCCCCCCCCCNCCCNCC(O)=O
inchi:
InChI=1S/C17H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15-19-16-17(20)21/h18-19H,2-16H2,1H3,(H,20,21)


name: 10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monohydrochloride
cas: 34396-64-0
formula: C19H25N3O2S2.ClH
inchikey: YKXZRFSKLBBPQN-UHFFFAOYSA-N
norman_susdat_id: NS00087541
smiles: Cl.CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C
inchi:
InChI=1/C19H25N3O2S2.ClH/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;1H


name: 1,3-Bis(2,2,6,6-tetramethyl-4-piperidyl)urea
cas: 34402-56-7
chemspiderid: 105601
dtxsid: DTXSID10187977
formula: C19H38N4O1
inchikey: DDZKTVIFMVNQSK-UHFFFAOYSA-N
norman_susdat_id: NS00029656
pubchem_cid: 118165
smiles: CC1(C)CC(CC(C)(C)N1)NC(=O)NC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C19H38N4O/c1-16(2)9-13(10-17(3,4)22-16)20-15(24)21-14-11-18(5,6)23-19(7,8)12-14/h13-14,22-23H,9-12H2,1-8H3,(H2,20,21,24)


cas: 34404-36-9
dtxsid: DTXSID30955953
formula: C23H31N3O8
inchikey: YWLICOCXPNQJPC-KRWDZBQOSA-N
norman_susdat_id: NS00054918
pubchem_cid: 12686578
smiles: O=C(OCC=1C=CC=CC1)NCCCCC(NC(=O)OC(C)(C)C)C(=O)ON2C(=O)CCC2=O
name:
Benzyl (S)-[5-[[(1,1-dimethylethoxy)carbonyl]amino]-6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]carbamate

inchi:
InChI=1/C23H31N3O8/c1-23(2,3)33-22(31)25-17(20(29)34-26-18(27)12-13-19(26)28)11-7-8-14-24-21(30)32-15-16-9-5-4-6-10-16/h4-6,9-10,17H,7-8,11-15H2,1-3H3,(H,24,30)(H,25,31)


name: Direct Red 23
cas: 3441-14-3
chemspiderid: 7844597
dtxsid: DTXSID90879787
formula: C35H27N7O7S1
inchikey: NLMHXPDMNXMQBY-KWQKICJSSA-L
norman_susdat_id: NS00019521
pubchem_cid: NA
smiles: CC(=O)Nc1ccc(N=Nc2c(S(O)(=O)=O)cc3cc(NC(=O)Nc4ccc5c(c4)ccc(N=Nc4ccccc4)c5O)ccc3c2O)cc1
inchi:
InChI=1S/C35H27N7O7S/c1-20(43)36-23-8-10-25(11-9-23)40-42-32-31(50(47,48)49)19-22-18-27(13-15-29(22)34(32)45)38-35(46)37-26-12-14-28-21(17-26)7-16-30(33(28)44)41-39-24-5-3-2-4-6-24/h2-19,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)/b41-39+,42-40?


name: (L)-ornithine 2-oxoglutarate
cas: 34414-83-0
formula: C5H12N2O2.xC5H6O5
inchikey: SLPUVFBNQHVEEU-WCCKRBBISA-N
norman_susdat_id: NS00088069
smiles: NCCC[C@H](N)C(=O)O.OC(=O)CCC(=O)C(=O)O
inchi:
InChI=1/C5H12N2O2.C5H6O5/c6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)


name: Sodium tetraoctylaluminate
cas: 34417-26-0
formula: C32H68Al.Na
inchikey: BWDGDLVPRLPLGN-UHFFFAOYSA-N
norman_susdat_id: NS00088086
smiles: [Na+].CCCCCCCC[Al-](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/4C8H17.Al.Na/c4*1-3-5-7-8-6-4-2;;/h4*1,3-8H2,2H3;;/q;;;;-1;+1/rC32H68Al.Na/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;/q-1;+1


name: Direct Black 51
cas: 3442-21-5
chemspiderid: 7850274
dtxsid: DTXSID30879786
formula: C27H19N5O7S1
inchikey: VBAWUHDHVNGQBQ-GEZFLYMTSA-N
norman_susdat_id: NS00013611
pubchem_cid: NA
inchi:
InChI=1S/C27H19N5O7S.2Na/c28-15-6-5-14-11-24(40(37,38)39)25(26(34)19(14)12-15)32-31-22-9-8-21(17-3-1-2-4-18(17)22)30-29-16-7-10-23(33)20(13-16)27(35)36;;/h1-13,30-31H,28H2,(H,35,36)(H,37,38,39);;/q;2*+1/p-2/b29-16+,32-25-;;

smiles:
[Na+].[Na+].Nc1ccc2C=C(/C(=N/Nc3ccc(NN=C4C=CC(=O)C(=C4)C([O-])=O)c5ccccc35)C(=O)c2c1)[S]([O-])(=O)=O


name: 4-[(4-iminocyclohexa-2,5-dien-1-ylidene)benzyl]aniline monohydrochloride
cas: 3442-83-9
dtxsid: DTXSID9063031
formula: C19H16N2
inchikey: SPJSTBGXLCMAJN-UHFFFAOYSA-N
norman_susdat_id: NS00048174
pubchem_cid: 102414
smiles: Cl.N=C1C=CC(C=C1)=C(C=2C=CC=CC2)C3=CC=C(N)C=C3
inchi:
InChI=1/C19H16N2.ClH/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;/h1-13,20H,21H2;1H


name: Proxifezone
cas: 34427-79-7
formula: C22H29NO2.C19H20N2O2
inchikey: IUTSUHBXMNNSGZ-UHFFFAOYSA-N
norman_susdat_id: NS00087571
smiles: CCCCC1=C(O)N(N(C1=O)c2ccccc2)c3ccccc3.CCC(=O)OC(Cc4ccccc4)(C(C)CN(C)C)c5ccccc5
inchi:
InChI=1/C22H29NO2.C19H20N2O2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h6-15,18H,5,16-17H2,1-4H3;4-13,22H,2-3,14H2,1H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-(2-fluorophenyl)nonanamide
cas: 344282-15-1
dtxsid: DTXSID00896182
formula: C15H5F18NO
inchikey: QHWBQYJWYBHGBR-UHFFFAOYSA-N
norman_susdat_id: NS00109033
smiles: Fc1ccccc1NC(=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/C15H5F18NO/c16-5-3-1-2-4-6(5)34-7(35)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H,(H,34,35)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-(4-fluorophenyl)nonanamide
cas: 344282-18-4
dtxsid: DTXSID50896172
formula: C15H5F18NO
inchikey: WYHGHNIBXSPBLM-UHFFFAOYSA-N
norman_susdat_id: NS00110767
smiles: Fc1ccc(NC(=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)cc1
inchi:
InChI=1S/C15H5F18NO/c16-5-1-3-6(4-2-5)34-7(35)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H,(H,34,35)


name: 1-Pyrenebutanoic acid
cas: 3443-45-6
chemspiderid: 69424
dtxsid: DTXSID4063032
formula: C20H16O2
inchikey: QXYRRCOJHNZVDJ-UHFFFAOYSA-N
norman_susdat_id: NS00029662
pubchem_cid: 76977
smiles: OC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34
inchi:
InChI=1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)


name: 2-Linoleoyl glycerol
cas: 3443-82-1
chebiid: CHEBI:75457
chemspiderid: 4517636
formula: C21H38O4
inchikey: IEPGNWMPIFDNSD-HZJYTTRNSA-N
norman_susdat_id: NS00017072
pubchem_cid: 5365676
smiles: CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO
inchi:
InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-


name: 1-Amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide
cas: 3443-93-4
chemspiderid: 69426
dtxsid: DTXSID70188006
formula: C21H21N3O3
inchikey: NTQMUNJWJPLBFC-UHFFFAOYSA-N
norman_susdat_id: NS00021127
pubchem_cid: 76979
smiles: NC(=O)c1cc(NC2CCCCC2)c2C(=O)c3c(cccc3)C(=O)c2c1N
inchi:
InChI=1S/C21H21N3O3/c22-18-14(21(23)27)10-15(24-11-6-2-1-3-7-11)16-17(18)20(26)13-9-5-4-8-12(13)19(16)25/h4-5,8-11,24H,1-3,6-7,22H2,(H2,23,27)


name: Evonoside
cas: 34431-62-4
chemspiderid: 3037150
formula: C41H64O18
inchikey: XGXBZAKHPZJFOQ-RRAKZCAWSA-N
norman_susdat_id: NS00093813
pubchem_cid: 2300973
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O


name: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzimidazolium chloride
cas: 34432-89-8
dtxsid: DTXSID60955981
formula: C20H23ClN6
inchikey: DWYRDQVEQVWYSB-UHFFFAOYSA-N
norman_susdat_id: NS00055853
pubchem_cid: NA
smiles: [Cl-].N#CCCN(C1=CC=C(N=NC2=CC(Cl)=CC3=C2N(C)C[NH+]3C)C=C1)CC
inchi:
InChI=1/C20H23ClN6.ClH/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2;/h6-9,12-13H,4-5,11,14H2,1-3H3;1H


name: 2-(3-hydroxy-2-quinolyl)-5-phenyl-1H-indene-1,3(2H)-dione
cas: 34432-91-2
dtxsid: DTXSID20955982
formula: C24H15NO3
inchikey: SEMBXXDVPHSLRG-UHFFFAOYSA-N
norman_susdat_id: NS00054519
pubchem_cid: 118169
smiles: O=C1C=2C=CC(=CC2C(=O)C1C3=NC=4C=CC=CC4C=C3O)C=5C=CC=CC5
inchi:
InChI=1/C24H15NO3/c26-20-13-16-8-4-5-9-19(16)25-22(20)21-23(27)17-11-10-15(12-18(17)24(21)28)14-6-2-1-3-7-14/h1-13,21,26H


name: N-Ethyl-N-(2-(1-(2-methylpropoxy)ethoxy)ethyl)-4-(phenylazo)aniline
cas: 34432-92-3
chemspiderid: 105606
dtxsid: DTXSID60865718
formula: C22H31N3O2
inchikey: BATVZJPOLFSGTD-UHFFFAOYSA-N
norman_susdat_id: NS00002855
pubchem_cid: 118170
smiles: CCN(CCOC(C)OCC(C)C)c1ccc(cc1)N=Nc1ccccc1
inchi:
InChI=1S/C22H31N3O2/c1-5-25(15-16-26-19(4)27-17-18(2)3)22-13-11-21(12-14-22)24-23-20-9-7-6-8-10-20/h6-14,18-19H,5,15-17H2,1-4H3


name: Abiet-8(14)-en-18-oic acid (NSC18746)
cas: 34434-80-5
chemspiderid: 197713
dtxsid: DTXSID40280804
formula: C20H32O2
inchikey: BTAURFWABMSODR-UHFFFAOYSA-N
norman_susdat_id: NS00001533
pubchem_cid: 227277
smiles: CC(C)C1CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
inchi:
InChI=1S/C20H32O2/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/h12-14,16-17H,5-11H2,1-4H3,(H,21,22)


name: 7,10-Dihydro-7-methyl-10-oxo-1H-(1,3)dioxino(5,4-f)quinoline-9-carboxylic acid
cas: 34435-60-4
chemspiderid: 8282230
dtxsid: DTXSID90188008
formula: C13H11N1O5
inchikey: DVNWZDISVTYKOF-UHFFFAOYSA-N
norman_susdat_id: NS00029663
pubchem_cid: 10106704
smiles: Cn1cc(C(=O)O)c(=O)c2c1ccc1c2COCO1
inchi:
InChI=1S/C13H11NO5/c1-14-4-7(13(16)17)12(15)11-8-5-18-6-19-10(8)3-2-9(11)14/h2-4H,5-6H2,1H3,(H,16,17)


name: (carboxymethyl)trimethylammonium D-glucuronate
cas: 34437-34-8
formula: C6H9O7.C5H12NO2
inchikey: NTRGSJJAAMSXHU-JSCKKFHOSA-N
norman_susdat_id: NS00088088
smiles: C[N+](C)(C)CC(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-]
inchi:
InChI=1/C6H10O7.C5H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-6(2,3)4-5(7)8/h1-5,8-11H,(H,12,13);4H2,1-3H3


name: Azaspiracid 4
cas: 344422-49-7
dtxsid: DTXSID80880024
formula: C46H69NO13
inchikey: OVUUSRBSEMRJGT-JOAUMJRMSA-N
norman_susdat_id: NS00075609
inchi:
InChI=1S/C46H69NO13/c1-25-17-35-40-37(23-44(58-40)29(5)16-26(2)24-47-44)56-43(21-25,55-35)22-28(4)39-27(3)11-13-45(52,59-39)41(51)36-20-34-33(53-36)18-30(6)46(57-34)15-14-42(60-46)12-7-8-32(54-42)10-9-31(48)19-38(49)50/h7,9-10,12,25-27,29-37,39-41,47-48,51-52H,4,8,11,13-24H2,1-3,5-6H3,(H,49,50)/b10-9+/t25-,26+,27+,29-,30+,31+,32+,33+,34+,35+,36-,37+,39+,40+,41+,42+,43-,44-,45-,46-/m1/s1

smiles:
[H][C@@]1(C[C@]2([H])O[C@@]3(CC[C@]4(O3)O[C@@H](CC=C4)C=C[C@H](O)CC(O)=O)[C@@H](C)C[C@]2([H])O1)[C@H](O)[C@@]1(O)CC[C@H](C)[C@H](O1)C(=C)C[C@]12C[C@H](C)C[C@H](O1)[C@]1([H])O[C@@]3(C[C@]1([H])O2)NC[C@@H](C)C[C@H]3C


name: Didecyl peroxydicarbonate
cas: 34443-09-9
dtxsid: DTXSID40955989
formula: C22H42O6
inchikey: NMDKVIXSODVDJT-UHFFFAOYSA-N
norman_susdat_id: NS00055855
pubchem_cid: 118684
smiles: O=C(OOCCCCCCCCCC)C(=O)OOCCCCCCCCCC
inchi:
InChI=1/C22H42O6/c1-3-5-7-9-11-13-15-17-19-25-27-21(23)22(24)28-26-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3


name: Cefamandole
cas: 34444-01-4
chebiid: CHEBI:3480
chemspiderid: 401748
dtxsid: DTXSID7022750
formula: C18H18N6O5S2
inchikey: OLVCFLKTBJRLHI-AXAPSJFSSA-N
norman_susdat_id: NS00002796
pubchem_cid: 456255
smiles: Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O
inchi:
InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1


name: 2-(dimethylamino)-n-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide
cas: 344458-15-7
chebiid: CHEBI:167900
formula: C17H17N3O2
inchikey: UYJZZVDLGDDTCL-UHFFFAOYSA-N
norman_susdat_id: NS00068150
pubchem_cid: 4858
smiles: CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
inchi:
InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)


name: Benzenamine, N,N-diethyl-3-methyl-4-[[4-[(4-nitrophenyl)azo]-1-naphthalenyl]azo]-
cas: 34446-26-9
chemspiderid: 106062
dtxsid: DTXSID5067845
formula: C27H26N6O2
inchikey: DZQBPRXAQZNPHZ-UHFFFAOYSA-N
norman_susdat_id: NS00029665
pubchem_cid: 118685
smiles: CCN(CC)c1ccc(N=Nc2c3ccccc3c(cc2)N=Nc2ccc(cc2)[N+](=O)[O-])c(C)c1
inchi:
InChI=1S/C27H26N6O2/c1-4-32(5-2)22-14-15-25(19(3)18-22)29-31-27-17-16-26(23-8-6-7-9-24(23)27)30-28-20-10-12-21(13-11-20)33(34)35/h6-18H,4-5H2,1-3H3/b30-28+,31-29?


name: 1-Methoxy-2-phenyl-3H-naphtho(2,1,8-mna)xanthen-3-one
cas: 34446-34-9
chemspiderid: 21229911
dtxsid: DTXSID20188016
formula: C26H16O3
inchikey: IHKXTWLMAYXHLL-UHFFFAOYSA-N
norman_susdat_id: NS00029666
pubchem_cid: 56842910
smiles: COc1c(c(=O)c2ccc3oc4ccccc4c4c3c2c1cc4)c1ccccc1
inchi:
InChI=1S/C26H16O3/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3


name: 1,1,2,2-Tetrahydroperfluorododecanethiol
cas: 34451-28-0
chemspiderid: 13908764
dtxsid: DTXSID00880389
formula: C12H5F21S1
inchikey: WUHVTJLYXHSDMR-UHFFFAOYSA-N
norman_susdat_id: NS00018958
pubchem_cid: 14473341
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCS
inchi:
InChI=1S/C12H5F21S/c13-3(14,1-2-34)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/h34H,1-2H2


name: 3-Methoxy-2-phenyl-1H-naphtho(2,1,8-mna)xanthen-1-one
cas: 34453-37-7
chemspiderid: 2349971
dtxsid: DTXSID30188027
formula: C26H16O3
inchikey: PFGQZNOSVXTBFR-UHFFFAOYSA-N
norman_susdat_id: NS00029668
pubchem_cid: 3094181
smiles: COc1c(c(=O)c2c3c1ccc1oc4ccccc4c(cc2)c31)c1ccccc1
inchi:
InChI=1S/C26H16O3/c1-28-26-19-13-14-21-24-17(16-9-5-6-10-20(16)29-21)11-12-18(23(19)24)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3


name: 1-Hexanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-
cas: 34455-03-3
chemspiderid: 106067
dtxsid: DTXSID5067849
formula: C10H10F13N1O3S1
inchikey: SSGYCIQAXNQIBC-UHFFFAOYSA-N
norman_susdat_id: NS00010977
pubchem_cid: 118690
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCO)C
inchi:
InChI=1S/C10H10F13NO3S/c1-2-24(3-4-25)28(26,27)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h25H,2-4H2,1H3


name: 8:2 Fuorotelomer sulfonamide betaine
cas: 34455-21-5
chemspiderid: NA
dtxsid: DTXSID70880432
formula: C17H20F17N2O4S1
inchikey: CHXIOPKBQQWFAO-UHFFFAOYSA-N
norman_susdat_id: NS00018959
pubchem_cid: 90471651
smiles: C[N+](C)(CCCNS(=O)(=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)CC([O-])=O
inchi:
InChI=1S/C17H19F17N2O4S/c1-36(2,8-9(37)38)6-3-5-35-41(39,40)7-4-10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h35H,3-8H2,1-2H3/p+1


name: 6:2 Fluorotelomer sulfonamide amine
cas: 34455-22-6
chemspiderid: 23350873
dtxsid: DTXSID30880433
formula: C13H17F13N2O2S1
inchikey: TZIPMEZQXPAKPK-UHFFFAOYSA-N
norman_susdat_id: NS00006516
pubchem_cid: 89927646
smiles: CN(C)CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H17F13N2O2S/c1-28(2)6-3-5-27-31(29,30)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h27H,3-7H2,1-2H3


name: 6:2 Fluorotelomer sulfonamide betaine
cas: 34455-29-3
chemspiderid: 106068
dtxsid: DTXSID4041284
formula: C15H20F13N2O4S1
inchikey: OKOCIUJVPQKDLL-UHFFFAOYSA-N
norman_susdat_id: NS00011051
pubchem_cid: 118691
smiles: C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[S](=O)(=O)NCCC[N+](CC([O-])=O)(C)C
inchi:
InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3


name: 10:2 Fluorotelomer sulfonamide betaine
cas: 34455-35-1
chemspiderid: NA
dtxsid: DTXSID90880434
formula: C19H20F21N2O4S1
inchikey: OLIPKLFYFITKBO-UHFFFAOYSA-N
norman_susdat_id: NS00018960
pubchem_cid: 90471653
inchi:
InChI=1S/C19H19F21N2O4S/c1-42(2,8-9(43)44)6-3-5-41-47(45,46)7-4-10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h41H,3-8H2,1-2H3/p+1

smiles:
C[N+](C)(CCCNS(=O)(=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)CC([O-])=O


name: 2,2,2-Trifluoroethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
cas: 344580-04-7
chemspiderid: 8479008
dtxsid: DTXSID40437856
formula: C13H6F20O2
inchikey: BLEHPPKIGGUMEF-UHFFFAOYSA-N
norman_susdat_id: NS00018961
pubchem_cid: 10303542
smiles: FC(F)(F)COC(=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/C13H6F20O2/c14-5(15,2-1-4(34)35-3-6(16,17)18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)33/h1-3H2


name: Calcium bis[2-butyl-3-(1,2-diphenylhydrazino)-3-oxopropionate]
cas: 34461-73-9
chebiid: CHEBI:76123
formula: C19H22N2O3.1/2Ca
inchikey: RKINNRASCJRSHD-UHFFFAOYSA-L
norman_susdat_id: NS00088097
smiles: [Ca+2].CCCCC(C(=O)[O-])C(=O)N(Nc1ccccc1)c2ccccc2.CCCCC(C(=O)[O-])C(=O)N(Nc3ccccc3)c4ccccc4
inchi:
InChI=1/2C19H22N2O3.Ca/c2*1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15;/h2*4-13,17,20H,2-3,14H2,1H3,(H,23,24);/q;;+2/p-2


name: Benfurodil hemisuccinate
cas: 3447-95-8
formula: C19H18O7
inchikey: URIZBPYQIRFMBF-UHFFFAOYSA-N
norman_susdat_id: NS00048175
pubchem_cid: 71817
smiles: O=C1OCC(=C1)C=2C=CC=3OC(=C(C3C2)C)C(OC(=O)CCC(=O)O)C
inchi:
InChI=1/C19H18O7/c1-10-14-7-12(13-8-18(23)24-9-13)3-4-15(14)26-19(10)11(2)25-17(22)6-5-16(20)21/h3-4,7-8,11H,5-6,9H2,1-2H3,(H,20,21)


name: Bis(3,5-diisopropylsalicylato-O1,O2)hydroxychromium
cas: 34481-85-1
formula: C26H35CrO7
inchikey: SKLOKXUKVDZGTC-UHFFFAOYSA-K
norman_susdat_id: NS00087610
smiles: CC(C)c1cc(C(C)C)c(O)c(c1)C(=O)O[Cr](O)OC(=O)c2cc(cc(C(C)C)c2O)C(C)C
inchi:
InChI=1/2C13H18O3.Cr.H2O/c2*1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16;;/h2*5-8,14H,1-4H3,(H,15,16);;1H2/q;;+3;/p-3/rC26H35CrO7/c1-13(2)17-9-19(15(5)6)23(28)21(11-17)25(30)33-27(32)34-26(31)22-12-18(14(3)4)10-20(16(7)8)24(22)29/h9-16,28-29,32H,1-8H3


name: Fletazepam
cas: 34482-99-0
dtxsid: DTXSID10188040
formula: C17H13ClF4N2
inchikey: CIZCSUNUBQXVFP-UHFFFAOYSA-N
norman_susdat_id: NS00054569
pubchem_cid: 36834
smiles: FC=1C=CC=CC1C2=NCCN(C=3C=CC(Cl)=CC23)CC(F)(F)F
inchi:
InChI=1/C17H13ClF4N2/c18-11-5-6-15-13(9-11)16(12-3-1-2-4-14(12)19)23-7-8-24(15)10-17(20,21)22/h1-6,9H,7-8,10H2


name: Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenolate S,S-dioxide
cas: 34487-61-1
formula: C19H14O5S.Na
inchikey: HKHYOKBQJILTEI-UHFFFAOYSA-L
norman_susdat_id: NS00087361
smiles: [Na+].[O-]c1ccc(cc1)C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])cc4
inchi:
InChI=1/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;/q;+1/p-2


name: Dibekacin
cas: 34493-98-6
chebiid: CHEBI:37945
chemspiderid: 413666
dtxsid: DTXSID2022915
formula: C18H37N5O8
inchikey: JJCQSGDBDPYCEO-XVZSLQNASA-N
norman_susdat_id: NS00011541
pubchem_cid: 470999
inchi:
InChI=1S/C18H37N5O8/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

smiles:
C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N


name: SSR69071
cas: 344930-95-6
chebiid: CHEBI:93283
chemspiderid: 8048127
dtxsid: DTXSID1047368
formula: C27H32N4O7S1
inchikey: DRZXDZYWZSKFDL-UHFFFAOYSA-N
norman_susdat_id: NS00015602
pubchem_cid: 9872438
smiles: CC(C)C1=CC(=CC2=C1C(=O)N(S2(=O)=O)COC3=CC(=O)N4C=CC=C(C4=N3)OCCN5CCCCC5)OC
inchi:
InChI=1S/C27H32N4O7S/c1-18(2)20-14-19(36-3)15-22-25(20)27(33)31(39(22,34)35)17-38-23-16-24(32)30-11-7-8-21(26(30)28-23)37-13-12-29-9-5-4-6-10-29/h7-8,11,14-16,18H,4-6,9-10,12-13,17H2,1-3H3


name: Antimony sodium tartrate
cas: 34521-09-0
formula: C8H4O12Sb2.2Na
inchikey: CLDMABSKXWFCBH-UHFFFAOYSA-L
norman_susdat_id: NS00087363
smiles: [Na+].[SbH3+3].OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C4H6O6.Na.Sb.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+1;+3;;;/p-2/rC4H6O6.Na.H3Sb/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+1;+3/p-2


name: N-(adamantan-1-ylmethyl)-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide
cas: 345304-65-6
formula: C24H35ClN2O2
inchikey: HSQAARMBHJCUOK-UHFFFAOYSA-N
norman_susdat_id: NS00072076
pubchem_cid: 10161381
smiles: O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CCCNCCCO)ccc1Cl
inchi:
InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)


name: Benzoic acid, 3,4,5-trihydroxy-, 2-ethylhexyl ester
cas: 34531-26-5
chemspiderid: 105609
dtxsid: DTXSID00885591
formula: C15H22O5
inchikey: MTPIQEWGULCIPM-UHFFFAOYSA-N
norman_susdat_id: NS00013671
pubchem_cid: 118173
smiles: CCCCC(CC)COC(=O)c1cc(O)c(O)c(O)c1
inchi:
InChI=1S/C15H22O5/c1-3-5-6-10(4-2)9-20-15(19)11-7-12(16)14(18)13(17)8-11/h7-8,10,16-18H,3-6,9H2,1-2H3


name: Arnicolide D
cas: 34532-68-8
chemspiderid: 158463
dtxsid: DTXSID40188078
formula: C19H24O5
inchikey: NZESEVTYUVXOTC-APDQSUQKSA-N
norman_susdat_id: NS00094700
pubchem_cid: 182199
smiles: C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
inchi:
InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,10-13,15-16H,1,8H2,2-5H3/t10-,11+,12+,13-,15-,16+,19+/m1/s1


name: 1-[4-[2-[(1-methyl-2-phenylethyl)amino]ethoxy]phenyl]propan-1-one hydrochloride
cas: 34535-82-5
dtxsid: DTXSID60956054
formula: C20H25NO2
inchikey: JBRMDQPNYSODSK-UHFFFAOYSA-N
norman_susdat_id: NS00055906
pubchem_cid: 3015688
smiles: Cl.O=C(C1=CC=C(OCCNC(C)CC=2C=CC=CC2)C=C1)CC
inchi:
InChI=1/C20H25NO2.ClH/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17;/h4-12,16,21H,3,13-15H2,1-2H3;1H


name: a-ethyl-4-[2-[(1-methyl-2-phenylethyl)amino]ethoxy]benzyl alcohol hydrochloride
cas: 34535-83-6
dtxsid: DTXSID20956055
formula: C20H27NO2
inchikey: LIMLACIQKMVOAD-UHFFFAOYSA-N
norman_susdat_id: NS00054570
pubchem_cid: 71934
smiles: Cl.OC(C1=CC=C(OCCNC(C)CC=2C=CC=CC2)C=C1)CC
inchi:
InChI=1/C20H27NO2.ClH/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17;/h4-12,16,20-22H,3,13-15H2,1-2H3;1H


name: 17,21-Dihydroxy-16alpha-methylpregna-4,9(11)-diene-3,20-dione 21-acetate
cas: 34542-56-8
chemspiderid: 21229915
dtxsid: DTXSID90188083
formula: C24H32O5
inchikey: SNMKPDYDNGYYEM-PYAFTSMNSA-N
norman_susdat_id: NS00029678
pubchem_cid: 13519827
smiles: CC1CC2C3CCC4=CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(=O)C
inchi:
InChI=1S/C24H32O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h8,12,14,18,20,28H,5-7,9-11,13H2,1-4H3/t14-,18-,20-,22+,23+,24+/m0/s1


name: 1,1'-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
cas: 34551-62-7
chemspiderid: 147702
dtxsid: DTXSID60188090
formula: C17H18N2O4
inchikey: BNFZVEKTXGCTQQ-UHFFFAOYSA-N
norman_susdat_id: NS00018713
pubchem_cid: 288674
smiles: CC1=C(C(=O)C)C(C(=C(N1)C)C(=O)C)c1cccc(c1)N(=O)=O
inchi:
InChI=1S/C17H18N2O4/c1-9-15(11(3)20)17(16(12(4)21)10(2)18-9)13-6-5-7-14(8-13)19(22)23/h5-8,17-18H,1-4H3


name: 4-(4-chlorophenyl)-4-hydroxy-N,N-dimethyl-a,a-diphenylpiperidine-1-butyramide monohydrochloride
cas: 34552-83-5
chebiid: CHEBI:6533
formula: C29H33ClN2O2.ClH
inchikey: PGYPOBZJRVSMDS-UHFFFAOYSA-N
norman_susdat_id: NS00087662
smiles: Cl.CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C29H33ClN2O2.ClH/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23;/h3-16,34H,17-22H2,1-2H3;1H


name: Isoxicam
cas: 34552-84-6
chebiid: CHEBI:76163
chemspiderid: 4510183
dtxsid: DTXSID0045462
formula: C14H13N3O5S1
inchikey: YYUAYBYLJSNDCX-UHFFFAOYSA-N
norman_susdat_id: NS00015434
pubchem_cid: 54677972
smiles: CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
inchi:
InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)


name: 2,2'-Methylenebis(6-tert-butyl-3,4-xylenol)
cas: 34560-22-0
chemspiderid: NA
dtxsid: DTXSID80188097
formula: C25H36O2
inchikey: CVWCOXJKYNCOJN-UHFFFAOYSA-N
norman_susdat_id: NS00029682
pubchem_cid: 14636760
smiles: Cc1cc(c(O)c(Cc2c(C)c(C)cc(c2O)C(C)(C)C)c1C)C(C)(C)C
inchi:
InChI=1S/C25H36O2/c1-14-11-20(24(5,6)7)22(26)18(16(14)3)13-19-17(4)15(2)12-21(23(19)27)25(8,9)10/h11-12,26-27H,13H2,1-10H3


name: 9,10-Anthracenedione, 1,1'-iminobis[5-amino-
cas: 34560-30-0
chemspiderid: 106075
dtxsid: DTXSID9067855
formula: C28H17N3O4
inchikey: JFWRJKSJBUGSLG-UHFFFAOYSA-N
norman_susdat_id: NS00029683
pubchem_cid: 118701
smiles: Nc1cccc2c1C(=O)c1cccc(Nc3cccc4c3C(=O)c3c(c(N)ccc3)C4=O)c1C2=O
inchi:
InChI=1S/C28H17N3O4/c29-17-9-1-5-13-21(17)25(32)15-7-3-11-19(23(15)27(13)34)31-20-12-4-8-16-24(20)28(35)14-6-2-10-18(30)22(14)26(16)33/h1-12,31H,29-30H2


name: 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl hexadecanoate
cas: 34562-29-3
dtxsid: DTXSID80956071
formula: C45H80O3
inchikey: GEDVGZULFCXUQL-UHFFFAOYSA-N
norman_susdat_id: NS00054585
pubchem_cid: 13691242
smiles: O=C(OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C45H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-31-42(46)47-43-38(6)39(7)44-41(40(43)8)32-34-45(9,48-44)33-25-30-37(5)29-24-28-36(4)27-23-26-35(2)3/h35-37H,10-34H2,1-9H3


name: 3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine
cas: 34562-31-7
chemspiderid: 106077
dtxsid: DTXSID2044923
formula: C18H25N1
inchikey: IAAASXBHFUJLHW-UHFFFAOYNA-N
norman_susdat_id: NS00019565
pubchem_cid: NA
smiles: CCCC1N(C=C(CC)C=C1CC)c1ccccc1
inchi:
InChI=1S/C18H25N/c1-4-10-18-16(6-3)13-15(5-2)14-19(18)17-11-8-7-9-12-17/h7-9,11-14,18H,4-6,10H2,1-3H3/t18-/m1/s1


name: BMS 387032
cas: 345627-80-7
chebiid: CHEBI:91399
dtxsid: DTXSID50188100
formula: C17H24N4O2S2
inchikey: OUSFTKFNBAZUKL-UHFFFAOYSA-N
norman_susdat_id: NS00069289
pubchem_cid: 3025986
smiles: CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
inchi:
InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)


name: 2-Hydroxy-4-(octadecyloxy)benzophenone
cas: 3457-13-4
chemspiderid: 69440
dtxsid: DTXSID40188114
formula: C31H46O3
inchikey: POLSVAXEEHDBMJ-UHFFFAOYSA-N
norman_susdat_id: NS00029685
pubchem_cid: 76994
smiles: CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
inchi:
InChI=1S/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-28-23-24-29(30(32)26-28)31(33)27-21-18-17-19-22-27/h17-19,21-24,26,32H,2-16,20,25H2,1H3


name: Ketotifen
cas: 34580-13-7
chebiid: CHEBI:92511
chemspiderid: 3695
dtxsid: DTXSID7023190
formula: C19H19N1O1S1
inchikey: ZCVMWBYGMWKGHF-UHFFFAOYSA-N
norman_susdat_id: NS00009685
pubchem_cid: 3827
smiles: CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
inchi:
InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3


cas: 34580-14-8
chebiid: CHEBI:31750
formula: C19H19NOS.C4H4O4
inchikey: YNQQEYBLVYAWNX-WLHGVMLRSA-N
norman_susdat_id: NS00088107
smiles: CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1.OC(=O)\C=C\C(=O)O
name:
4,9-dihydro-4-(1-methylpiperidin-4-ylidene)-10H-benzo[4,5]cyclohepta[1,2-b]thiophene-10-one fumarate

inchi:
InChI=1/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)


name: Brefeldin A
cas: 3459-16-3
chebiid: CHEBI:48080
chemspiderid: 4449949
dtxsid: DTXSID00880041
formula: C16H24O4
inchikey: KQNZDYYTLMIZCT-KQPMLPITSA-N
norman_susdat_id: NS00011651
pubchem_cid: 5287620
smiles: C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O
inchi:
InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1


name: Glymidine sodium
cas: 3459-20-9
formula: C13H15N3O4S.Na
inchikey: ILXDTRQNTSANCL-UHFFFAOYSA-N
norman_susdat_id: NS00083373
smiles: [Na+].COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1
inchi:
InChI=1/C13H15N3O4S.Na/c1-19-7-8-20-11-9-14-13(15-10-11)16-21(17,18)12-5-3-2-4-6-12;/h2-6,9-10H,7-8H2,1H3,(H,14,15,16);/q;+1


name: Amicarbalide
cas: 3459-96-9
dtxsid: DTXSID20188152
formula: C15H16N6O
inchikey: KRUVSRGJKCHYMY-UHFFFAOYSA-N
norman_susdat_id: NS00048976
pubchem_cid: 72074
smiles: O=C(NC1=CC=CC(=C1)C(=N)N)NC2=CC=CC(=C2)C(=N)N
inchi:
InChI=1/C15H16N6O/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22)


name: Benzylidene-D-glucitol
cas: 34590-02-8
chemspiderid: NA
dtxsid: DTXSID40188154
formula: C13H18O6
inchikey: HZVFRKSYUGFFEJ-ABIPOCLWSA-N
norman_susdat_id: NS00029689
pubchem_cid: 22796725
smiles: OCC(O)C(O)C(O)C(O)C(=Cc1ccccc1)O
inchi:
InChI=1S/C13H18O6/c14-7-10(16)12(18)13(19)11(17)9(15)6-8-4-2-1-3-5-8/h1-6,10-19H,7H2/b9-6-/t10-,11+,12-,13-/m0/s1


name: Ammonium hexadecyl hydrogen phosphate
cas: 34591-13-4
formula: C16H35O4P.H3N
inchikey: HCBUKUOUDQJDIQ-UHFFFAOYSA-N
norman_susdat_id: NS00087685
smiles: [NH4+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C16H35O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);1H3


name: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE
cas: 345912-87-0
dtxsid: DTXSID90332286
formula: C18H22ClNO2
inchikey: BNZHKKGOSYAQSW-UHFFFAOYSA-N
norman_susdat_id: NS00068152
pubchem_cid: 448724
smiles: CCCc1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
inchi:
InChI=1S/C18H22ClNO2/c1-2-6-14-17(22-13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)


name: Calcium (±)-bis[2-(3-phenoxyphenyl)propionate]
cas: 34597-40-5
chebiid: CHEBI:5010
formula: C15H14O3.1/2Ca
inchikey: VHUXSAWXWSTUOD-UHFFFAOYSA-L
norman_susdat_id: NS00087412
smiles: CC(C(=O)O[Ca]OC(=O)C(C)c1cccc(Oc2ccccc2)c1)c3cccc(Oc4ccccc4)c3
inchi:
InChI=1/2C15H14O3.Ca/c2*1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13;/h2*2-11H,1H3,(H,16,17);/q;;+2/p-2


name: 8:3 Fluorotelomer carboxylic acid
cas: 34598-33-9
chemspiderid: 2062568
dtxsid: DTXSID50188165
formula: C11H5F17O2
inchikey: JZRCRCFPVAXHHQ-UHFFFAOYSA-N
norman_susdat_id: NS00002588
pubchem_cid: 2782413
smiles: OC(=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/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)


name: 4'-[2-(2,4-Di-tert-pentylphenoxy)butyramido]perfluoro-2'-hydroxybutyranilide
cas: 346-10-1
chemspiderid: 3143022
dtxsid: DTXSID60880128
formula: C30H37F7N2O4
inchikey: GJVFPXBDZTWODC-UHFFFAOYSA-N
norman_susdat_id: NS00018962
pubchem_cid: 3920522
smiles: [H]N(C(=O)C(CC)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC)C1=CC(O)=C(C=C1)N([H])C(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C30H37F7N2O4/c1-8-22(43-23-14-11-17(26(4,5)9-2)15-19(23)27(6,7)10-3)24(41)38-18-12-13-20(21(40)16-18)39-25(42)28(31,32)29(33,34)30(35,36)37/h11-16,22,40H,8-10H2,1-7H3,(H,38,41)(H,39,42)


name: Polythiazide
cas: 346-18-9
chebiid: CHEBI:8327
chemspiderid: 4704
dtxsid: DTXSID6025939
formula: C11H13Cl1F3N3O4S3
inchikey: CYLWJCABXYDINA-UHFFFAOYSA-N
norman_susdat_id: NS00008710
pubchem_cid: 4870
smiles: CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O
inchi:
InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)


name: Hexyl stearate
cas: 3460-37-5
chemspiderid: 69451
dtxsid: DTXSID8063042
formula: C24H48O2
inchikey: SMWDEDPRQFUXNH-UHFFFAOYSA-N
norman_susdat_id: NS00029694
pubchem_cid: 77005
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCC
inchi:
InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h3-23H2,1-2H3


name: Butyl nonyl phthalate
cas: 3461-31-2
chemspiderid: 69453
dtxsid: DTXSID70188182
formula: C21H32O4
inchikey: VDNXOMXXJXUGHQ-UHFFFAOYSA-N
norman_susdat_id: NS00029697
pubchem_cid: 77007
smiles: CCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCC
inchi:
InChI=1S/C21H32O4/c1-3-5-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-6-4-2/h11-12,14-15H,3-10,13,16-17H2,1-2H3


name: Propanedinitrile, [[4-[[2-(2-benzothiazolylthio)ethyl]ethylamino]-2-methylphenyl]methylene]-
cas: 34613-03-1
chemspiderid: 106082
dtxsid: DTXSID8067860
formula: C22H20N4S2
inchikey: IOUGHRXCRJHWEF-UHFFFAOYSA-N
norman_susdat_id: NS00029696
pubchem_cid: 118708
smiles: CCN(CCSc1nc2c(s1)cccc2)c1ccc(C=C(C#N)C#N)c(C)c1
inchi:
InChI=1S/C22H20N4S2/c1-3-26(10-11-27-22-25-20-6-4-5-7-21(20)28-22)19-9-8-18(16(2)12-19)13-17(14-23)15-24/h4-9,12-13H,3,10-11H2,1-2H3


cas: 34617-32-8
chemspiderid: 132886
dtxsid: DTXSID10188186
formula: C38H56O5
inchikey: ANTFEZADEMVYGA-DVEXYGBFSA-N
norman_susdat_id: NS00029698
pubchem_cid: 150772
smiles: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(OC(=O)c3ccccc3OC(=O)C)c(C)c(C)c2O1
name:
(2R-(2R*(4R*,8R*)))-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl 2-acetoxybenzoate

inchi:
InChI=1S/C38H56O5/c1-25(2)15-12-16-26(3)17-13-18-27(4)19-14-23-38(9)24-22-32-30(7)35(28(5)29(6)36(32)43-38)42-37(40)33-20-10-11-21-34(33)41-31(8)39/h10-11,20-21,25-27H,12-19,22-24H2,1-9H3/t26-,27-,38-/m1/s1


name: Maltopentaose
cas: 34620-76-3
chebiid: CHEBI:61952
chemspiderid: 21229918
formula: C30H52O26
inchikey: FTNIPWXXIGNQQF-DWTFCAFKSA-N
norman_susdat_id: NS00018297
pubchem_cid: 13489094
inchi:
InChI=1S/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26+,27-,28-,29-,30-/m1/s1

smiles:
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)O)CO)CO)CO)CO)O)O)O)O


name: Mon 0585
cas: 34624-81-2
chemspiderid: 142130
dtxsid: DTXSID60188196
formula: C23H32O1
inchikey: ROEHFIIRMUXFRR-UHFFFAOYSA-N
norman_susdat_id: NS00029700
pubchem_cid: 161829
smiles: CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(C)(C)c1ccccc1
inchi:
InChI=1S/C23H32O/c1-21(2,3)18-14-17(15-19(20(18)24)22(4,5)6)23(7,8)16-12-10-9-11-13-16/h9-15,24H,1-8H3


name: Carpaine
cas: 3463-92-1
chebiid: CHEBI:3433
formula: C28H50N2O4
inchikey: AMSCMASJCYVAIF-QCVMBYIASA-N
norman_susdat_id: NS00049437
pubchem_cid: 442630
smiles: O=C1OC2CCC(NC2C)CCCCCCCC(=O)OC3CCC(NC3C)CCCCCCC1
inchi:
InChI=1/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3


name: Cholest-5-ene-3-ß-yl chloroacetate
cas: 3464-50-4
dtxsid: DTXSID00956134
formula: C29H47ClO2
inchikey: XUXXPLDKUZSGKH-OHPSOFBHSA-N
norman_susdat_id: NS00049438
pubchem_cid: 102417
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCl
inchi:
InChI=1/C29H47ClO2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3


name: Cholesta-1,4,6-trien-3-one
cas: 3464-60-6
dtxsid: DTXSID60956135
formula: C27H40O
inchikey: NIJCHQWGAFQPFT-GYKMGIIDSA-N
norman_susdat_id: NS00050136
pubchem_cid: 107390
smiles: O=C1C=CC2(C(C=CC3C2CCC4(C)C3CCC4C(C)CCCC(C)C)=C1)C
inchi:
InChI=1/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3


cas: 34642-77-8
formula: C16H19N3O5S.Na
inchikey: BYHDFCISJXIVBV-UHFFFAOYSA-M
norman_susdat_id: NS00087413
smiles: CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(=O)O[Na]
name:
Sodium [2S-[2a,5a,6ß(S*)]]-6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

inchi:
InChI=1/C16H19N3O5S.Na/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);/q;+1/p-1


name: CALCIUM PANTETHEINE SULFONATE
cas: 34644-00-3
chebiid: CHEBI:147434
chemspiderid: 7995908
formula: C11H22N2O7S2
inchikey: XZYZGXXLESEEBE-UHFFFAOYSA-N
norman_susdat_id: NS00013427
pubchem_cid: NA
inchi:
InChI=1S/2C11H22N2O7S2.Ca/c2*1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-21-22(18,19)20;/h2*9,14,16H,3-7H2,1-2H3,(H,12,15)(H,13,17)(H,18,19,20);/q;;+2/p-2/t2*9-;/m00./s1

smiles:
[Ca++].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS[S]([O-])(=O)=O.CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS[S]([O-])(=O)=O


name: [(p-dodecylphenoxy)methyl]oxirane
cas: 34649-59-7
dtxsid: DTXSID90956143
formula: C21H34O2
inchikey: MSWONMWDQHSVIY-UHFFFAOYSA-N
norman_susdat_id: NS00055027
pubchem_cid: 5743438
smiles: O(C1=CC=C(C=C1)CCCCCCCCCCCC)CC2OC2
inchi:
InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-17-21-18-23-21/h13-16,21H,2-12,17-18H2,1H3


name: Dibutylbis(decanoyloxy)stannane
cas: 3465-75-6
formula: C28H56O4Sn
inchikey: MMEFASXEQMDPAW-UHFFFAOYSA-L
norman_susdat_id: NS00049439
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCC)(CCCC)CCCC)CCCCCCCCC
inchi:
InChI=1/2C10H20O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10(11)12;2*1-3-4-2;/h2*2-9H2,1H3,(H,11,12);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4Sn/c1-5-9-13-15-17-19-21-23-27(29)31-33(25-11-7-3,26-12-8-4)32-28(30)24-22-20-18-16-14-10-6-2/h5-26H2,1-4H3


name: 1,1,3,3-tetrabutyl-1,3-bis[(1-oxooctadecyl)oxy]distannoxane
cas: 3465-77-8
formula: C52H106O5Sn2
inchikey: DBJRAYLKQXBRPP-UHFFFAOYSA-L
norman_susdat_id: NS00050137
pubchem_cid: 16683941
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C18H36O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-4-2;;;/h2*2-17H2,1H3,(H,19,20);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC52H106O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-43-45-51(53)55-58(47-15-9-3,48-16-10-4)57-59(49-17-11-5,50-18-12-6)56-52(54)46-44-42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-50H2,1-6H3


name: 2-[4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methylphenyl]-4-iodo-1H-isoindole-1,3(2H)-dione
cas: 346575-66-4
dtxsid: DTXSID70896452
formula: C18H9F7INO2
inchikey: RQHAMRNZYANQPH-UHFFFAOYSA-N
norman_susdat_id: NS00111489
smiles: Cc1cc(ccc1N1C(=O)c2cccc(I)c2C1=O)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C18H9F7INO2/c1-8-7-9(16(19,17(20,21)22)18(23,24)25)5-6-12(8)27-14(28)10-3-2-4-11(26)13(10)15(27)29/h2-7H,1H3


name: Urapidil
cas: 34661-75-1
chebiid: CHEBI:32278
chemspiderid: 5437
dtxsid: DTXSID9021425
formula: C20H29N5O3
inchikey: ICMGLRUYEQNHPF-UHFFFAOYSA-N
norman_susdat_id: NS00009232
pubchem_cid: 5639
smiles: COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
inchi:
InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3


name: 5-tert-Butyl-7-(heptafluoropropyl)-2-phenylpyrazolo[1,5-a]pyrimidine
cas: 346637-99-8
dtxsid: DTXSID60896269
formula: C19H16F7N3
inchikey: RNWIQELODLHLDL-UHFFFAOYSA-N
norman_susdat_id: NS00111112
smiles: CC(C)(C)c1cc(n2nc(cc2n1)-c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C19H16F7N3/c1-16(2,3)13-10-14(17(20,21)18(22,23)19(24,25)26)29-15(27-13)9-12(28-29)11-7-5-4-6-8-11/h4-10H,1-3H3


name: Pridopidine
cas: 346688-38-8
dtxsid: DTXSID90188225
formula: C15H23NO2S
inchikey: YGKUEOZJFIXDGI-UHFFFAOYSA-N
norman_susdat_id: NS00071661
pubchem_cid: 9795739
smiles: CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1
inchi:
InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3


name: Amelubant
cas: 346735-24-8
dtxsid: DTXSID70188228
formula: C33H34N2O5
inchikey: SBVYURPQULDJTI-UHFFFAOYSA-N
norman_susdat_id: NS00069881
pubchem_cid: 60096302
smiles: CCOC(=O)/N=C(N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1
inchi:
InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)


name: 3-Methylflavone-8-carboxylic acid
cas: 3468-01-7
chebiid: CHEBI:61237
chemspiderid: 69462
dtxsid: DTXSID00188231
formula: C17H12O4
inchikey: KMMBBZOSQNLLMN-UHFFFAOYSA-N
norman_susdat_id: NS00020798
pubchem_cid: 77016
smiles: Cc1c(oc2c(cccc2C(=O)O)c1=O)c1ccccc1
inchi:
InChI=1S/C17H12O4/c1-10-14(18)12-8-5-9-13(17(19)20)16(12)21-15(10)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,20)


name: Benzene-1,3,5-triyl trinicotinate
cas: 3468-40-4
chemspiderid: 69463
dtxsid: DTXSID20188233
formula: C24H15N3O6
inchikey: PTSXETMTZDEFBO-UHFFFAOYSA-N
norman_susdat_id: NS00029708
pubchem_cid: 77017
smiles: O=C(Oc1cc(OC(=O)c2cccnc2)cc(OC(=O)c2cnccc2)c1)c1cnccc1
inchi:
InChI=1S/C24H15N3O6/c28-22(16-4-1-7-25-13-16)31-19-10-20(32-23(29)17-5-2-8-26-14-17)12-21(11-19)33-24(30)18-6-3-9-27-15-18/h1-15H


name: C.I. Pigment Orange 5
cas: 3468-63-1
dtxsid: DTXSID6029258
formula: C16H12N4O5
inchikey: HBHZKFOUIUMKHV-UHFFFAOYSA-N
norman_susdat_id: NS00048855
pubchem_cid: 18981
smiles: O=[N+]([O-])C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H


name: Decanoic acid, octadecyl ester
cas: 34689-06-0
chemspiderid: 106089
dtxsid: DTXSID3067865
formula: C28H56O2
inchikey: ZKGRELFDBYFQAZ-UHFFFAOYSA-N
norman_susdat_id: NS00029713
pubchem_cid: 118716
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
inchi:
InChI=1S/C28H56O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-23-25-27-30-28(29)26-24-22-20-10-8-6-4-2/h3-27H2,1-2H3


cas: 34689-87-7
formula: C14H20N2O5S3
inchikey: PLZOUGJAKFQCQV-UHFFFAOYSA-M
norman_susdat_id: NS00056035
pubchem_cid: 57349110
smiles: [Na+].O=C1C(SC(=S)N1CC)=CC=C2N(CCCOS(=O)(=O)[O-])CCC2
name:
Sodium 3-[2-[(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)ethylidene]pyrrolidin-1-yl]propyl sulphate

inchi:
InChI=1/C14H20N2O5S3.Na/c1-2-16-13(17)12(23-14(16)22)7-6-11-5-3-8-15(11)9-4-10-21-24(18,19)20;/h6-7H,2-5,8-10H2,1H3,(H,18,19,20);/q;+1/p-1


name: Phosphomethylphosphonic Acid Adenylate Ester
cas: 3469-78-1
chebiid: CHEBI:40532
dtxsid: DTXSID80956172
formula: C11H18N5O12P3
inchikey: UFZTZBNSLXELAL-IOSLPCCCSA-N
norman_susdat_id: NS00070427
pubchem_cid: 91532
smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1


name: [[(Phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-phosphonic acid
cas: 34690-00-1
chemspiderid: 106090
dtxsid: DTXSID9029358
formula: C17H44N3O15P5
inchikey: YWMWZKYVGNWJPU-UHFFFAOYSA-N
norman_susdat_id: NS00003814
pubchem_cid: 118717
smiles: OP(O)(=O)CN(CCCCCCN(CP(O)(O)=O)CP(O)(O)=O)CCCCCCN(CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)


name: 1,1',1''-[2-(4-Bromophenyl)ethene-1,1,2-triyl]tribenzene
cas: 34699-28-0
chemspiderid: NA
dtxsid: DTXSID10647788
formula: C18H16F3N3O5
inchikey: DCVONJGFFMYGER-UHFFFAOYSA-N
norman_susdat_id: NS00000849
pubchem_cid: NA
smiles: FC(F)(c1cc(Nc2ncccc2C(NC(CCC(O)=O)C(O)=O)=O)ccc1)F
inchi:
InChI=1S/C18H16F3N3O5/c19-18(20,21)10-3-1-4-11(9-10)23-15-12(5-2-8-22-15)16(27)24-13(17(28)29)6-7-14(25)26/h1-5,8-9,13H,6-7H2,(H,22,23)(H,24,27)(H,25,26)(H,28,29)


cas: 34722-90-2
chemspiderid: 21229921
dtxsid: DTXSID8067866
formula: C27H28Br2O5S1
inchikey: NMKFVGALBGZKGW-UHFFFAOYSA-M
norman_susdat_id: NS00021128
pubchem_cid: 5157491
smiles: [Na+].CC(C)c1cc(/C(=C/2C=C(C(C)C)C(=O)C(=C2C)Br)/c2c(cccc2)S(=O)(=O)[O-])c(C)c(Br)c1O
name:
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt

inchi:
InChI=1S/C27H28Br2O5S/c1-13(2)18-11-20(15(5)24(28)26(18)30)23(17-9-7-8-10-22(17)35(32,33)34)21-12-19(14(3)4)27(31)25(29)16(21)6/h7-14,30H,1-6H3,(H,32,33,34)/b23-21+


name: Bromophenol blue, sodium salt
cas: 34725-61-6
formula: C19H10Br4O5S.Na
inchikey: KGANHHDZDYZJEM-UHFFFAOYSA-M
norman_susdat_id: NS00087450
smiles: Oc1cc(Br)c(c(Br)c1)C2(OS(=O)(=O)c3ccccc23)c4c(Br)cc(O[Na])cc4Br
inchi:
InChI=1/C19H10Br4O5S.Na/c20-12-5-9(24)6-13(21)17(12)19(18-14(22)7-10(25)8-15(18)23)11-3-1-2-4-16(11)29(26,27)28-19;/h1-8,24-25H;/q;+1/p-1


name: Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
cas: 3473-75-4
formula: C10H8N2O6S.2Na
inchikey: RXHYVYDFUMUDDG-UHFFFAOYSA-L
norman_susdat_id: NS00083338
smiles: [Na+].[Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8N2O6S.2Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;;/h1-4H,5H2,(H,14,15)(H,16,17,18);;/q;2*+1/p-2


name: Uridylyl-(3'<U+2192>5')-guanosine
cas: 3474-04-2
formula: C19H24N7O13P
inchikey: ZXNXWZNXTBWPHC-UHFFFAOYSA-N
norman_susdat_id: NS00049470
pubchem_cid: NA
smiles: O=C1C=CN(C(=O)N1)C2(O)OC(CO)C(OP(=O)(O)OCC3OC(N4C=NC=5C(=O)NC(=NC54)N)C(O)C3O)C2
inchi:
InChI=1/C19H24N7O13P/c20-17-23-14-11(15(31)24-17)21-6-25(14)16-13(30)12(29)9(37-16)5-36-40(34,35)39-7-3-19(33,38-8(7)4-27)26-2-1-10(28)22-18(26)32/h1-2,6-9,12-13,16,27,29-30,33H,3-5H2,(H,34,35)(H,22,28,32)(H3,20,23,24,31)


name: Profexalone
cas: 34740-13-1
formula: C13H16N2O3
inchikey: AUVLZBKTWSCAIM-UHFFFAOYSA-N
norman_susdat_id: NS00054703
pubchem_cid: 65786
smiles: O=C1OC(C=2C=CC=CC2)CN1C(=O)NCCC
inchi:
InChI=1/C13H16N2O3/c1-2-8-14-12(16)15-9-11(18-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,16)


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[4-(methylthio)phenoxy]-
cas: 34740-81-3
chemspiderid: 106099
dtxsid: DTXSID2067870
formula: C21H15N1O4S1
inchikey: WXOSHVARKGGGQM-UHFFFAOYSA-N
norman_susdat_id: NS00029722
pubchem_cid: 118727
smiles: CSc1ccc(Oc2c(N)c3c(c(O)c2)C(=O)c2ccccc2C3=O)cc1
inchi:
InChI=1S/C21H15NO4S/c1-27-12-8-6-11(7-9-12)26-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3


name: 3-acetoxy-24-nor-3ß-chol-5-en-23-oic acid
cas: 34751-25-2
formula: C25H38O4
inchikey: COSNVBYTQXPMFE-NXBNXRBISA-N
norman_susdat_id: NS00055073
pubchem_cid: 21119746
smiles: O=C(O)CC(C)C1CCC2C3CC=C4CC(OC(=O)C)CCC4(C)C3CCC12C
inchi:
InChI=1/C25H38O4/c1-15(13-23(27)28)20-7-8-21-19-6-5-17-14-18(29-16(2)26)9-11-24(17,3)22(19)10-12-25(20,21)4/h5,15,18-22H,6-14H2,1-4H3,(H,27,28)


name: 4'-(bromomethyl)-10,11-dihydrospiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]
cas: 34753-41-8
dtxsid: DTXSID40956234
formula: C18H17BrO2
inchikey: AUYAOASYSVVYED-UHFFFAOYSA-N
norman_susdat_id: NS00055074
pubchem_cid: 56843080
smiles: BrCC1OC2(OC1)C=3C=CC=CC3CCC=4C=CC=CC42
inchi:
InChI=1/C18H17BrO2/c19-11-15-12-20-18(21-15)16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)18/h1-8,15H,9-12H2


name: Zipeprol
cas: 34758-83-3
chebiid: CHEBI:135602
chemspiderid: 33868
formula: C23H32N2O3
inchikey: VSTNNAYSCJQCQI-UHFFFAOYSA-N
norman_susdat_id: NS00001926
pubchem_cid: 36910
smiles: COC(CN1CCN(CC(O)C(OC)c2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C23H32N2O3/c1-27-22(19-9-5-3-6-10-19)18-25-15-13-24(14-16-25)17-21(26)23(28-2)20-11-7-4-8-12-20/h3-12,21-23,26H,13-18H2,1-2H3


cas: 34759-29-0
formula: C35H26Cl2N14O16S5
inchikey: CJWGCINWZIYUOA-UHFFFAOYSA-I
norman_susdat_id: NS00055075
pubchem_cid: NA
name:
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[5-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, pentasodium salt

inchi:
InChI=1/C35H26Cl2N14O16S5.5Na/c36-29-44-32(39-16-2-1-3-19(10-16)68(53,54)55)48-33(45-29)41-18-5-7-26(70(59,60)61)24(12-18)43-35-47-30(37)46-34(49-35)40-17-4-6-22(23(11-17)42-31(38)52)50-51-25-14-21-15(9-28(25)72(65,66)67)8-20(69(56,57)58)13-27(21)71(62,63)64;;;;;/h1-14H,(H3,38,42,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,39,41,44,45,48)(H2,40,43,46,47,49);;;;;/q;5*+1/p-5

smiles:
[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)NC5=CC(=CC=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(N6)NC7=CC=CC(=C7)S(=O)(=O)[O-]


name: N-[2-[[4-(2,2-dicyanovinyl)-m-tolyl]ethylamino]ethyl]benzamide
cas: 34759-42-7
dtxsid: DTXSID40956239
formula: C22H22N4O
inchikey: IXMFXNDPKMTYAI-UHFFFAOYSA-N
norman_susdat_id: NS00055076
pubchem_cid: 21149424
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CCNC(=O)C=2C=CC=CC2
inchi:
InChI=1/C22H22N4O/c1-3-26(12-11-25-22(27)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)


cas: 3476-90-2
formula: C35H25N5O7S
inchikey: KXSNOAIRJITAFI-UHFFFAOYSA-L
norman_susdat_id: NS00049440
pubchem_cid: 413418
name:
Disodium 5-[[4'-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C35H25N5O7S.2Na/c41-31-17-16-28(20-30(31)35(43)44)39-37-25-11-6-21(7-12-25)22-8-13-26(14-9-22)38-40-33-32(48(45,46)47)18-23-10-15-27(19-29(23)34(33)42)36-24-4-2-1-3-5-24;;/h1-20,36,41-42H,(H,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C5=CC(=CC=C5C=C4S(=O)(=O)[O-])NC=6C=CC=CC6)C=C3)=CC=C1O


name: Methylniphenazine
cas: 34760-49-1
chemspiderid: 2283794
dtxsid: DTXSID20188314
formula: C18H18N4O2
inchikey: GCIGZRAXWDUHRE-UHFFFAOYSA-N
norman_susdat_id: NS00029729
pubchem_cid: 3015710
smiles: CN(C(=O)c1cccnc1)c1c(C)n(C)n(c1=O)c1ccccc1
inchi:
InChI=1S/C18H18N4O2/c1-13-16(20(2)17(23)14-8-7-11-19-12-14)18(24)22(21(13)3)15-9-5-4-6-10-15/h4-12H,1-3H3


name: Perfluoro-2,5,8,11-tetramethyl-3,6,9,12-tetraoxapentadecanoyl fluoride
cas: 34761-47-2
chemspiderid: 105620
dtxsid: DTXSID20880402
formula: C15F30O5
inchikey: QDHLRGOEEBWEIB-UHFFFAOYSA-N
norman_susdat_id: NS00018964
pubchem_cid: 118188
inchi:
InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, monosodium salt
cas: 34769-44-3
formula: C18H16O7.Na
inchikey: MKLQPOLHKMNWKN-UHFFFAOYSA-N
norman_susdat_id: NS00087753
smiles: [Na+].CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O
inchi:
InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,11,22-23H,1-4H3;/q;+1


name: 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone
cas: 34771-66-9
dtxsid: DTXSID7067871
formula: C21H14ClN5O2
inchikey: XPCRQHRLGGKEPE-UHFFFAOYSA-N
norman_susdat_id: NS00055224
pubchem_cid: 94458
smiles: O=C1OC=2C=C(C=CC2C=C1N3N=CC(Cl)=C3)N4N=C(C=5C=CC=CC5)C(=N4)C
inchi:
InChI=1/C21H14ClN5O2/c1-13-20(14-5-3-2-4-6-14)25-27(24-13)17-8-7-15-9-18(21(28)29-19(15)10-17)26-12-16(22)11-23-26/h2-12H,1H3


name: 4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazinium methanesulphonate
cas: 34775-83-2
dtxsid: DTXSID60956256
formula: C19H22N2S2
inchikey: IJPIXRWVNSSPHP-UHFFFAOYSA-N
norman_susdat_id: NS00055225
pubchem_cid: 213846
smiles: O=S(=O)([O-])C.S1C=2C=CC=CC2CC(C3=CC(SC)=CC=C13)N4CC[NH2+]CC4
inchi:
InChI=1/C19H22N2S2.CH4O3S/c1-22-15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)23-19;1-5(2,3)4/h2-7,13,17,20H,8-12H2,1H3;1H3,(H,2,3,4)


name: 2-hydroxy-3-(2-methylphenoxy)propyl o-acetylsalicylate
cas: 3478-10-2
dtxsid: DTXSID80956258
formula: C19H20O6
inchikey: XWMBLLILMKLCFO-UHFFFAOYSA-N
norman_susdat_id: NS00048873
pubchem_cid: 103021
smiles: O=C(OCC(O)COC=1C=CC=CC1C)C=2C=CC=CC2OC(=O)C
inchi:
InChI=1/C19H20O6/c1-13-7-3-5-9-17(13)23-11-15(21)12-24-19(22)16-8-4-6-10-18(16)25-14(2)20/h3-10,15,21H,11-12H2,1-2H3


name: Etipirium iodide
cas: 3478-15-7
dtxsid: DTXSID40956259
formula: C21H26NO3
inchikey: PCLIRWBVOVZTOK-UHFFFAOYSA-M
norman_susdat_id: NS00050139
pubchem_cid: 71521
smiles: [I-].O=C(OCC[N+]1(C)CCCC1)C(O)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H26NO3.HI/c1-22(14-8-9-15-22)16-17-25-20(23)21(24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,24H,8-9,14-17H2,1H3;1H/q+1;/p-1


name: Sodium 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate
cas: 3478-44-2
dtxsid: DTXSID70956262
formula: C16H24O5
inchikey: AHUAWUAHWZIPJC-UHFFFAOYSA-M
norman_susdat_id: NS00050160
pubchem_cid: 18995
smiles: [Na+].O=C([O-])C=1C=CC=CC1OCC(O)COCCCCCC
inchi:
InChI=1/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);/q;+1/p-1


name: Piperalin
cas: 3478-94-2
chebiid: CHEBI:83284
chemspiderid: 17934
dtxsid: DTXSID7032634
formula: C16H21Cl2N1O2
inchikey: BZGLBXYQOMFXAU-UHFFFAOYSA-N
norman_susdat_id: NS00015467
pubchem_cid: 18996
smiles: CC1CCCCN1CCCOC(=O)C2=CC(=C(C=C2)Cl)Cl
inchi:
InChI=1S/C16H21Cl2NO2/c1-12-5-2-3-8-19(12)9-4-10-21-16(20)13-6-7-14(17)15(18)11-13/h6-7,11-12H,2-5,8-10H2,1H3


name: Tertalolol
cas: 34784-64-0
chebiid: CHEBI:135244
chemspiderid: 33875
formula: C16H25N1O2S1
inchikey: HTWFXPCUFWKXOP-UHFFFAOYSA-N
norman_susdat_id: NS00010652
pubchem_cid: 36920
smiles: CC(C)(C)NCC(COc1cccc2c1SCCC2)O
inchi:
InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3


name: Nystatin A1
cas: 34786-70-4
dtxsid: DTXSID80872323
inchikey: VQOXZBDYSJBXMA-NQTDYLQESA-N
norman_susdat_id: NS00073868
inchi:
InChI=1/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/s2

smiles:
C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O


name: Ticarcillin
cas: 34787-01-4
chebiid: CHEBI:9587
chemspiderid: 33876
dtxsid: DTXSID0023668
formula: C15H16N2O6S2
inchikey: OHKOGUYZJXTSFX-KZFFXBSXSA-N
norman_susdat_id: NS00006154
pubchem_cid: 36921
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1


cas: 34788-82-4
dtxsid: DTXSID10897307
formula: C42H42EuF21O6
inchikey: ODBVBAQADHJDQG-UHFFFAOYSA-N
norman_susdat_id: NS00109462
name:
Europium, tris[3-[2,2,3,3,4,4,4-heptafluoro-1-(oxo-βO)butyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-βO]-

inchi:
InChI=1S/3C14H14F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6H,4-5H2,1-3H3;/q3*-1;+3

smiles:
[Eu+3].CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F.CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F.CC1(C)C2CCC1(C)C(=O)[C-]2C(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Fedovapagon
cas: 347887-36-9
dtxsid: DTXSID40188331
formula: C27H34N4O3
inchikey: RUOLFWZIFNQQGH-DEOSSOPVSA-N
norman_susdat_id: NS00072275
pubchem_cid: 10298385
smiles: Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C
inchi:
InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1


name: 4-Benzyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
cas: 3479-47-8
chemspiderid: 43310
dtxsid: DTXSID60188333
formula: C19H19N1O6
inchikey: VUKCNAATVIWRTF-INIZCTEOSA-N
norman_susdat_id: NS00029731
pubchem_cid: 47602
smiles: OC(=O)C(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
inchi:
InChI=1S/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)/t16-/m0/s1


name: N-(1-naphthyl)-2-[(2-nitro-p-tolyl)azo]-3-oxo-3-phenylpropionamide
cas: 34791-88-3
formula: C26H21N4O4
inchikey: KOGUUPJGYUKDGX-UHFFFAOYSA-N
norman_susdat_id: NS00055138
pubchem_cid: 64869
smiles: O=C(NC1=CC=CC=2C=CC=CC21)C(N=NC3=CC=C(C=C3[N+](=O)[O-])C)C(=O)C=4C=CC=CC4
inchi:
InChI=1/C26H20N4O4/c1-17-14-15-22(23(16-17)30(33)34)28-29-24(25(31)19-9-3-2-4-10-19)26(32)27-21-13-7-11-18-8-5-6-12-20(18)21/h2-16,24H,1H3,(H,27,32)


name: Mezerein
cas: 34807-41-5
chemspiderid: 21242853
dtxsid: DTXSID3025673
formula: C38H38O10
inchikey: DLEDLHFNQDHEOJ-UDTOXTEMSA-N
norman_susdat_id: NS00094680
pubchem_cid: 24832075
inchi:
InChI=1S/C38H38O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-19,23,26,28,30-33,39,42-43H,1,20H2,2-4H3/b15-11+,18-12+/t23-,26-,28+,30-,31+,32-,33-,34+,35-,36+,37+,38-/m1/s1

smiles:
C[C@@H]1[C@@H](OC(=O)C=CC=CC2=CC=CC=C2)[C@@]2(O[C@]3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C1=CC=CC=C1)C(C)=C


name: BAY 57-1293
cas: 348086-71-5
dtxsid: DTXSID70188344
formula: C18H18N4O3S2
inchikey: IVZKZONQVYTCKC-UHFFFAOYSA-N
norman_susdat_id: NS00069662
smiles: Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O
inchi:
InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)


name: (20R)-18,20-epoxy-N,N-dimethyl-5a-pregnan-3ß-amine
cas: 3481-84-3
dtxsid: DTXSID50956285
formula: C23H39NO
inchikey: GLSMSQKWWVUERQ-SVSIOWIPSA-N
norman_susdat_id: NS00050162
pubchem_cid: 107395
smiles: O1CC23CCC4C(CCC5CC(N(C)C)CCC54C)C3CCC2C1C
inchi:
InChI=1/C23H39NO/c1-15-19-7-8-21-18-6-5-16-13-17(24(3)4)9-11-22(16,2)20(18)10-12-23(19,21)14-25-15/h15-21H,5-14H2,1-4H3


cas: 348137-34-8
dtxsid: DTXSID40882847
norman_susdat_id: NS00110308
name:
3-Cyclohexene-1-carboxylic acid, 6-[(di-2-propenylamino)carbonyl]-,(1R,6R)-rel-, reaction products with pentafluoroiodoethane tetrafluoroethylene telomer


name: N-methyl-N-[(3-octadecyl-2-oxo-4-oxazolidinyl)methyl]perfluorooctanesulfonamide
cas: 348144-85-4
dtxsid: DTXSID30893381
formula: C31H45F17N2O4S
inchikey: QWIXWKRIOHNTCX-UHFFFAOYSA-N
norman_susdat_id: NS00109995
inchi:
InChI=1/C31H45F17N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-22(21-54-23(50)51)20-49(2)55(52,53)31(47,48)29(42,43)27(38,39)25(34,35)24(32,33)26(36,37)28(40,41)30(44,45)46/h22H,3-21H2,1-2H3

smiles:
CCCCCCCCCCCCCCCCCCN1C(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COC1=O


name: 1,3,4,6-tetrakis-O-(1-oxooctadecyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetrastearate
cas: 34816-22-3
formula: C84H158O15
inchikey: MBZLXJUNVZMTEO-DZMASWEVSA-J
norman_susdat_id: NS00066749
pubchem_cid: NA
inchi:
InChI=1/C84H157O15.4C18H36O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(86)93-70-73-80(96-76(88)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)82(97-77(89)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)84(98-73,99-81-79(91)78(90)72(69-85)95-83(81)92)71-94-75(87)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h72-73,78-83,85,90-91H,5-71H2,1-4H3;4*2-17H2,1H3,(H,19,20)/q-1;;;;/p-4

smiles:
O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.O=C([O-])CCCCCCCCCCCCCCCCC.O=C(OCC1OC(OC2C([O-])OC(CO)C(O)C2O)(COC(=O)CCCCCCCCCCCCCCCCC)C(OC(=O)CCCCCCCCCCCCCCCCC)C1OC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


name: 1,3,4,6-tetrakis-O-(1-oxo-9-octadecenyl)-ß-D-fructofuranosyl-a-D-glucopyranoside tetraoleate
cas: 34816-23-4
formula: C84H150O15
inchikey: NXEFIGPTDAELMY-BJOILWEOSA-J
norman_susdat_id: NS00066754
pubchem_cid: NA
inchi:
InChI=1/C84H149O15.4C18H34O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(86)93-70-73-80(96-76(88)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)82(97-77(89)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)84(98-73,99-81-79(91)78(90)72(69-85)95-83(81)92)71-94-75(87)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2;4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h33-40,72-73,78-83,85,90-91H,5-32,41-71H2,1-4H3;4*9-10H,2-8,11-17H2,1H3,(H,19,20)/q-1;;;;/p-4

smiles:
O=C([O-])CCCCCCCC=CCCCCCCCC.O=C([O-])CCCCCCCC=CCCCCCCCC.O=C([O-])CCCCCCCC=CCCCCCCCC.O=C([O-])CCCCCCCC=CCCCCCCCC.O=C(OCC1OC(OC2C([O-])OC(CO)C(O)C2O)(COC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C1OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC


name: (S)-7-amino-6,7-dihydro-10-hydroxy-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one
cas: 3482-37-9
formula: C19H21NO5
inchikey: IRVWPZRYDQROLU-ZDUSSCGKSA-N
norman_susdat_id: NS00050163
pubchem_cid: NA
smiles: O=C1C=C2C(=CC=C1O)C3=C(OC)C(OC)=C(OC)C=C3CCC2N
inchi:
InChI=1/C19H21NO5/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22)


name: 2-(4-chlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide monohydrochloride
cas: 3482-74-4
formula: C14H21ClN2O2.ClH
inchikey: FIWBEGJXLDEFDE-UHFFFAOYSA-N
norman_susdat_id: NS00083685
smiles: Cl.CCN(CC)CCNC(=O)COc1ccc(Cl)cc1
inchi:
InChI=1/C14H21ClN2O2.ClH/c1-3-17(4-2)10-9-16-14(18)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3,(H,16,18);1H


name: Sodium 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 34824-60-7
dtxsid: DTXSID2067872
formula: C16H14N2O5S
inchikey: KYPYKYHHXCYBTQ-UHFFFAOYSA-M
norman_susdat_id: NS00055238
pubchem_cid: 118740
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NCC
inchi:
InChI=1/C16H14N2O5S.Na/c1-2-18-10-7-11(24(21,22)23)14(17)13-12(10)15(19)8-5-3-4-6-9(8)16(13)20;/h3-7,18H,2,17H2,1H3,(H,21,22,23);/q;+1/p-1


cas: 34828-19-8
formula: C28H33N6S
inchikey: FFWWZLMZVJVNLS-UHFFFAOYSA-M
norman_susdat_id: NS00056108
pubchem_cid: 11970478
name:
Benzyl[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-tolyl]amino]ethyl]dimethylammonium dihydrogen phosphate

inchi:
InChI=1/C28H33N6S.H3O4P.2H2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5(2,3)4;;/h6-17,20H,5,18-19,21H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3

smiles:
[H+].[H+].O=P([O-])([O-])[O-].N(=NC1=CC=C(C=C1C)N(CC)CC[N+](C)(C)CC=2C=CC=CC2)C3=NC(=NS3)C=4C=CC=CC4


name: Estradiol phosphate
cas: 34828-67-6
chemspiderid: 59808
dtxsid: DTXSID6045086
formula: C18H25O5P1
inchikey: BBWXLCKRYRQQPL-ZBRFXRBCSA-N
norman_susdat_id: NS00006150
pubchem_cid: 66435
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OP(O)(O)=O
inchi:
InChI=1S/C18H25O5P/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,17+,18+/m1/s1


name: Ethyl N-benzoyl-L-tyrosinate
cas: 3483-82-7
chebiid: CHEBI:91051
dtxsid: DTXSID60883977
formula: C18H19NO4
inchikey: SRLROPAFMUDDRC-INIZCTEOSA-N
norman_susdat_id: NS00049486
pubchem_cid: 77033
smiles: O=C(OCC)C(NC(=O)C=1C=CC=CC1)CC2=CC=C(O)C=C2
inchi:
InChI=1/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)


name: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-, 1,2-bis(2-ethylhexyl) ester
cas: 34832-88-7
chemspiderid: 105622
dtxsid: DTXSID40865736
formula: C24H34Cl4O4
inchikey: BELGUQVGZMFEAQ-UHFFFAOYSA-N
norman_susdat_id: NS00003653
pubchem_cid: 118190
smiles: CCCCC(CC)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H34Cl4O4/c1-5-9-11-15(7-3)13-31-23(29)17-18(20(26)22(28)21(27)19(17)25)24(30)32-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3


name: Streptothricin A
cas: 3484-67-1
chemspiderid: 16736180
formula: C49H94N18O13
inchikey: CTKOCMSLRIIOBG-HGOJTWKSSA-N
norman_susdat_id: NS00011853
pubchem_cid: 20055111
inchi:
InChI=1S/C49H94N18O13/c50-13-1-7-27(51)19-35(70)58-14-2-8-28(52)20-36(71)59-15-3-9-29(53)21-37(72)60-16-4-10-30(54)22-38(73)61-17-5-11-31(55)23-39(74)62-18-6-12-32(56)24-40(75)64-43-44(76)45(80-48(57)78)34(26-68)79-47(43)67-49-65-41-33(69)25-63-46(77)42(41)66-49/h27-34,41-45,47,68-69,76H,1-26,50-56H2,(H2,57,78)(H,58,70)(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,77)(H,64,75)(H2,65,66,67)/t27?,28?,29?,30?,31?,32?,33-,34-,41-,42+,43-,44+,45+,47-/m1/s1

smiles:
C1[C@H]([C@@H]2[C@@H](C(=O)N1)N/C(=N/[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCCN)N)N)N)N)N)N)/N2)O


name: Streptothricin B
cas: 3484-68-2
chemspiderid: 8504120
formula: C43H82N16O12
inchikey: SFBVRPSSMVXTDR-QAVMATMTSA-N
norman_susdat_id: NS00011848
pubchem_cid: 10328659
inchi:
InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(62)51-12-2-7-24(46)17-31(63)52-13-3-8-25(47)18-32(64)53-14-4-9-26(48)19-33(65)54-15-5-10-27(49)20-34(66)56-37-38(67)39(71-42(50)69)29(22-60)70-41(37)59-43-57-35-28(61)21-55-40(68)36(35)58-43/h23-29,35-39,41,60-61,67H,1-22,44-49H2,(H2,50,69)(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,68)(H,56,66)(H2,57,58,59)/t23?,24?,25?,26?,27?,28-,29-,35-,36+,37-,38+,39+,41-/m1/s1

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


name: Cyclacillin
cas: 3485-14-1
chemspiderid: 2646
dtxsid: DTXSID9022861
formula: C15H23N3O4S1
inchikey: HGBLNBBNRORJKI-UHFFFAOYSA-N
norman_susdat_id: NS00002842
pubchem_cid: 2748
smiles: CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O
inchi:
InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)


name: Clidinium bromide
cas: 3485-62-9
formula: C22H26NO3.Br
inchikey: GKEGFOKQMZHVOW-UHFFFAOYSA-M
norman_susdat_id: NS00083708
smiles: [Br-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1


name: Sodium (±)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate
cas: 34850-66-3
formula: C10H16O4S.Na
inchikey: AWMAOFAHBPCBHJ-UHFFFAOYSA-M
norman_susdat_id: NS00088187
smiles: CC1(C)C2CCC1(CS(=O)(=O)O[Na])C(=O)C2
inchi:
InChI=1/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1/rC10H15NaO4S/c1-9(2)7-3-4-10(9,8(12)5-7)6-16(13,14)15-11/h7H,3-6H2,1-2H3


name: [bis[4-(dimethylamino)phenyl]methylene]butylurea
cas: 34851-48-4
dtxsid: DTXSID90885601
formula: C22H30N4O
inchikey: FPYWTNQYNNPEIR-UHFFFAOYSA-N
norman_susdat_id: NS00055240
pubchem_cid: 118741
smiles: O=C(N=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)NCCCC
inchi:
InChI=1/C22H30N4O/c1-6-7-16-23-22(27)24-21(17-8-12-19(13-9-17)25(2)3)18-10-14-20(15-11-18)26(4)5/h8-15H,6-7,16H2,1-5H3,(H,23,27)


name: Sodium 4-[(4-butylphenyl)azo]-3-hydroxy-2-naphthoate
cas: 34851-65-5
formula: C21H20N2O3
inchikey: ARVUFEWGKOWABB-UHFFFAOYSA-M
norman_susdat_id: NS00056109
pubchem_cid: NA
smiles: [Na+].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC=C(C=C3)CCCC)=C1O
inchi:
InChI=1/C21H20N2O3.Na/c1-2-3-6-14-9-11-16(12-10-14)22-23-19-17-8-5-4-7-15(17)13-18(20(19)24)21(25)26;/h4-5,7-13,24H,2-3,6H2,1H3,(H,25,26);/q;+1/p-1


name: CI 42080
cas: 3486-30-4
chemspiderid: 95281
formula: C37H38N2O6S2
inchikey: VMXLVYWJPWIZHK-UHFFFAOYSA-N
norman_susdat_id: NS00013502
pubchem_cid: 105715
inchi:
InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1

smiles:
[Na+].CCN(Cc1ccccc1)c2ccc(cc2)[C+](c3ccc(cc3)N(CC)Cc4ccccc4)c5ccc(cc5[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: Coptisine
cas: 3486-66-6
chebiid: CHEBI:67862
chemspiderid: 65268
dtxsid: DTXSID10188404
formula: C19H14NO4
inchikey: XYHOBCMEDLZUMP-UHFFFAOYSA-N
norman_susdat_id: NS00094622
pubchem_cid: 72322
smiles: C1OC2=C(O1)C=C1C(CC[N+]3=C1C=C1C=CC4=C(OCO4)C1=C3)=C2
inchi:
InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1


name: Palmatine
cas: 3486-67-7
chebiid: CHEBI:16096
chemspiderid: 17947
dtxsid: DTXSID9048065
formula: C21H22NO4
inchikey: QUCQEUCGKKTEBI-UHFFFAOYSA-N
norman_susdat_id: NS00094853
pubchem_cid: 19009
smiles: COC1=CC2=C(C=C1OC)C1=[N+](CC2)C=C2C(OC)=C(OC)C=CC2=C1
inchi:
InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1


name: Amisulbrom
cas: 348635-87-0
chebiid: CHEBI:81846
chemspiderid: 8414145
dtxsid: DTXSID0058063
formula: C13H13Br1F1N5O4S2
inchikey: BREATYVWRHIPIY-UHFFFAOYSA-N
norman_susdat_id: NS00001106
pubchem_cid: 10238657
smiles: CN(C)S(=O)(=O)n1cnc(n1)S(=O)(=O)n1c(C)c(Br)c2ccc(F)cc12
inchi:
InChI=1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3


name: [5-[2-[(tert-butyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]uronium chloride
cas: 34866-46-1
formula: C13H21N3O3.ClH
inchikey: QHWYYBXPBFQGNI-UHFFFAOYSA-N
norman_susdat_id: NS00087789
smiles: [Cl-].CC(C)(C)NCC(O)c1ccc(O)c(c1)[NH+]=C(N)O
inchi:
InChI=1/C13H21N3O3.ClH/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19;/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19);1H


name: Carbuterol
cas: 34866-47-2
chebiid: CHEBI:135100
chemspiderid: 33928
formula: C13H21N3O3
inchikey: KEMXXQOFIRIICG-UHFFFAOYSA-N
norman_susdat_id: NS00009938
pubchem_cid: 36976
smiles: CC(C)(C)NCC(O)c1ccc(O)c(NC(N)=O)c1
inchi:
InChI=1S/C13H21N3O3/c1-13(2,3)15-7-11(18)8-4-5-10(17)9(6-8)16-12(14)19/h4-6,11,15,17-18H,7H2,1-3H3,(H3,14,16,19)


name: Decyl octyl hydrogen benzene-1,2,4-tricarboxylate
cas: 34870-88-7
dtxsid: DTXSID50885602
formula: C27H42O6
inchikey: DBHLGETWEBINBX-UHFFFAOYSA-N
norman_susdat_id: NS00055268
pubchem_cid: 21119788
smiles: O=C(O)C1=CC=C(C(=O)OCCCCCCCCCC)C(=C1)C(=O)OCCCCCCCC
inchi:
InChI=1/C27H42O6/c1-3-5-7-9-11-12-14-16-19-32-26(30)23-18-17-22(25(28)29)21-24(23)27(31)33-20-15-13-10-8-6-4-2/h17-18,21H,3-16,19-20H2,1-2H3,(H,28,29)


name: 5-chloro-N-(2-chloro-4-nitrophenyl)salicylamide, compound with piperazine
cas: 34892-17-6
formula: C13H8Cl2N2O4.xC4H10N2
inchikey: IAIUNINVFIUGNZ-UHFFFAOYSA-N
norman_susdat_id: NS00088205
smiles: Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].C3CNCCN3
inchi:
InChI=1/C13H8Cl2N2O4.C4H10N2/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h1-6,18H,(H,16,19);5-6H,1-4H2


name: Phenyl di(p-tolyl) phosphate
cas: 34909-69-8
chemspiderid: 548716
dtxsid: DTXSID10188464
formula: C20H19O4P1
inchikey: NVMHZSCMWYZDCC-UHFFFAOYSA-N
norman_susdat_id: NS00029748
pubchem_cid: 631942
smiles: Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccc(C)cc2)cc1
inchi:
InChI=1S/C20H19O4P/c1-16-8-12-19(13-9-16)23-25(21,22-18-6-4-3-5-7-18)24-20-14-10-17(2)11-15-20/h3-15H,1-2H3


cas: 34912-23-7
dtxsid: DTXSID70956383
formula: C29H31N2O
inchikey: XZZUWCWBEPOMAE-UHFFFAOYSA-M
norman_susdat_id: NS00056163
pubchem_cid: NA
smiles: [Cl-].O(C=1C=CC2=C(C1)C(C(C=CN3C=4C=CC=CC4CC3C)=[N+]2C)(C)C)CC=5C=CC=CC5
name:
2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium chloride

inchi:
InChI=1/C29H31N2O.ClH/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;/h5-17,19,21H,18,20H2,1-4H3;1H/q+1;/p-1


name: Perfluorooctanedioic diamide
cas: 3492-23-7
chemspiderid: NA
dtxsid: DTXSID70880194
formula: C8H4F12N2O2
inchikey: SYUPSOPAIUOEGW-UHFFFAOYSA-N
norman_susdat_id: NS00018966
pubchem_cid: 4383856
smiles: NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(N)=O
inchi:
InChI=1S/C8H4F12N2O2/c9-3(10,1(21)23)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(22)24/h(H2,21,23)(H2,22,24)


name: N-(2,3-dihydro-3-oxo-1H-indazol-6-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine
cas: 34922-45-7
dtxsid: DTXSID80188476
formula: C33H54N4O5
inchikey: POCYRCHYIYFFIA-LJAQVGFWSA-N
norman_susdat_id: NS00055288
pubchem_cid: 56842297
smiles: O=C1NNC2=CC(=CC=C12)NC(=O)CC(C(=O)O)N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(32(40)25(2)3)29(33(41)42)24-30(38)34-26-20-21-27-28(23-26)35-36-31(27)39/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,38)(H,41,42)(H2,35,36,39)


name: 2,7-Bis(1-oxo-4-(1-piperidyl)butyl)-9H-fluoren-9-one
cas: 34924-25-9
chemspiderid: 130142
dtxsid: DTXSID40188477
formula: C31H38N2O3
inchikey: ZNDNZBVYMDSTJN-UHFFFAOYSA-N
norman_susdat_id: NS00029750
pubchem_cid: 147584
smiles: O=C(CCCN1CCCCC1)c1cc2c(cc1)c1c(cc(cc1)C(=O)CCCN1CCCCC1)C2=O
inchi:
InChI=1S/C31H38N2O3/c34-29(9-7-19-32-15-3-1-4-16-32)23-11-13-25-26-14-12-24(22-28(26)31(36)27(25)21-23)30(35)10-8-20-33-17-5-2-6-18-33/h11-14,21-22H,1-10,15-20H2


name: Rmi 10233
cas: 34927-63-4
chemspiderid: 140839
dtxsid: DTXSID50188483
formula: C31H40N2O2
inchikey: KQKCWHPANDHXPN-UHFFFAOYSA-N
norman_susdat_id: NS00029753
pubchem_cid: 160241
smiles: [Cl-].[Cl-].O=C(CCCN1CCCCC1)c1cc2c(cc1)c1c(C2)cc(cc1)C(=O)CCCN1CCCCC1.[H+].[H+]
inchi:
InChI=1S/C31H40N2O2/c34-30(9-7-19-32-15-3-1-4-16-32)24-11-13-28-26(21-24)23-27-22-25(12-14-29(27)28)31(35)10-8-20-33-17-5-2-6-18-33/h11-14,21-22H,1-10,15-20,23H2


name: Deoxyguanosine diphosphate (dGDP)
cas: 3493-09-2
chebiid: CHEBI:28862
chemspiderid: NA
formula: C10H15N5O10P2
inchikey: CIKGWCTVFSRMJU-KVQBGUIXSA-N
norman_susdat_id: NS00015101
pubchem_cid: 439220
smiles: C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)O)O
inchi:
InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1


name: Diltiazem
cas: 34933-06-7
chebiid: CHEBI:82814
chemspiderid: 2967
dtxsid: DTXSID50881104
formula: C22H26N2O4S1
inchikey: HSUGRBWQSSZJOP-UHFFFAOYSA-N
norman_susdat_id: NS00000473
pubchem_cid: 3076
smiles: CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
inchi:
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3


name: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium
cas: 34935-38-1
formula: C24H27N2O3S3
inchikey: HHGWLRNRKVHQRS-UHFFFAOYSA-N
norman_susdat_id: NS00054823
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CC[N+]1=C(SC=2C=CC=CC21)C=C(C=C3SC=4C=CC=CC4N3CC)C
inchi:
InChI=1/C24H26N2O3S3/c1-4-25-19-9-5-7-11-21(19)30-23(25)15-17(2)16-24-26(14-13-18(3)32(27,28)29)20-10-6-8-12-22(20)31-24/h5-12,15-16,18H,4,13-14H2,1-3H3


name: N-[3-(trimethoxysilyl)propyl]-N'-(vinylbenzyl)ethylenediamine monohydrochloride
cas: 34937-00-3
dtxsid: DTXSID7067879
formula: C17H30N2O3Si
inchikey: MYWJOHLSXLTXCV-UHFFFAOYSA-N
norman_susdat_id: NS00054824
pubchem_cid: 169649
smiles: Cl.O(C)[Si](OC)(OC)CCCNCCNCC=1C=CC=CC1C=C
inchi:
InChI=1/C17H30N2O3Si.ClH/c1-5-16-9-6-7-10-17(16)15-19-13-12-18-11-8-14-23(20-2,21-3)22-4;/h5-7,9-10,18-19H,1,8,11-15H2,2-4H3;1H


name: 11-ß,21-dihydroxypregna-4,17(20)-dien-3-one
cas: 3494-53-9
formula: C21H30O3
inchikey: SBMHTRUNPKWTLU-QMERZLORSA-N
norman_susdat_id: NS00048935
pubchem_cid: 6504510
smiles: O=C1C=C2CCC3C4CCC(=CCO)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3


name: Azaspirium chloride
cas: 34959-30-3
formula: C22H24NO5.Cl
inchikey: PYNSMGBGABAWPB-UHFFFAOYSA-M
norman_susdat_id: NS00087802
smiles: [Cl-].COc1c2OC3=C(C[N+]4(CCCCC4)CC3=C)C(=O)c2c(OC)c5ccoc15
inchi:
InChI=1/C22H24NO5.ClH/c1-13-11-23(8-5-4-6-9-23)12-15-17(24)16-19(25-2)14-7-10-27-20(14)22(26-3)21(16)28-18(13)15;/h7,10H,1,4-6,8-9,11-12H2,2-3H3;1H/q+1;/p-1


name: Benzyl (S)-[1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-2-methylpropyl]carbamate
cas: 3496-11-5
dtxsid: DTXSID50188504
formula: C17H20N2O6
inchikey: MFAOBGXYLNLLJE-HNNXBMFYSA-N
norman_susdat_id: NS00049504
pubchem_cid: 853556
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)ON2C(=O)CCC2=O)C(C)C
inchi:
InChI=1/C17H20N2O6/c1-11(2)15(16(22)25-19-13(20)8-9-14(19)21)18-17(23)24-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,23)


cas: 349660-50-0
dtxsid: DTXSID40882928
norman_susdat_id: NS00110316
name:
Methanol, reaction products fluorinated 2,2,3,3-tetrafluorooxetane homopolymer-iodine reaction products-trichloroethenylsilane polymer


name: Luprolite acetate
cas: 34973-08-5
chemspiderid: 10153270
dtxsid: DTXSID10188520
formula: C55H75N17O13
inchikey: NGCGMRBZPXEPOZ-HBBGHHHDSA-N
norman_susdat_id: NS00022081
pubchem_cid: 11980076
inchi:
InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38+,39-,40-,41+,42-,43-/m1/s1

smiles:
CC(O)=O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O


cas: 34985-87-0
formula: C16H13ClN2O.C2H3Cl3O2
inchikey: SDWAACKJISOIGZ-UHFFFAOYSA-N
norman_susdat_id: NS00087544
smiles: CN1C(=O)CN=C(c2ccccc2)c3cc(Cl)ccc13.OC(O)C(Cl)(Cl)Cl
name:
7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one, compound with 2,2,2-trichloroethane-1,1-diol (1:1)

inchi:
InChI=1/C16H13ClN2O.C2H3Cl3O2/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-9H,10H2,1H3;1,6-7H


name: (2-tert-Butoxy-2-oxoethyl)(triphenyl)phosphanium chloride
cas: 35000-37-4
chemspiderid: 1267623
dtxsid: DTXSID70583436
formula: C24H26O2P1
inchikey: PWEGQXPODNSKMU-UHFFFAOYSA-M
norman_susdat_id: NS00020799
pubchem_cid: 16211488
smiles: [Cl-].CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H26O2P/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/q+1


name: Ethanediamide, N-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-N'-[4-(1,1-dimethylethyl)-2-ethylphenyl]-
cas: 35001-51-5
chemspiderid: 106127
dtxsid: DTXSID6067880
formula: C26H36N2O3
inchikey: HMYBQGXAGRYFPW-UHFFFAOYSA-N
norman_susdat_id: NS00029758
pubchem_cid: 118760
smiles: CCOc1c(NC(=O)C(=O)Nc2ccc(cc2CC)C(C)(C)C)cc(cc1)C(C)(C)C
inchi:
InChI=1S/C26H36N2O3/c1-9-17-15-18(25(3,4)5)11-13-20(17)27-23(29)24(30)28-21-16-19(26(6,7)8)12-14-22(21)31-10-2/h11-16H,9-10H2,1-8H3,(H,27,29)(H,28,30)


name: Ethanediamide, N-[5-(1,1-dimethylethyl)-2-ethoxyphenyl]-N'-(2-ethylphenyl)-
cas: 35001-52-6
chemspiderid: 106128
dtxsid: DTXSID1067881
formula: C22H28N2O3
inchikey: ZBNMOUGFCKAGGQ-UHFFFAOYSA-N
norman_susdat_id: NS00029759
pubchem_cid: 118761
smiles: CCOc1c(NC(=O)C(=O)Nc2c(CC)cccc2)cc(cc1)C(C)(C)C
inchi:
InChI=1S/C22H28N2O3/c1-6-15-10-8-9-11-17(15)23-20(25)21(26)24-18-14-16(22(3,4)5)12-13-19(18)27-7-2/h8-14H,6-7H2,1-5H3,(H,23,25)(H,24,26)


name: (+)-Biotin N-hydroxysuccinimide ester
cas: 35013-72-0
chemspiderid: 5142865
formula: C14H19N3O5S1
inchikey: YMXHPSHLTSZXKH-RVBZMBCESA-N
norman_susdat_id: NS00015119
pubchem_cid: 6710714
smiles: O=C(ON1C(=O)CCC1=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=N2)O
inchi:
InChI=1S/C14H19N3O5S/c18-10-5-6-11(19)17(10)22-12(20)4-2-1-3-9-13-8(7-23-9)15-14(21)16-13/h8-9,13H,1-7H2,(H2,15,16,21)/t8-,9-,13-/m0/s1


name: Bis(2-fluoro-2,2-dinitroethyl) adipate
cas: 35027-66-8
chemspiderid: 2283806
dtxsid: DTXSID10188545
formula: C10H12F2N4O12
inchikey: KYXDFXJLIZHHHK-UHFFFAOYSA-N
norman_susdat_id: NS00029761
pubchem_cid: 3015727
smiles: [O-][N+](=O)C(F)(COC(=O)CCCCC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C10H12F2N4O12/c11-9(13(19)20,14(21)22)5-27-7(17)3-1-2-4-8(18)28-6-10(12,15(23)24)16(25)26/h1-6H2


name: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate
cas: 35033-71-7
formula: C28H27N2.H2O4P
inchikey: BXIKJMCXJDQWKI-UHFFFAOYSA-K
norman_susdat_id: NS00087765
smiles: C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C28H27N2.H3O4P/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;1-5(2,3)4/h5-19H,1-4H3;(H3,1,2,3,4)/q+1;/p-3


cas: 35038-32-5
formula: C37H40N4O6
inchikey: AADKPQMVCNQJCT-RDPSFJRHSA-N
norman_susdat_id: NS00056225
pubchem_cid: NA
smiles: O=C(OC)C=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C2CC(=O)OC)C(CCC(=O)OC)C5C)C(=C4C=C)C)C(=C3CC)C)C1C
name:
Methyl (2S-trans)-13-ethyl-2,3-dihydro-18-(methoxycarbonyl)-20-(2-methoxy-2-oxoethyl)-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C37H40N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10,15-17,20,24H,1,11-14H2,2-9H3


name: Sodium hydrogen (4-methylsulphonatophenoxy)acetate
cas: 35038-81-4
dtxsid: DTXSID90956466
formula: C9H10O6S
inchikey: RJTAXJXQJCDFOY-UHFFFAOYSA-L
norman_susdat_id: NS00055334
pubchem_cid: 169656
smiles: [Na+].O=C([O-])COC1=CC=C(C=C1S(=O)(=O)[O-])C
inchi:
InChI=1/C9H10O6S.Na/c1-6-2-3-7(15-5-9(10)11)8(4-6)16(12,13)14;/h2-4H,5H2,1H3,(H,10,11)(H,12,13,14);/q;+1/p-2


name: Carbinoxamine hydrogen maleate
cas: 3505-38-2
formula: C16H19ClN2O.C4H4O4
inchikey: GVNWHCVWDRNXAZ-UHFFFAOYSA-N
norman_susdat_id: NS00084041
smiles: OC(=O)C=CC(O)=O.Clc1ccc(cc1)C(OCCN(C)C)c2ccccn2
inchi:
InChI=1/C16H19ClN2O.C4H4O4/c1-19(2)11-12-20-16(15-5-3-4-10-18-15)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-10,16H,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: C17 Alcohol, predominately linear, 5 EO
cas: 35056-96-3
chemspiderid: 57509516
dtxsid: DTXSID90784706
formula: C27H56O6
inchikey: IZOWNRUGDRFOQM-UHFFFAOYSA-N
norman_susdat_id: NS00095671
pubchem_cid: 71360945
smiles: OCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C27H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20-22-31-24-26-33-27-25-32-23-21-30-19-17-28/h28H,2-27H2,1H3


name: (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)phosphonic acid diethyl ester
cas: 350608-55-8
dtxsid: DTXSID30454097
formula: C12H14F13O3P
inchikey: YPQKUXRTMVAZPK-UHFFFAOYSA-N
norman_susdat_id: NS00109872
smiles: CCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
inchi:
InChI=1S/C12H14F13O3P/c1-3-27-29(26,28-4-2)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-6H2,1-2H3


name: (6E)-8,8,9,9,10,10,11,11,12,12,13,13,13-Tridecafluorotridec-6-ene
cas: 350608-60-5
dtxsid: DTXSID60895373
formula: C13H13F13
inchikey: CYIMORLVMXKPBZ-VOTSOKGWSA-N
norman_susdat_id: NS00111036
smiles: CCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H13F13/c1-2-3-4-5-6-7-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H,2-5H2,1H3/b7-6+


name: (6E)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-Heptadecafluoropentadec-6-ene
cas: 350608-65-0
dtxsid: DTXSID70895465
formula: C15H13F17
inchikey: ZTVGSHHXGFOBPF-VOTSOKGWSA-N
norman_susdat_id: NS00111407
smiles: CCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H13F17/c1-2-3-4-5-6-7-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7H,2-5H2,1H3/b7-6+


name: Chitodextrin
cas: 35061-50-8
chebiid: CHEBI:50670
formula: C16H28N2O11
inchikey: CDOJPCSDOXYJJF-KSKNGZLJSA-N
norman_susdat_id: NS00069760
pubchem_cid: 439326
smiles: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+/m1/s1


cas: 350672-19-4
dtxsid: DTXSID50882858
norman_susdat_id: NS00110651
name:
2-Propenoic acid, polymer with butyl-2-propenoate, 2-propenoic acid, 2-hydroxyethyl ester and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-2-propenoate


cas: 350672-20-7
dtxsid: DTXSID40882766
norman_susdat_id: NS00110301
name:
2-Propenoic acid, polymer with butyl-2-propenoate, 2-hydroxyethyl 2-propenoate and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-2-propenoate, compd. with 2-(dimethylamino)ethanol


name: Silver(1+) stearate
cas: 3507-99-1
formula: C18H36O2.Ag
inchikey: ORYURPRSXLUCSS-UHFFFAOYSA-M
norman_susdat_id: NS00083709
smiles: [Ag+].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Ag/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/p-1


name: (2-Perfluorooctylethyl)isopropoxycarbonyloxyiminophenylacetonitrile
cas: 350716-42-6
chemspiderid: 10140829
dtxsid: DTXSID00698325
formula: C22H15F17N2O3
inchikey: NFEFLNJWJYPWIZ-UHFFFAOYSA-N
norman_susdat_id: NS00018967
pubchem_cid: 53423440
smiles: CC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)ON=C(C#N)C1=CC=CC=C1
inchi:
InChI=1S/C22H15F17N2O3/c1-14(2,43-13(42)44-41-12(10-40)11-6-4-3-5-7-11)8-9-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h3-7H,8-9H2,1-2H3/b41-12-


cas: 35074-30-7
dtxsid: DTXSID20884809
formula: C19H23BrN6O8
inchikey: CNSSFLHYPQHHJJ-UHFFFAOYSA-N
norman_susdat_id: NS00055336
pubchem_cid: 118211
smiles: O=C(NC=1C=C(NCC(O)COC)C(OC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
name:
N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl]acetamide

inchi:
InChI=1/C19H21BrN6O8/c1-10(27)22-14-6-16(21-8-12(28)9-33-2)18(34-3)7-15(14)23-24-19-13(20)4-11(25(29)30)5-17(19)26(31)32/h4-7,12,21,28H,8-9H2,1-3H3,(H,22,27)


name: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester
cas: 35074-77-2
chemspiderid: 58400
dtxsid: DTXSID0027985
formula: C40H62O6
inchikey: ZVVFVKJZNVSANF-UHFFFAOYSA-N
norman_susdat_id: NS00005761
pubchem_cid: 64870
smiles: CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3


name: 4-[(4-aminophenyl)butylamino]butane-1-sulphonic acid
cas: 35079-64-2
dtxsid: DTXSID30884810
formula: C14H24N2O3S
inchikey: CSGNEKGWOJHKOI-UHFFFAOYSA-N
norman_susdat_id: NS00055337
pubchem_cid: NA
smiles: O=S(=O)(O)CCCCN(C1=CC=C(N)C=C1)CCCC
inchi:
InChI=1/C14H24N2O3S/c1-2-3-10-16(11-4-5-12-20(17,18)19)14-8-6-13(15)7-9-14/h6-9H,2-5,10-12,15H2,1H3,(H,17,18,19)


name: 10,11-Dihydro-10,11-dihydroxycarbamazepine
cas: 35079-97-1
chebiid: CHEBI:4592
dtxsid: DTXSID30891504
inchikey: PRGQOPPDPVELEG-UHFFFAOYSA-N
norman_susdat_id: NS00073850
smiles: NC(=O)N1C2=CC=CC=C2C(O)C(O)C2=C1C=CC=C2
inchi:
InChI=1/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)


name: Prajmalium
cas: 35080-11-6
chemspiderid: 4325451
dtxsid: DTXSID6023494
formula: C23H33N2O2
inchikey: UAUHEPXILIZYCU-UHFFFAOYSA-N
norman_susdat_id: NS00009460
pubchem_cid: 5152290
smiles: CCC[N+]12C3CC45C(O)C3C(CC1C4N(C)c1ccccc51)C(CC)C2O
inchi:
InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1


name: N,N'-Dioctadecylsebacamide
cas: 35081-84-6
chemspiderid: 2283810
dtxsid: DTXSID70188581
formula: C46H92N2O2
inchikey: YORJEABCJCAFPB-UHFFFAOYSA-N
norman_susdat_id: NS00020510
pubchem_cid: 3015733
smiles: CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C46H92N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-39-43-47-45(49)41-37-33-29-30-34-38-42-46(50)48-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3,(H,47,49)(H,48,50)


name: Cercosporin
cas: 35082-49-6
chemspiderid: 10188562
dtxsid: DTXSID40891853
formula: C29H26O10
inchikey: MXLWQNCWIIZUQT-GHMZBOCLSA-N
norman_susdat_id: NS00094910
pubchem_cid: 91617
smiles: C[C@H](CC1=C(C(=C2C(=O)C=C3C4=C5C(=CC(=O)C6=C(C(=C(C(=C56)C1=C42)C[C@@H](C)O)OC)O)OCO3)O)OC)O
inchi:
InChI=1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11-/m1/s1


cas: 35097-52-0
formula: C9H14N4O4
norman_susdat_id: NS00101623
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[6-[(5-carboxypentyl)amino]-1,3,5-triazine-2,4-diyl]bis[.omega.-hydroxy-


name: 1-(hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate]
cas: 35098-84-1
dtxsid: DTXSID40956532
formula: C39H64O5
inchikey: RAPBJBKXYYMYAY-YTWBPVBXSA-N
norman_susdat_id: NS00054909
pubchem_cid: 14275413
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3


name: Bifeprunox
cas: 350992-10-8
dtxsid: DTXSID80188592
formula: C24H23N3O2
inchikey: CYGODHVAJQTCBG-UHFFFAOYSA-N
norman_susdat_id: NS00072630
pubchem_cid: 208951
smiles: O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1
inchi:
InChI=1S/C24H23N3O2/c28-24-25-21-10-5-11-22(23(21)29-24)27-14-12-26(13-15-27)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-11,16H,12-15,17H2,(H,25,28)


name: Endrisone
cas: 35100-44-8
formula: C22H30O3
inchikey: VDNZZIYSCXESNI-ILSZZQPISA-N
norman_susdat_id: NS00056266
pubchem_cid: 71422
smiles: O=C1C=CC2(C(=C1)C(C)CC3C4CCC(C(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C22H30O3/c1-12-9-15-17-6-5-16(13(2)23)22(17,4)11-19(25)20(15)21(3)8-7-14(24)10-18(12)21/h7-8,10,12,15-17,19-20,25H,5-6,9,11H2,1-4H3


name: Disodium 4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulphonate
cas: 351-03-2
formula: C14H10N2O10S2.2Na
inchikey: WSALIDVQXCHFEG-UHFFFAOYSA-L
norman_susdat_id: NS00083260
smiles: [Na+].[Na+].[O-]S(=O)(=O)c3cc(N)c2c(C(=O)c1c(N)cc(c(O)c1C2=O)S([O-])(=O)=O)c3O
inchi:
InChI=1/C14H10N2O10S2.2Na/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)10-8(14(9)20)4(16)2-6(12(10)18)28(24,25)26;;/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Tin dipalmitate
cas: 35104-88-2
formula: C16H32O2.1/2Sn
inchikey: LQAFUZGORQPYKQ-UHFFFAOYSA-L
norman_susdat_id: NS00087796
smiles: [Sn+4].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+4/p-2


name: tert-butyl[2-hydroxy-3-[2-[(tetrahydro-2-furyl)methoxy]phenoxy]propyl]ammonium chloride
cas: 35108-88-4
chebiid: CHEBI:31316
dtxsid: DTXSID30956546
formula: C18H29NO4
inchikey: DTAWWMIEZBHDDH-UHFFFAOYSA-N
norman_susdat_id: NS00054927
pubchem_cid: 2465
smiles: [Cl-].OC(COC=1C=CC=CC1OCC2OCCC2)C[NH2+]C(C)(C)C
inchi:
InChI=1/C18H29NO4.ClH/c1-18(2,3)19-11-14(20)12-22-16-8-4-5-9-17(16)23-13-15-7-6-10-21-15;/h4-5,8-9,14-15,19-20H,6-7,10-13H2,1-3H3;1H


name: Adynerin
cas: 35109-93-4
chebiid: CHEBI:2497
chemspiderid: 441840
formula: C30H44O7
inchikey: BYZQVAOKDQTHHP-QFUJVLJYSA-N
norman_susdat_id: NS00093818
pubchem_cid: 390417
smiles:
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O


name: Hetacillin
cas: 3511-16-8
chemspiderid: 167708
dtxsid: DTXSID4023121
formula: C19H23N3O4S1
inchikey: DXVUYOAEDJXBPY-XQERAMJGSA-N
norman_susdat_id: NS00011627
pubchem_cid: 193260
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N3C(=O)C(NC3(C)C)c4ccccc4)C(=O)O)C
inchi:
InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11?,12-,13+,16-/m1/s1


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium chloride
cas: 35114-09-1
dtxsid: DTXSID80956551
formula: C28H27N2O
inchikey: OOELBMRYMYQYGO-UHFFFAOYSA-N
norman_susdat_id: NS00054928
pubchem_cid: 21124031
smiles: [Cl-].O(C1=CC=C(C=C1)CNC=2C=CC(=CC2)C=3C4=CC=CC=5C=CC=C(C54)[N+]3CC)CC
inchi:
InChI=1/C28H26N2O.ClH/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;/h5-18H,3-4,19H2,1-2H3;1H


cas: 351197-46-1
chemspiderid: NA
dtxsid: DTXSID60698427
formula: C24H48N4O6
inchikey: ALANNFAXTFZBEG-UHFFFAOYSA-N
norman_susdat_id: NS00003608
pubchem_cid: 53424022
smiles: CN(C)CCOCCOC(=O)NCC1(C)CC(CC(C)(C)C1)NC(=O)OCCOCCN(C)C
name:
2-[2-(Dimethylamino)ethoxy]ethyl ({5-[({2-[2-(dimethylamino)ethoxy]ethoxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate

inchi:
InChI=1S/C24H48N4O6/c1-23(2)16-20(26-22(30)34-15-13-32-11-9-28(6)7)17-24(3,18-23)19-25-21(29)33-14-12-31-10-8-27(4)5/h20H,8-19H2,1-7H3,(H,25,29)(H,26,30)


name: Epoprostenol
cas: 35121-78-9
chemspiderid: 28589780
dtxsid: DTXSID5022988
formula: C20H32O5
inchikey: KAQKFAOMNZTLHT-FHZLGBCPSA-N
norman_susdat_id: NS00007986
pubchem_cid: 5462154
smiles: CCCCCC(O)C=CC1C(O)CC2OC(CC12)=C/CCCC(O)=O
inchi:
InChI=1S/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)/b11-10+,15-8-


name: Dichlorobis[1-(ethoxycarbonyl)-2-oxopropyl]titanium
cas: 35125-09-8
formula: C12H18Cl2O6Ti
inchikey: CPLIUSNXWTZBLG-UHFFFAOYSA-L
norman_susdat_id: NS00087847
smiles: CCOC(=O)C(C(=O)C)[Ti](Cl)(Cl)C(C(=O)C)C(=O)OCC
inchi:
InChI=1/2C6H9O3.2ClH.Ti/c2*1-3-9-6(8)4-5(2)7;;;/h2*4H,3H2,1-2H3;2*1H;/q;;;;+2/p-2/rC12H18Cl2O6Ti/c1-5-19-11(17)9(7(3)15)21(13,14)10(8(4)16)12(18)20-6-2/h9-10H,5-6H2,1-4H3


name: 1-[4-(phenylmethoxy)phenyl]-2-[4-(phenylmethyl)piperidino]propan-1-one
cas: 35133-39-2
dtxsid: DTXSID40956577
formula: C28H31NO2
inchikey: JKJGWNLFPHYECD-UHFFFAOYSA-N
norman_susdat_id: NS00054929
pubchem_cid: 3015740
smiles: O=C(C1=CC=C(OCC=2C=CC=CC2)C=C1)C(N3CCC(CC=4C=CC=CC4)CC3)C
inchi:
InChI=1/C28H31NO2/c1-22(29-18-16-24(17-19-29)20-23-8-4-2-5-9-23)28(30)26-12-14-27(15-13-26)31-21-25-10-6-3-7-11-25/h2-15,22,24H,16-21H2,1H3


name: 6-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]-3-(heptafluoropropyl)[1,2,4]triazolo[4,3-b]pyridazine
cas: 351346-36-6
dtxsid: DTXSID00896283
formula: C14H9F7N6S
inchikey: FVSATDQRASQLEK-UHFFFAOYSA-N
norman_susdat_id: NS00109043
smiles: Cc1cc(C)nc(Sc2ccc3nnc(n3n2)C(F)(F)C(F)(F)C(F)(F)F)n1
inchi:
InChI=1S/C14H9F7N6S/c1-6-5-7(2)23-11(22-6)28-9-4-3-8-24-25-10(27(8)26-9)12(15,16)13(17,18)14(19,20)21/h3-5H,1-2H3


name: Benafentrine
cas: 35135-01-4
chemspiderid: 2341641
dtxsid: DTXSID00188630
formula: C23H27N3O3
inchikey: DCDXHGMCXGHXBM-PMACEKPBSA-N
norman_susdat_id: NS00010472
pubchem_cid: 3084603
smiles: CC(=O)Nc1ccc(cc1)C2=N[C@H]3CCN(C[C@H]3c4c2cc(c(c4)OC)OC)C
inchi:
InChI=1S/C23H27N3O3/c1-14(27)24-16-7-5-15(6-8-16)23-18-12-22(29-4)21(28-3)11-17(18)19-13-26(2)10-9-20(19)25-23/h5-8,11-12,19-20H,9-10,13H2,1-4H3,(H,24,27)/t19-,20-/m0/s1


name: 2'-(3-cyclohexen-1-yl)spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]
cas: 3514-08-7
dtxsid: DTXSID30956586
formula: C16H22O2
inchikey: QOGIYRYXUVTOQX-UHFFFAOYSA-N
norman_susdat_id: NS00048938
pubchem_cid: 107116
smiles: O1CC2(COC1C3CC=CCC3)CC4C=CC2C4
inchi:
InChI=1/C16H22O2/c1-2-4-13(5-3-1)15-17-10-16(11-18-15)9-12-6-7-14(16)8-12/h1-2,6-7,12-15H,3-5,8-11H2


name: Isobutyric acid, ester with 2,2,4-trimethylpentane-1,3-diol benzoate
cas: 35164-39-7
formula: C19H28O4
inchikey: FFSJSGNXYKUSCQ-UHFFFAOYSA-N
norman_susdat_id: NS00087933
smiles: CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C
inchi:
InChI=1/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3


name: 3ß,17,21-trihydroxypregn-5-en-20-one 3,17,21-tri(acetate)
cas: 3517-33-7
dtxsid: DTXSID20956611
formula: C27H38O7
inchikey: RHVLWSXKCVDNIJ-YOEZIVMMSA-N
norman_susdat_id: NS00048626
pubchem_cid: 107401
smiles: O=C(OCC(=O)C1(OC(=O)C)CCC2C3CC=C4CC(OC(=O)C)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C27H38O7/c1-16(28)32-15-24(31)27(34-18(3)30)13-10-23-21-7-6-19-14-20(33-17(2)29)8-11-25(19,4)22(21)9-12-26(23,27)5/h6,20-23H,7-15H2,1-5H3


name: 3ß,17-dihydroxypregn-5-en-20-one 3,17-di(acetate)
cas: 3517-38-2
dtxsid: DTXSID80956612
formula: C25H36O5
inchikey: JLYQTAVPLWZAFP-JNFBOQJPSA-N
norman_susdat_id: NS00048540
pubchem_cid: 107402
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C(=O)C)C2(C)CC1)C
inchi:
InChI=1/C25H36O5/c1-15(26)25(30-17(3)28)13-10-22-20-7-6-18-14-19(29-16(2)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h6,19-22H,7-14H2,1-5H3


name: 3ß,17,21-trihydroxypregn-5-en-20-one 3,21-di(acetate)
cas: 3517-42-8
dtxsid: DTXSID40956613
formula: C25H36O6
inchikey: OTNAVSJAMNLXPF-BSXCMTNWSA-N
norman_susdat_id: NS00049176
pubchem_cid: 107403
smiles: O=C(OCC(=O)C1(O)CCC2C3CC=C4CC(OC(=O)C)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C25H36O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h5,18-21,29H,6-14H2,1-4H3


name: 3'-ump
cas: 35170-03-7
chebiid: CHEBI:28895
dtxsid: DTXSID70920423
formula: C9H13N2O9P
inchikey: FOGRQMPFHUHIGU-XVFCMESISA-N
norman_susdat_id: NS00069767
pubchem_cid: 101543
smiles: O=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1
inchi:
InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1


name: 2,4-Bis(5,6-diphenyl-1,2,4-triazin-3-yl)pyridine
cas: 35171-26-7
chemspiderid: 106140
dtxsid: DTXSID0067894
formula: C35H23N7
inchikey: VPFRKCLANRPJBN-UHFFFAOYSA-N
norman_susdat_id: NS00029793
pubchem_cid: 118779
smiles: c1ccc(cc1)c1c(nc(nn1)c1cc(ncc1)c1nc(c2ccccc2)c(nn1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C35H23N7/c1-5-13-24(14-6-1)30-32(26-17-9-3-10-18-26)39-41-34(37-30)28-21-22-36-29(23-28)35-38-31(25-15-7-2-8-16-25)33(40-42-35)27-19-11-4-12-20-27/h1-23H


name: 5-(n-Nonadecyl)resorcinol
cas: 35176-46-6
chebiid: CHEBI:172608
dtxsid: DTXSID50188665
formula: C25H44O2
inchikey: PUNOCEUUYUXUGR-UHFFFAOYSA-N
norman_susdat_id: NS00077047
smiles: CCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
inchi:
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3


name: Disodium octadecyl phosphate
cas: 35177-76-5
formula: C18H39O4P.2Na
inchikey: MVFPQYVAVMINHP-UHFFFAOYSA-L
norman_susdat_id: NS00087425
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C18H39O4P.2Na/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);;/q;2*+1/p-2


name: 4-Chloro-N-(1,1-diethyldocosyl)-1-hydroxynaphthalene-2-carboxamide
cas: 35185-58-1
chemspiderid: 2283818
dtxsid: DTXSID20188672
formula: C37H60Cl1N1O2
inchikey: ARFVNQPBJMMWIM-UHFFFAOYSA-N
norman_susdat_id: NS00029795
pubchem_cid: 3015745
smiles: CCCCCCCCCCCCCCCCCCCCCC(CC)(CC)NC(=O)c1c(O)c2c(cccc2)c(Cl)c1
inchi:
InChI=1S/C37H60ClNO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-37(5-2,6-3)39-36(41)33-30-34(38)31-27-24-25-28-32(31)35(33)40/h24-25,27-28,30,40H,4-23,26,29H2,1-3H3,(H,39,41)


name: 3-Ethyltetracosan-3-ol
cas: 35185-60-5
chemspiderid: 89393
dtxsid: DTXSID80188673
formula: C26H54O1
inchikey: MWAVENVCDCNNPF-UHFFFAOYSA-N
norman_susdat_id: NS00029796
pubchem_cid: 98968
smiles: CCCCCCCCCCCCCCCCCCCCCC(O)(CC)CC
inchi:
InChI=1S/C26H54O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3/h27H,4-25H2,1-3H3


name: cis-​endo-​bicyclo[2.2.1]heptane-​2,3-​dicarboxylic acid, disodium salt
cas: 351870-33-2
dtxsid: DTXSID80188678
formula: C9H10Na2O4
inchikey: FXDGCBFGSXNGQD-FAESFXMKSA-L
norman_susdat_id: NS00112933
smiles: [Na+].[Na+].[O-]C(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C([O-])=O
inchi:
InChI=1S/C9H12O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h4-7H,1-3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2/t4-,5+,6-,7+;;


name: Norgestimate
cas: 35189-28-7
chebiid: CHEBI:50815
chemspiderid: 5022837
dtxsid: DTXSID1046922
formula: C23H31N1O3
inchikey: KIQQMECNKUGGKA-NMYWJIRASA-N
norman_susdat_id: NS00001983
pubchem_cid: 6540478
smiles: CC[C@]12CC[C@H]3[C@@H](CCC4=CC(CC[C@H]34)=NO)[C@@H]1CC[C@@]2(OC(C)=O)C#C
inchi:
InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1


name: 1,8-Divinylperfluorooctane
cas: 35192-44-0
chemspiderid: 2018790
dtxsid: DTXSID90371872
formula: C12H6F16
inchikey: JJLUWYULIBMDGF-UHFFFAOYSA-N
norman_susdat_id: NS00018968
pubchem_cid: 2737145
smiles: FC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C
inchi:
InChI=1S/C12H6F16/c1-3-5(13,14)7(17,18)9(21,22)11(25,26)12(27,28)10(23,24)8(19,20)6(15,16)4-2/h3-4H,1-2H2


name: N~1~,N~3~-Bis(2-sulfanylethyl)benzene-1,3-dicarboxamide
cas: 351994-94-0
dtxsid: DTXSID10610932
formula: C12H16N2O2S2
inchikey: JUTBAVRYDAKVGQ-UHFFFAOYSA-N
norman_susdat_id: NS00073437
smiles: O=C(NCCS)c1cccc(C(=O)NCCS)c1
inchi:
InChI=1S/C12H16N2O2S2/c15-11(13-4-6-17)9-2-1-3-10(8-9)12(16)14-5-7-18/h1-3,8,17-18H,4-7H2,(H,13,15)(H,14,16)


name: Tetrahydropalmatin
cas: 3520-14-7
chemspiderid: 839542
dtxsid: DTXSID80359548
formula: C21H25NO4
inchikey: AEQDJSLRWYMAQI-QGZVFWFLSA-N
norman_susdat_id: NS00067005
pubchem_cid: 969488
smiles: COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC
inchi:
InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1


name: C.I. Acid Red 52
cas: 3520-42-1
chemspiderid: 56280
dtxsid: DTXSID7021235
formula: C29H35N2O7S2
inchikey: UPOLZKOBHUPYHE-UHFFFAOYSA-N
norman_susdat_id: NS00013510
pubchem_cid: NA
smiles: [Na+].CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(c2cc1C)c4ccc(cc4[S]([O-])(=O)=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1


name: Benzidine orange
cas: 3520-72-7
chemspiderid: 7844601
dtxsid: DTXSID6052031
formula: C32H24Cl2N8O2
inchikey: YFIMMXDLMXFWGF-UDEUAJILSA-N
norman_susdat_id: NS00001678
pubchem_cid: 9570133
smiles: CC1=NN(C(=O)C1=NNc1ccc(cc1Cl)-c1ccc(NN=C2/C(C)=NN(C2=O)c2ccccc2)c(Cl)c1)c1ccccc1
inchi:
InChI=1S/C32H24Cl2N8O2/c1-19-29(31(43)41(39-19)23-9-5-3-6-10-23)37-35-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)36-38-30-20(2)40-42(32(30)44)24-11-7-4-8-12-24/h3-18,35-36H,1-2H3/b37-29+,38-30+


name: OPEO-8
cas: 3520-90-9
dtxsid: DTXSID40470460
formula: C30H54O9
inchikey: GAGGDWODDNZVFP-UHFFFAOYSA-N
norman_susdat_id: NS00067063
smiles: CCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
inchi:
InChI=1S/C30H54O9/c1-2-3-4-5-6-7-8-29-9-11-30(12-10-29)39-28-27-38-26-25-37-24-23-36-22-21-35-20-19-34-18-17-33-16-15-32-14-13-31/h9-12,31H,2-8,13-28H2,1H3


name: 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]propan-1-one hydrochloride
cas: 35205-50-6
dtxsid: DTXSID80956657
formula: C25H27NO3
inchikey: VCJGIWCGPCCULN-UHFFFAOYSA-N
norman_susdat_id: NS00055560
pubchem_cid: 3015747
smiles: Cl.O=C(C1=CC=C(OCC=2C=CC=CC2)C=C1)C(NC(C)COC=3C=CC=CC3)C
inchi:
InChI=1/C25H27NO3.ClH/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21;/h3-16,19-20,26H,17-18H2,1-2H3;1H


cas: 3521-06-0
dtxsid: DTXSID30883984
formula: C23H24ClN2
inchikey: GRPFBMKYXAYEJM-UHFFFAOYSA-M
norman_susdat_id: NS00048627
pubchem_cid: 107404
smiles: [Cl-].ClC=1C=CC=CC1C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C
name:
[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1


name: 2,6-bis[3-(4-azidophenyl)-2-propenylidene]-4-methylcyclohexan-1-one
cas: 35210-50-5
formula: C25H24N6O
inchikey: CQKOEPBDZWNFFC-UHFFFAOYSA-N
norman_susdat_id: NS00054708
pubchem_cid: 3015748
smiles: [N-]=[N+]=NC1=CC=C(C=CC=C2C(=O)C(=CC=CC3=CC=C(N=[N+]=[N-])C=C3)CC(C)C2)C=C1
inchi:
InChI=1/C25H22N6O/c1-18-16-21(6-2-4-19-8-12-23(13-9-19)28-30-26)25(32)22(17-18)7-3-5-20-10-14-24(15-11-20)29-31-27/h2-15,18H,16-17H2,1H3


name: STEARYL LACTATE
cas: 35230-14-9
chemspiderid: 105655
formula: C21H42O3
inchikey: UKGRTCZMPQERFQ-UHFFFAOYSA-N
norman_susdat_id: NS00014131
pubchem_cid: 118224
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(C)O
inchi:
InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h20,22H,3-19H2,1-2H3


name: Didodecyl nonylphenyl phosphite
cas: 35239-35-1
chemspiderid: 4675328
dtxsid: DTXSID40188730
formula: C39H73O3P1
inchikey: XRZOGOFWWKOYPJ-UHFFFAOYSA-N
norman_susdat_id: NS00020412
pubchem_cid: 5743440
smiles: CCCCCCCCCCCCOP(OCCCCCCCCCCCC)Oc1c(CCCCCCCCC)cccc1
inchi:
InChI=1S/C39H73O3P/c1-4-7-10-13-16-18-20-23-26-31-36-40-43(41-37-32-27-24-21-19-17-14-11-8-5-2)42-39-35-30-29-34-38(39)33-28-25-22-15-12-9-6-3/h29-30,34-35H,4-28,31-33,36-37H2,1-3H3


name: 2-(hydroxymethyl)-2-[[(2-methyl-1-oxoallyl)oxy]methyl]-1,3-propanediyl bismethacrylate
cas: 3524-66-1
formula: C17H24O7
inchikey: JUDXBRVLWDGRBC-UHFFFAOYSA-N
norman_susdat_id: NS00049178
pubchem_cid: 77057
smiles: O=C(OCC(CO)(COC(=O)C(=C)C)COC(=O)C(=C)C)C(=C)C
inchi:
InChI=1/C17H24O7/c1-11(2)14(19)22-8-17(7-18,9-23-15(20)12(3)4)10-24-16(21)13(5)6/h18H,1,3,5,7-10H2,2,4,6H3


name: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
cas: 35241-54-4
dtxsid: DTXSID00956679
formula: C17H18O5
inchikey: VVDZZNWYISOIDK-UHFFFAOYSA-N
norman_susdat_id: NS00057079
pubchem_cid: 3084606
smiles: O=C(C=1C(O)=CC(OC)=CC1O)CCC2=CC=C(OC)C=C2
inchi:
InChI=1/C17H18O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-4,6-7,9-10,19-20H,5,8H2,1-2H3


name: 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
cas: 35241-55-5
chebiid: CHEBI:28523
chemspiderid: 148386
dtxsid: DTXSID80188734
formula: C16H16O4
inchikey: MDMCODCJMHTFIZ-UHFFFAOYSA-N
norman_susdat_id: NS00029808
pubchem_cid: 169676
smiles: COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1
inchi:
InChI=1S/C16H16O4/c1-20-12-9-14(18)16(15(19)10-12)13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10,18-19H,7-8H2,1H3


name: 3-phenyl-N-[1-[[[4-(phenylazo)phenyl]methoxy]carbonyl]-L-prolyl]-L-alanine
cas: 35242-80-9
dtxsid: DTXSID90956683
formula: C28H28N4O5
inchikey: LDODGHZAJZROFE-DQEYMECFSA-N
norman_susdat_id: NS00057080
pubchem_cid: 56842539
smiles: O=C(O)C(NC(=O)C1N(C(=O)OCC2=CC=C(N=NC=3C=CC=CC3)C=C2)CCC1)CC=4C=CC=CC4
inchi:
InChI=1/C28H28N4O5/c33-26(29-24(27(34)35)18-20-8-3-1-4-9-20)25-12-7-17-32(25)28(36)37-19-21-13-15-23(16-14-21)31-30-22-10-5-2-6-11-22/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,29,33)(H,34,35)


name: 3-[[(2-methylphenyl)amino]carbonyl]-2-naphthyl chloroacetate
cas: 35245-26-2
dtxsid: DTXSID30956687
formula: C20H16ClNO3
inchikey: FMVKYSCWHDVMGO-UHFFFAOYSA-N
norman_susdat_id: NS00058444
pubchem_cid: 160247
smiles: O=C(OC1=CC=2C=CC=CC2C=C1C(=O)NC=3C=CC=CC3C)CCl
inchi:
InChI=1/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)


name: Delafloxacin
cas: 352458-37-8
dtxsid: DTXSID40172331
formula: C18H12ClF3N4O4
inchikey: DYDCPNMLZGFQTM-UHFFFAOYSA-N
norman_susdat_id: NS00069345
smiles: Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F
inchi:
InChI=1S/C18H12ClF3N4O4/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30)


name: N,n'-bis({3,5-bis[1-(carbamimidamidoimino)ethyl]phenyl})decanediamide
cas: 352513-83-8
dtxsid: DTXSID70870333
formula: C34H52N18O2
inchikey: PWDYHMBTPGXCSN-VCBMUGGBSA-N
norman_susdat_id: NS00072955
pubchem_cid: 5745214
inchi:
InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19+,46-20+,47-21+,48-22+

smiles:
C/C(=NNC(=N)N)c1cc(NC(=O)CCCCCCCCC(=O)Nc2cc(/C(C)=N/NC(=N)N)cc(/C(C)=N/NC(=N)N)c2)cc(/C(C)=N/NC(=N)N)c1


name: 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE
cas: 352519-21-2
dtxsid: DTXSID40332291
formula: C19H25N5O3
inchikey: TUOSCZDRWRYPRS-UHFFFAOYSA-N
norman_susdat_id: NS00069364
pubchem_cid: 448965
smiles: CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc2c(N)ncnc21
inchi:
InChI=1S/C19H25N5O3/c1-5-6-7-24-15(23-16-18(20)21-11-22-19(16)24)10-12-8-13(25-2)17(27-4)14(9-12)26-3/h8-9,11H,5-7,10H2,1-4H3,(H2,20,21,22)


name: N2-(N-(N-(1-(((4-(Phenylazo)phenyl)methoxy)carbonyl)-L-prolyl)-L-phenylalanyl)glycyl)-D-arginine
cas: 35253-75-9
chemspiderid: 21229953
dtxsid: DTXSID40188750
formula: C36H43N9O7
inchikey: XGSIHMYTSNNUNE-ZVFJQHPVSA-N
norman_susdat_id: NS00029813
pubchem_cid: NA
smiles: NC(=NCCCC(NC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)OCc1ccc(cc1)N=Nc1ccccc1)C(=O)O)N
inchi:
InChI=1S/C36H43N9O7/c37-35(38)39-19-7-13-28(34(49)50)41-31(46)22-40-32(47)29(21-24-9-3-1-4-10-24)42-33(48)30-14-8-20-45(30)36(51)52-23-25-15-17-27(18-16-25)44-43-26-11-5-2-6-12-26/h1-6,9-12,15-18,28-30H,7-8,13-14,19-23H2,(H,40,47)(H,41,46)(H,42,48)(H,49,50)(H4,37,38,39)/b44-43+/t28-,29-,30+/m1/s1


cas: 352538-84-2
dtxsid: DTXSID60897150
formula: C45H75F13O12Si8
inchikey: KPGCEMIQTUXJTQ-UHFFFAOYSA-N
norman_susdat_id: NS00111167
name:
Tricyclo[7.3.3.15,11]heptasiloxane-3,7-diol, 1,3,5,7,9,11,14-heptacyclopentyl-14-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy]-

inchi:
InChI=1/C45H75F13O12Si8/c1-71(2,32-31-40(46,47)41(48,49)42(50,51)43(52,53)44(54,55)45(56,57)58)61-74(35-21-7-8-22-35)66-76(37-25-11-12-26-37)64-72(59,33-17-3-4-18-33)62-75(36-23-9-10-24-36)63-73(60,34-19-5-6-20-34)65-77(67-74,38-27-13-14-28-38)70-78(68-75,69-76)39-29-15-16-30-39/h33-39,59-60H,3-32H2,1-2H3

smiles:
C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si]1(O[Si]2(O[Si](O)(O[Si]3(O[Si](O)(O[Si](O1)(O[Si](O3)(O2)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1


name: 2-(2-hydroxypropyl)-5-methoxy-1H-xantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
cas: 35254-10-5
formula: C22H17NO5
inchikey: WEYUBYRKSDCJAH-UHFFFAOYSA-N
norman_susdat_id: NS00058446
pubchem_cid: 118226
smiles: O=C1C=2C=CC=3C=4C=CC=CC4OC5=C(OC)C=C(C(=O)N1CC(O)C)C2C53
inchi:
InChI=1/C22H17NO5/c1-11(24)10-23-21(25)14-8-7-13-12-5-3-4-6-16(12)28-20-17(27-2)9-15(22(23)26)18(14)19(13)20/h3-9,11,24H,10H2,1-2H3


name: 4-epi-Oxytetracycline
cas: 35259-39-3
chemspiderid: 57578636
dtxsid: DTXSID20873793
formula: C22H24N2O8
inchikey: WHTVTKMNEDQISA-UHFFFAOYSA-N
norman_susdat_id: NS00040590
pubchem_cid: 91872169
smiles: CN(C)C1C2C(O)C3C(=C(O)c4ccccc4C3(C)O)C(=O)C2(O)C(O)=C(C(N)=O)C1=O
inchi:
InChI=1S/C22H24N2O8/c1-21(31)9-7-5-4-6-8(9)15(25)10-12(21)17(27)13-14(24(2)3)16(26)11(20(23)30)19(29)22(13,32)18(10)28/h4-7,12-14,17,25,27,29,31-32H,1-3H3,(H2,23,30)


name: 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis(2-methylaziridin-1-yl)-1,2,3,4,5,6-triazatriphosphorine
cas: 3527-55-7
dtxsid: DTXSID20956712
formula: C18H36N9P3
inchikey: NGZPBOGBIKWFQY-UHFFFAOYSA-N
norman_susdat_id: NS00049179
pubchem_cid: 72596
smiles: N=1P(=NP(=NP1(N2CC2C)N3CC3C)(N4CC4C)N5CC5C)(N6CC6C)N7CC7C
inchi:
InChI=1/C18H36N9P3/c1-13-7-22(13)28(23-8-14(23)2)19-29(24-9-15(24)3,25-10-16(25)4)21-30(20-28,26-11-17(26)5)27-12-18(27)6/h13-18H,7-12H2,1-6H3


cas: 35277-23-7
formula: C18H52N6O24P8
inchikey: VFRQPCYDJZQZPV-UHFFFAOYSA-N
norman_susdat_id: NS00058447
pubchem_cid: 4535414
name:
[[3,6,9,12-tetrakis(phosphonomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakisphosphonic acid

inchi:
InChI=1/C18H52N6O24P8/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)

smiles:
O=P(O)(O)CN(CCN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O


name: 1-(2-Aminoethyl)-2-(8-heptadecenyl)-2-imidazoline
cas: 3528-63-0
chemspiderid: 21160701
dtxsid: DTXSID7063057
formula: C22H43N3
inchikey: DLIZJCBWTRNYKF-UHFFFAOYSA-N
norman_susdat_id: NS00019975
pubchem_cid: 88595
smiles: CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN
inchi:
InChI=1S/C22H43N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h9-10H,2-8,11-21,23H2,1H3/b10-9+


name: N-(2-aminoethyl)-N'-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
cas: 3528-65-2
formula: C26H53N5
inchikey: NINKGRYZTNGWOE-UHFFFAOYSA-N
norman_susdat_id: NS00049013
pubchem_cid: 105216
smiles: N1=C(N(CC1)CCNCCNCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H53N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h9-10,28-29H,2-8,11-25,27H2,1H3


name: Benzonitrile, 4-[[[4-(hexyloxy)phenyl]methylene]amino]-
cas: 35280-78-5
chemspiderid: 106158
dtxsid: DTXSID7067904
formula: C20H22N2O1
inchikey: YABQOLANVLHEPV-UHFFFAOYSA-N
norman_susdat_id: NS00029817
pubchem_cid: 118801
smiles: CCCCCCOc1ccc(C=Nc2ccc(cc2)C#N)cc1
inchi:
InChI=1S/C20H22N2O/c1-2-3-4-5-14-23-20-12-8-18(9-13-20)16-22-19-10-6-17(15-21)7-11-19/h6-13,16H,2-5,14H2,1H3/b22-16+


name: Reduced haloperidol
cas: 35285-54-2
dtxsid: DTXSID80929321
formula: C21H25ClFNO2
inchikey: WNZBBTJFOIOEMP-UHFFFAOYSA-N
norman_susdat_id: NS00096959
smiles: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)O
inchi:
InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2


name: 4-cyclohexyl-<U+03B3>-oxobenzenebutyric acid
cas: 35288-13-2
dtxsid: DTXSID70956727
formula: C16H20O3
inchikey: QFDYKCAHHQKPSB-UHFFFAOYSA-N
norman_susdat_id: NS00058449
pubchem_cid: 161862
smiles: O=C(O)CCC(=O)C1=CC=C(C=C1)C2CCCCC2
inchi:
InChI=1/C16H20O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10-11H2,(H,18,19)


name: Disodium 8-(4-methylphenylamino)-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate
cas: 3529-01-9
dtxsid: DTXSID7044924
formula: C33H25N5O6S2
inchikey: BMYUQZABARGLAD-UHFFFAOYSA-L
norman_susdat_id: NS00049061
pubchem_cid: 72586
inchi:
InChI=1/C33H25N5O6S2.2Na/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41;;/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC=3C=CC(NC4=CC=C(C=C4)C)=C5C3C=CC=C5S(=O)(=O)[O-])C=6C=CC=CC26)C1


name: Chloro(2-methyl-2-phenylpropyl)magnesium
cas: 35293-35-7
formula: C10H13ClMg
inchikey: BXKYFONHSSFLKR-UHFFFAOYSA-M
norman_susdat_id: NS00089372
smiles: CC(C)(C[Mg]Cl)c1ccccc1
inchi:
InChI=1/C10H13.ClH.Mg/c1-10(2,3)9-7-5-4-6-8-9;;/h4-8H,1H2,2-3H3;1H;/q;;+1/p-1/rC10H13ClMg/c1-10(2,8-12-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3


cas: 35294-62-3
chemspiderid: 105659
dtxsid: DTXSID7067906
formula: C18H13N5O6S2
inchikey: AKCDCAQDDVLGOI-UHFFFAOYSA-M
norman_susdat_id: NS00021129
pubchem_cid: 101834876
smiles: [Na+].Cc1c(c2c(cc1)nc(s2)c1ccc(cc1)N=NC1C(=O)NC(=O)NC1=O)S(=O)(=O)[O-]
name:
7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, monosodium salt

inchi:
InChI=1S/C18H13N5O6S2/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26)/b23-22+


name: Sodium p-[[bis[p-(dimethylamino)phenyl]methyl]amino]benzenesulphonate
cas: 35294-72-5
dtxsid: DTXSID90188785
formula: C23H27N3O3S
inchikey: AOTJCNGOOCDOSL-UHFFFAOYSA-M
norman_susdat_id: NS00057555
pubchem_cid: 3015758
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C23H27N3O3S.Na/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29;/h5-16,23-24H,1-4H3,(H,27,28,29);/q;+1/p-1


name: Nonylbenzenesulphonic acid
cas: 35298-13-6
dtxsid: DTXSID70895046
formula: C15H24O3S
inchikey: IVMUPSZAZLJPIM-UHFFFAOYSA-N
norman_susdat_id: NS00058450
pubchem_cid: 13651088
smiles: O=S(=O)(O)C=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C15H24O3S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18)


cas: 3530-19-6
dtxsid: DTXSID6063060
formula: C30H24N4O8S2
inchikey: PHOZXQMVPWPNAP-UHFFFAOYSA-L
norman_susdat_id: NS00049062
pubchem_cid: 165135
name:
Disodium 8-[[4'-[(4-ethoxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C30H24N4O8S2.2Na/c1-2-42-25-14-12-24(13-15-25)32-31-22-8-3-19(4-9-22)20-5-10-23(11-6-20)33-34-30-27(35)16-7-21-17-26(43(36,37)38)18-28(29(21)30)44(39,40)41;;/h3-18,35H,2H2,1H3,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

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


name: Dimyristoyl peroxide
cas: 3530-28-7
chemspiderid: 69511
dtxsid: DTXSID00188812
formula: C28H54O4
inchikey: SLFUZVJZPBHLAQ-UHFFFAOYSA-N
norman_susdat_id: NS00029829
pubchem_cid: 77065
smiles: CCCCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-32-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: 1,3,5-Triazine-2,4-disulfenamide, N,N'-dicyclohexyl-6-(diethylamino)-
cas: 35302-14-8
chemspiderid: 105661
dtxsid: DTXSID2067909
formula: C19H34N6S2
inchikey: JPLINCBENVLYRJ-UHFFFAOYSA-N
norman_susdat_id: NS00029827
pubchem_cid: 118230
smiles: CCN(CC)c1nc(SNC2CCCCC2)nc(SNC2CCCCC2)n1
inchi:
InChI=1S/C19H34N6S2/c1-3-25(4-2)17-20-18(26-23-15-11-7-5-8-12-15)22-19(21-17)27-24-16-13-9-6-10-14-16/h15-16,23-24H,3-14H2,1-2H3


name: 1,3,5-Triazine-2,4-disulfenamide, 6-(diethylamino)-N,N'-bis(1,1-dimethylethyl)-
cas: 35302-16-0
chemspiderid: 106163
dtxsid: DTXSID1067910
formula: C15H30N6S2
inchikey: TZMRQBUUKHDXFH-UHFFFAOYSA-N
norman_susdat_id: NS00029828
pubchem_cid: 118806
smiles: CCN(CC)c1nc(SNC(C)(C)C)nc(SNC(C)(C)C)n1
inchi:
InChI=1S/C15H30N6S2/c1-9-21(10-2)11-16-12(22-19-14(3,4)5)18-13(17-11)23-20-15(6,7)8/h19-20H,9-10H2,1-8H3


name: 2,6-Di-tert-butyl-4-octylphenol
cas: 35309-87-6
chemspiderid: 2283830
dtxsid: DTXSID40188816
formula: C22H38O1
inchikey: NICMVXRQHWVBAP-UHFFFAOYSA-N
norman_susdat_id: NS00029832
pubchem_cid: 3015759
smiles: CCCCCCCCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C22H38O/c1-8-9-10-11-12-13-14-17-15-18(21(2,3)4)20(23)19(16-17)22(5,6)7/h15-16,23H,8-14H2,1-7H3


name: Tetraisobutyltin
cas: 3531-43-9
dtxsid: DTXSID00188817
formula: C16H36Sn
inchikey: CKPJWJGGZOJURQ-UHFFFAOYSA-N
norman_susdat_id: NS00048376
pubchem_cid: NA
smiles: CC(C)C[Sn](CC(C)C)(CC(C)C)CC(C)C
inchi:
InChI=1/4C4H9.Sn/c4*1-4(2)3;/h4*4H,1H2,2-3H3;/rC16H36Sn/c1-13(2)9-17(10-14(3)4,11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3


name: Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N'-bis(1-methylethyl)-N,N'-dioctadecyl-
cas: 35318-10-6
chemspiderid: 106164
dtxsid: DTXSID6067911
formula: C44H88N2S4
inchikey: PAHVWNRWGPYIMP-UHFFFAOYSA-N
norman_susdat_id: NS00029833
pubchem_cid: 118807
smiles: CCCCCCCCCCCCCCCCCCN(C(C)C)C(=S)SSC(=S)N(CCCCCCCCCCCCCCCCCC)C(C)C
inchi:
InChI=1S/C44H88N2S4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45(41(3)4)43(47)49-50-44(48)46(42(5)6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-42H,7-40H2,1-6H3


cas: 35325-49-6
formula: C26H25N3O3
inchikey: MPWHKYNUMSYUBY-UHFFFAOYSA-N
norman_susdat_id: NS00057592
pubchem_cid: 3015761
smiles: N#CC(=CC=C1N(C2=CC=C(C=C2C1(C)C)C3=NC4=CC(=CC=C4O3)C)C)C(=O)OCC
name:
Ethyl 2-cyano-4-[1,3-dihydro-1,3,3-trimethyl-5-(5-methyl-2-benzoxazolyl)-2H-indole-2-ylidene]-2-butenoate

inchi:
InChI=1/C26H25N3O3/c1-6-31-25(30)18(15-27)9-12-23-26(3,4)19-14-17(8-10-21(19)29(23)5)24-28-20-13-16(2)7-11-22(20)32-24/h7-14H,6H2,1-5H3


name: Azidocillin
cas: 35334-12-4
chebiid: CHEBI:51758
dtxsid: DTXSID20938154
formula: C16H17N5O4S
inchikey: ODFHGIPNGIAMDK-NJBDSQKTSA-N
norman_susdat_id: NS00099156
pubchem_cid: 15574941
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N=[N+]=[N-])c3ccccc3)C(=O)N2[C@H]1C(=O)O
inchi:
InChI=1S/C16H17N5O4S/c1-16(2)11(15(24)25)21-13(23)10(14(21)26-16)18-12(22)9(19-20-17)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,22)(H,24,25)/t9-,10-,11+,14-/m1/s1


name: Monocrotaline-N-oxide
cas: 35337-98-5
chemspiderid: 170755
dtxsid: DTXSID70956767
formula: C16H23NO7
inchikey: LHVAZUAALQTANZ-UHFFFAOYSA-N
norman_susdat_id: NS00100960
pubchem_cid: 197173
smiles: CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]
inchi:
InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3


name: (1a,3ß)-cholest-5-ene-1,3-diyl diacetate
cas: 35339-68-5
dtxsid: DTXSID30956768
formula: C31H50O4
inchikey: FZOXBZOQYMCCSG-UEHZWOINSA-N
norman_susdat_id: NS00057520
pubchem_cid: 53826710
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)C(OC(=O)C)C1)C
inchi:
InChI=1/C31H50O4/c1-19(2)9-8-10-20(3)26-13-14-27-25-12-11-23-17-24(34-21(4)32)18-29(35-22(5)33)31(23,7)28(25)15-16-30(26,27)6/h11,19-20,24-29H,8-10,12-18H2,1-7H3


name: Lithium 2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate
cas: 35342-16-6
formula: C18H13N5O6S2.Li
inchikey: IAQVYEDWPGJFDC-UHFFFAOYSA-M
norman_susdat_id: NS00088950
smiles: [Li+].O=C4NC(=O)NC(=O)C4N=Nc1ccc(cc1)c2nc3ccc(C)c(c3s2)S([O-])(=O)=O
inchi:
InChI=1/C18H13N5O6S2.Li/c1-8-2-7-11-13(14(8)31(27,28)29)30-17(19-11)9-3-5-10(6-4-9)22-23-12-15(24)20-18(26)21-16(12)25;/h2-7,12H,1H3,(H,27,28,29)(H2,20,21,24,25,26);/q;+1/p-1


cas: 35342-20-2
formula: C27H20Cl2N6O4
inchikey: CUNXFAPHUFACLF-UHFFFAOYSA-N
norman_susdat_id: NS00057136
pubchem_cid: 3015763
smiles: O=C1NC2=CC(=CC(Cl)=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC=5C=C(NC(=O)C)C(=CC5Cl)C)=C3O
name:
4-[[5-(acetylamino)-2-chloro-4-methylphenyl]azo]-N-(7-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C27H20Cl2N6O4/c1-12-7-18(28)21(11-20(12)30-13(2)36)34-35-23-16-6-4-3-5-14(16)8-17(25(23)37)26(38)31-15-9-19(29)24-22(10-15)32-27(39)33-24/h3-11,37H,1-2H3,(H,30,36)(H,31,38)(H2,32,33,39)


name: Tetraheptylammonium iodide
cas: 3535-83-9
formula: C28H60N.I
inchikey: KCSOHLKZTZMKQA-UHFFFAOYSA-M
norman_susdat_id: NS00083446
smiles: [I-].CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC
inchi:
InChI=1/C28H60N.HI/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1


name: cis-2-methyl-7-octadecene
cas: 35354-39-3
dtxsid: DTXSID90880732
formula: C19H38
inchikey: XDBKLFODBADBED-YPKPFQOOSA-N
norman_susdat_id: NS00096077
smiles: CCCCCCCCCCC=C/CCCCC(C)C
inchi:
InChI=1S/C19H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h13-14,19H,4-12,15-18H2,1-3H3/b14-13-


name: CI 42051
cas: 3536-49-0
chemspiderid: 23352374
formula: C27H34N2O7S2
inchikey: LRFHIIJYCIRFGI-UHFFFAOYSA-N
norman_susdat_id: NS00013500
pubchem_cid: 56843326
inchi:
InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2

smiles:
[Ca++].CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3cc(O)c(cc3[S]([O-])(=O)=O)[S]([O-])(=O)=O.CCN(CC)c4ccc(cc4)[C+](c5ccc(cc5)N(CC)CC)c6cc(O)c(cc6[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: Adenylyl-(3'-5')-adenosine 3'-monophosphate
cas: 3536-89-8
formula: C20H26N10O13P2
inchikey: ABDWNIRZBUVFHC-UHFFFAOYSA-N
norman_susdat_id: NS00049064
pubchem_cid: NA
smiles: O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OC2C(O)C(OC2CO)N3C=NC=4C(=NC=NC43)N)N5C=NC=6C(=NC=NC65)N
inchi:
InChI=1/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(32)13(7(1-31)40-19)43-45(37,38)39-2-8-14(42-44(34,35)36)12(33)20(41-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)


name: Penfluron
cas: 35367-31-8
chemspiderid: 96832
dtxsid: DTXSID8042262
formula: C15H9F5N2O2
inchikey: JTHMHWAHAKLCKT-UHFFFAOYSA-N
norman_susdat_id: NS00015483
pubchem_cid: 107651
smiles: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)C(F)(F)F)F
inchi:
InChI=1S/C15H9F5N2O2/c16-10-2-1-3-11(17)12(10)13(23)22-14(24)21-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H2,21,22,23,24)


name: Diflubenzuron
cas: 35367-38-5
chebiid: CHEBI:34703
chemspiderid: 34065
dtxsid: DTXSID1024049
formula: C14H9Cl1F2N2O2
inchikey: QQQYTWIFVNKMRW-UHFFFAOYSA-N
norman_susdat_id: NS00009540
pubchem_cid: 37123
smiles: Fc1cccc(F)c1C(=O)NC(=O)Nc1ccc(Cl)cc1
eea_notation: CAS_35367-38-5
inchi:
InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)


name: Dibutylchloroaluminium
cas: 3537-86-8
formula: C8H18AlCl
inchikey: VJRUISVXILMZSL-UHFFFAOYSA-M
norman_susdat_id: NS00083781
smiles: CCCC[Al](Cl)CCCC
inchi:
InChI=1/2C4H9.Al.ClH/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;1H/q;;+1;/p-1/rC8H18AlCl/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3


cas: 35379-58-9
dtxsid: DTXSID1067916
formula: C25H25N2O4S2
inchikey: KDSIASSODAWJDE-UHFFFAOYSA-N
norman_susdat_id: NS00057596
pubchem_cid: NA
smiles: [H+].O=C([O-])CCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC=CC4[N+]3CCC(=O)[O-])CC
name:
Hydrogen 3-(2-carboxylatoethyl)-2-[2-[[3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]benzothiazolium

inchi:
InChI=1/C25H24N2O4S2.H2/c1-2-17(15-22-26(13-11-24(28)29)18-7-3-5-9-20(18)32-22)16-23-27(14-12-25(30)31)19-8-4-6-10-21(19)33-23;/h3-10,15-16H,2,11-14H2,1H3,(H-,28,29,30,31);1H/q;+1/p-1


name: Ethanol, 2-(hexyloxy)-, hydrogen phosphate
cas: 3538-36-1
chemspiderid: 69524
dtxsid: DTXSID6063066
formula: C16H35O6P1
inchikey: AUPWKFREAREWIL-UHFFFAOYSA-N
norman_susdat_id: NS00029842
pubchem_cid: 77078
smiles: CCCCCCOCCOP(=O)(O)OCCOCCCCCC
inchi:
InChI=1S/C16H35O6P/c1-3-5-7-9-11-19-13-15-21-23(17,18)22-16-14-20-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18)


name: O-benzyl-DL-alanine toluene-p-sulphonate
cas: 35386-78-8
formula: C10H13NO2.C7H8O3S
inchikey: NWOPHJSSBMABBD-QRPNPIFTSA-N
norman_susdat_id: NS00088717
smiles: C[C@H](N)C(=O)OCc1ccccc1.Cc2ccc(cc2)S(=O)(=O)O
inchi:
InChI=1/C10H13NO2.C7H8O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6,8H,7,11H2,1H3;2-5H,1H3,(H,8,9,10)


cas: 35397-13-8
dtxsid: DTXSID50880435
norman_susdat_id: NS00110593
name:
Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]-, polymer with chlorotrifluoroethene and ethene


cas: 354-15-4
formula: C2HCl3F2
norman_susdat_id: NS00107040
name:
Reaction mass of (2R)-1,1,2-trichloro-1,2-difluoroethane and (2S)-1,1,2-trichloro-1,2-difluoroethane


name: Fenpiprane
cas: 3540-95-2
chebiid: CHEBI:135159
chemspiderid: 171191
dtxsid: DTXSID10188883
formula: C20H25N1
inchikey: JXJPYHDHJZJWRI-UHFFFAOYSA-N
norman_susdat_id: NS00009406
pubchem_cid: 197785
smiles: C(CN1CCCCC1)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2


cas: 35402-38-1
dtxsid: DTXSID30885620
formula: C29H34N3O2
inchikey: BIZUKZMQPYVJJF-UHFFFAOYSA-N
norman_susdat_id: NS00059170
pubchem_cid: 118814
smiles: [Cl-].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCC[N+](C)(C)CC=4C=CC=CC4)C13)NC(C)C
name:
Benzyl[3-[[9,10-dihydro-4-[isopropylamino]-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium chloride

inchi:
InChI=1/C29H33N3O2.ClH/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H


name: Phosphonium, (3-methyl-4-oxo-2-butenyl)triphenyl-, chloride
cas: 3541-81-9
chemspiderid: 23350907
formula: C23H22O1P1
inchikey: ICBDSDDTHZQTMU-UHFFFAOYSA-M
norman_susdat_id: NS00020801
pubchem_cid: 73866529
smiles: [Cl-].CC(=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C=O
inchi:
InChI=1S/C23H22OP/c1-20(19-24)17-18-25(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-17,19H,18H2,1H3/q+1/b20-17+


name: 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-methanesulphonate
cas: 35410-28-7
chemspiderid: 2873990
dtxsid: DTXSID20188894
formula: C22H30O7S1
inchikey: TZEYKLAAPSZABE-UHFFFAOYSA-N
norman_susdat_id: NS00005677
pubchem_cid: 3639814
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COS(C)(=O)=O
inchi:
InChI=1S/C22H30O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h6,8,10,15-17,19,24,26H,4-5,7,9,11-12H2,1-3H3


name: Trinonyl benzene-1,2,4-tricarboxylate
cas: 35415-27-1
chemspiderid: 451685
dtxsid: DTXSID60188898
formula: C36H60O6
inchikey: ROPPTGKKZZDFJN-UHFFFAOYSA-N
norman_susdat_id: NS00022086
pubchem_cid: 517694
smiles: CCCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCCC)c(cc1)C(=O)OCCCCCCCCC
inchi:
InChI=1S/C36H60O6/c1-4-7-10-13-16-19-22-27-40-34(37)31-25-26-32(35(38)41-28-23-20-17-14-11-8-5-2)33(30-31)36(39)42-29-24-21-18-15-12-9-6-3/h25-26,30H,4-24,27-29H2,1-3H3


name: Dichlorodioctylstannane
cas: 3542-36-7
dtxsid: DTXSID2029662
formula: C16H34Cl2Sn
inchikey: SBOSGIJGEHWBKV-UHFFFAOYSA-L
norman_susdat_id: NS00048378
pubchem_cid: NA
smiles: Cl[Sn](Cl)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2/rC16H34Cl2Sn/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: Disodium 2-amino-5-hydroxynaphthalene-1,7-disulphonate
cas: 35439-70-4
formula: C10H9NO7S2.2Na
inchikey: HGDZBCJUCXXHOT-UHFFFAOYSA-L
norman_susdat_id: NS00089221
smiles: [Na+].[Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.2Na/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2


name: Chloramphenicol succinate
cas: 3544-94-3
chebiid: CHEBI:3606
chemspiderid: 2608
dtxsid: DTXSID8048155
formula: C15H16Cl2N2O8
inchikey: LIRCDOVJWUGTMW-ZWNOBZJWSA-N
norman_susdat_id: NS00029860
pubchem_cid: 656580
smiles: OC(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1


name: 2-((4-(3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethanol
cas: 35441-12-4
chemspiderid: 2283846
dtxsid: DTXSID50188928
formula: C18H18Cl2N2O3S1
inchikey: ZSKBQNJOXKPYHR-UHFFFAOYSA-N
norman_susdat_id: NS00029852
pubchem_cid: 3015777
smiles: Cc1c(cc(Cl)c(Cl)c1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)CCO
inchi:
InChI=1S/C18H18Cl2N2O3S/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)26(24,25)9-8-23/h2-5,10-11,23H,6-9H2,1H3


cas: 35441-13-5
dtxsid: DTXSID90885621
formula: C18H18Cl2N2O5S2
inchikey: ZRHVIBPVGBXNFG-UHFFFAOYSA-M
norman_susdat_id: NS00058135
pubchem_cid: 118820
smiles: [Na+].O=S(=O)([O-])CCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=C(Cl)C(Cl)=CC3C)CC2
name:
Sodium 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethanesulphonate

inchi:
InChI=1/C18H18Cl2N2O5S2.Na/c1-12-10-16(19)17(20)11-15(12)18-6-7-22(21-18)13-2-4-14(5-3-13)28(23,24)8-9-29(25,26)27;/h2-5,10-11H,6-9H2,1H3,(H,25,26,27);/q;+1/p-1


name: 2-((4-(3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)ethyl acetate
cas: 35441-14-6
chemspiderid: 2283847
dtxsid: DTXSID10188929
formula: C20H20Cl2N2O4S1
inchikey: BPENLBNVXIQZEC-UHFFFAOYSA-N
norman_susdat_id: NS00029853
pubchem_cid: 3015778
smiles: CC(=O)OCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1c(C)cc(Cl)c(Cl)c1
inchi:
InChI=1S/C20H20Cl2N2O4S/c1-13-11-18(21)19(22)12-17(13)20-7-8-24(23-20)15-3-5-16(6-4-15)29(26,27)10-9-28-14(2)25/h3-6,11-12H,7-10H2,1-2H3


name: 3-(4,5-Dichloro-o-tolyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
cas: 35441-15-7
chemspiderid: 2283848
dtxsid: DTXSID20188930
formula: C18H16Cl2N2O2S1
inchikey: KXTWAZOEZDTTHP-UHFFFAOYSA-N
norman_susdat_id: NS00029854
pubchem_cid: 3015779
smiles: Cc1c(cc(Cl)c(Cl)c1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)C=C
inchi:
InChI=1S/C18H16Cl2N2O2S/c1-3-25(23,24)14-6-4-13(5-7-14)22-9-8-18(21-22)15-11-17(20)16(19)10-12(15)2/h3-7,10-11H,1,8-9H2,2H3


cas: 35441-18-0
chemspiderid: 106175
dtxsid: DTXSID5067920
formula: C22H27Cl2N3O3S1
inchikey: GVSKMWDMUCOLRO-UHFFFAOYSA-N
norman_susdat_id: NS00029855
pubchem_cid: 118821
smiles: CN(C)CCOCCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1c(C)cc(Cl)c(Cl)c1
name:
Ethanamine, 2-[2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethoxy]-N,N-dimethyl-

inchi:
InChI=1S/C22H27Cl2N3O3S/c1-16-14-20(23)21(24)15-19(16)22-8-9-27(25-22)17-4-6-18(7-5-17)31(28,29)13-12-30-11-10-26(2)3/h4-7,14-15H,8-13H2,1-3H3


name: 11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate)
cas: 3545-59-3
dtxsid: DTXSID40956855
formula: C30H42O6
inchikey: SVZRBMJEINPFCK-HVBFQCNSSA-N
norman_susdat_id: NS00049023
pubchem_cid: 107409
smiles: O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)COC(=O)CCC5CCCC5)C4(C)CC(O)C32)C
inchi:
InChI=1/C30H42O6/c1-18-14-21-22-11-13-30(35,25(33)17-36-26(34)9-8-19-6-4-5-7-19)29(22,3)16-24(32)27(21)28(2)12-10-20(31)15-23(18)28/h10,12,15,18-19,21-22,24,27,32,35H,4-9,11,13-14,16-17H2,1-3H3


name: N4-(7-chloro-4-quinolyl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride
cas: 3545-67-3
formula: C18H26ClN3.2ClH
inchikey: PCFGECQRSMVKCC-UHFFFAOYSA-N
norman_susdat_id: NS00083782
smiles: Cl.Cl.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
inchi:
InChI=1/C18H26ClN3.2ClH/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;;/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1H


name: Inosine cyclic 3',5'-(hydrogen phosphate)
cas: 3545-76-4
dtxsid: DTXSID00956856
formula: C10H11N4O7P
inchikey: DMJWGQPYNRPLGA-UHFFFAOYSA-N
norman_susdat_id: NS00049709
pubchem_cid: NA
smiles: O=C1NC=NC2=C1N=CN2C3OC4COP(=O)(O)OC4C3O
inchi:
InChI=1/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)


name: Midecamycin
cas: 35457-80-8
chebiid: CHEBI:31845
chemspiderid: 4445365
dtxsid: DTXSID5045463
formula: C41H67N1O15
inchikey: DMUAPQTXSSNEDD-QALJCMCCSA-N
norman_susdat_id: NS00029862
pubchem_cid: 5282169
inchi:
InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13-,17-15-/t23-,24-,25-,26-,27+,28+,29-,33+,34-,35-,36-,37-,38-,39-,40+,41-/m1/s1

smiles:
CCC(=O)O[C@@H]1[C@@H](C)O[C@H](C[C@@]1(C)O)O[C@@H]1[C@@H](C)O[C@@H](OC2C(CC=O)CC(C)C(O)/C=CC=CCC(C)OC(=O)CC(OC(=O)CC)C2OC)[C@H](O)[C@H]1N(C)C


name: 10-[3-(Dimethylamino)-2-methylpropyl]-10H-phenothiazine-2-carbonitrile (Cyamepromazine)
cas: 3546-03-0
chebiid: CHEBI:135379
chemspiderid: 56597
dtxsid: DTXSID80863190
formula: C19H21N3S1
inchikey: SLFGIOIONGJGRT-UHFFFAOYSA-N
norman_susdat_id: NS00008409
pubchem_cid: 62865
smiles: CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N
inchi:
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3


name: Phenesterin
cas: 3546-10-9
chemspiderid: 234187
dtxsid: DTXSID6021119
formula: C39H59Cl2NO2
inchikey: SPJCRMJCFSJKDE-ZWBUGVOYSA-N
norman_susdat_id: NS00114083
pubchem_cid: 266461
inchi:
InChI=1S/C39H59Cl2NO2/c1-27(2)7-6-8-28(3)34-15-16-35-33-14-11-30-26-32(17-19-38(30,4)36(33)18-20-39(34,35)5)44-37(43)25-29-9-12-31(13-10-29)42(23-21-40)24-22-41/h9-13,27-28,32-36H,6-8,14-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,38+,39-/m1/s1

smiles:
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl


name: Ethidium
cas: 3546-21-2
chebiid: CHEBI:42478
chemspiderid: 3498
dtxsid: DTXSID9048487
formula: C21H20N3
inchikey: QTANTQQOYSUMLC-UHFFFAOYSA-O
norman_susdat_id: NS00015346
pubchem_cid: NA
smiles: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
inchi:
InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1


name: Thialbarbital sodium
cas: 3546-29-0
formula: C13H16N2O2S.Na
inchikey: GDJWAYOMFZFOTG-UHFFFAOYSA-N
norman_susdat_id: NS00083453
smiles: [Na+].C=CCC1(C2CCCC=C2)C(=O)NC(=S)NC1=O
inchi:
InChI=1/C13H16N2O2S.Na/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18);/q;+1


name: Pyrvinium embonate
cas: 3546-41-6
chebiid: CHEBI:8688
formula: C26H28N3.1/2C23H14O6
inchikey: OOPDAHSJBRZRPH-UHFFFAOYSA-L
norman_susdat_id: NS00083433
inchi:
InChI=1/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2

smiles:
[O-]C(=O)c4cc1ccccc1c(Cc2c3ccccc3cc(C([O-])=O)c2O)c4O.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C.CN(C)c1ccc2[n+](C)c(ccc2c1)C=Cc4cc(C)n(c3ccccc3)c4C


name: Sodium N-dodecyl-ß-alaninate
cas: 3546-96-1
formula: C15H31NO2.Na
inchikey: HWCHICTXVOMIIF-UHFFFAOYSA-M
norman_susdat_id: NS00083434
smiles: [Na+].CCCCCCCCCCCCNCCC(=O)[O-]
inchi:
InChI=1/C15H31NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);/q;+1/p-1


name: Disodium 3-[(o-arsonophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 3547-38-4
formula: C16H13AsN2O11S2.2Na
inchikey: XRURKGOGGBIGRV-UHFFFAOYSA-L
norman_susdat_id: NS00083116
smiles: [Na+].[Na+].O[As](O)(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C16H13AsN2O11S2.2Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: GLYCERYL ARACHIDO- NATE
cas: 35474-99-8
chebiid: CHEBI:75612
chemspiderid: 4445452
formula: C23H38O4
inchikey: DCPCOKIYJYGMDN-DOFZRALJSA-N
norman_susdat_id: NS00013687
pubchem_cid: 5282281
smiles: CCCCC/C=CCC=C/C/C=CCC=C/CCCC(=O)OCC(O)CO
inchi:
InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-


name: Corianin
cas: 35481-77-7
chemspiderid: 148408
dtxsid: DTXSID30956884
formula: C15H18O6
inchikey: IKTUZVAVHCTHSU-UHFFFAOYSA-N
norman_susdat_id: NS00067885
pubchem_cid: 169700
inchi:
InChI=1S/C15H18O6/c1-5(2)6-7-12(16)20-8(6)9-13(3)14(17,4-19-9)10-11(21-10)15(7,13)18/h6-11,17-18H,1,4H2,2-3H3


name: Moxifloxacin
cas: 354812-41-2
chebiid: CHEBI:63611
chemspiderid: 134802
dtxsid: DTXSID3048491
formula: C21H24F1N3O4
inchikey: FABPRXSRWADJSP-MEDUHNTESA-N
norman_susdat_id: NS00000171
pubchem_cid: 152946
smiles: COC1=C2C(=CC(=C1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
inchi:
InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1


name: Balicatib
cas: 354813-19-7
dtxsid: DTXSID10188989
formula: C23H33N5O2
inchikey: LLCRBOWRJOUJAE-UHFFFAOYSA-N
norman_susdat_id: NS00069660
pubchem_cid: 10201696
smiles: CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1
inchi:
InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)


name: Perfluorohexadecane
cas: 355-49-7
chemspiderid: 61054
dtxsid: DTXSID40188997
formula: C16F34
inchikey: AQPUCGPFMVEJGS-UHFFFAOYSA-N
norman_susdat_id: NS00018985
pubchem_cid: 67735
inchi:
InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50

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


name: Perfluorohexadecyl iodide
cas: 355-50-0
chemspiderid: 61055
dtxsid: DTXSID5059878
formula: C16F33I1
inchikey: LEILRZKFWLKYCT-UHFFFAOYSA-N
norman_susdat_id: NS00011184
pubchem_cid: 67736
inchi:
InChI=1S/C16F33I/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50

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


name: 1h,1h-perfluorohexyl p-toluenesulfonate
cas: 355-77-1
dtxsid: DTXSID60382071
formula: C13H9F11O3S
inchikey: HDIPCCMMPQAPRF-UHFFFAOYSA-N
norman_susdat_id: NS00110878
smiles: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H9F11O3S/c1-7-2-4-8(5-3-7)28(25,26)27-6-9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h2-5H,6H2,1H3


name: Tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphate
cas: 355-86-2
chemspiderid: 2058303
dtxsid: DTXSID30880130
formula: C15H9F24O4P1
inchikey: BSOLVVCARHZLMT-UHFFFAOYSA-N
norman_susdat_id: NS00011217
pubchem_cid: 2778037
smiles: P(=O)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C15H9F24O4P/c16-4(17)10(28,29)13(34,35)7(22,23)1-41-44(40,42-2-8(24,25)14(36,37)11(30,31)5(18)19)43-3-9(26,27)15(38,39)12(32,33)6(20)21/h4-6H,1-3H2


name: 2-hydroxyhept-4-oxybenzophenone
cas: 3550-43-4
dtxsid: DTXSID90956901
formula: C20H24O3
inchikey: HRFNCVKOUIZYTL-UHFFFAOYSA-N
norman_susdat_id: NS00048429
pubchem_cid: 77090
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCCCCCC)C=C2O
inchi:
InChI=1/C20H24O3/c1-2-3-4-5-9-14-23-17-12-13-18(19(21)15-17)20(22)16-10-7-6-8-11-16/h6-8,10-13,15,21H,2-5,9,14H2,1H3


cas: 355009-66-4
dtxsid: DTXSID50882878
norman_susdat_id: NS00110652
name:
Hexane, 1,6-diisocyanato-, homopolymer, 1,1,2,2,3,3,4,4,4,-nonafluoro-N-(2-hydroxyethyl)-N-methyl-1-butanesulfonamide- and stearyl alcohol-blocked


name: 1-ethyl-6-methyl-2-[[5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium
cas: 35501-73-6
dtxsid: DTXSID80189004
formula: C24H27N2O3S2
inchikey: WZUVGBPLPGVISO-UHFFFAOYSA-N
norman_susdat_id: NS00059219
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C(SC2=CC=C(C=C21)C)=CC3=CC=C4C=C(C=CC4=[N+]3CC)C
inchi:
InChI=1/C24H26N2O3S2/c1-4-25-20(9-8-19-14-17(2)6-10-21(19)25)16-24-26(12-5-13-31(27,28)29)22-15-18(3)7-11-23(22)30-24/h6-11,14-16H,4-5,12-13H2,1-3H3


name: Eprotirome
cas: 355129-15-6
dtxsid: DTXSID00189021
formula: C18H17Br2NO5
inchikey: VPCSYAVXDAUHLT-UHFFFAOYSA-N
norman_susdat_id: NS00068505
pubchem_cid: 10299876
smiles: CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O
inchi:
InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)


name: Rotigaptide
cas: 355151-12-1
formula: C28H39N7O9
inchikey: GFJRASPBQLDRRY-TWTQBQJDSA-N
norman_susdat_id: NS00071051
pubchem_cid: 9938933
inchi:
InChI=1S/C28H39N7O9/c1-15(25(41)30-12-23(29)39)32-24(40)13-31-26(42)22-11-19(38)14-35(22)28(44)21-4-3-9-34(21)27(43)20(33-16(2)36)10-17-5-7-18(37)8-6-17/h5-8,15,19-22,37-38H,3-4,9-14H2,1-2H3,(H2,29,39)(H,30,41)(H,31,42)(H,32,40)(H,33,36)/t15-,19+,20-,21-,22-/m1/s1

smiles:
CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCC(=O)N[C@H](C)C(=O)NCC(N)=O


name: Ethyl 11-cyclopent-2-enylundecanoate
cas: 3552-12-3
dtxsid: DTXSID00956917
formula: C18H32O2
inchikey: IXHZJQBOONNARJ-UHFFFAOYSA-N
norman_susdat_id: NS00049122
pubchem_cid: 19082
smiles: O=C(OCC)CCCCCCCCCCC1C=CCC1
inchi:
InChI=1/C18H32O2/c1-2-20-18(19)16-10-8-6-4-3-5-7-9-13-17-14-11-12-15-17/h11,14,17H,2-10,12-13,15-16H2,1H3


name: Saxitoxin
cas: 35523-89-8
chemspiderid: 34114
dtxsid: DTXSID3074313
formula: C10H17N7O4
inchikey: RPQXVSUAYFXFJA-UHFFFAOYSA-N
norman_susdat_id: NS00001750
pubchem_cid: 23640206
smiles: NC(=O)OCC1N=C(N)N2CCC(O)(O)C22N=C(N)NC12
inchi:
InChI=1S/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)


name: N1-[2-(Benzyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
cas: 3554-93-6
chemspiderid: 105590
formula: C15H21N1O6
inchikey: SKOZFDIGKDPQBO-UHFFFAOYSA-N
norman_susdat_id: NS00018715
pubchem_cid: 561184
smiles: CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)O
inchi:
InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)


name: 1,4-Cyclohexanedimethanol, dibenzoate
cas: 35541-81-2
chemspiderid: 105675
dtxsid: DTXSID7041251
formula: C22H24O4
inchikey: CVPZXHCZKMFVOZ-UHFFFAOYSA-N
norman_susdat_id: NS00020081
pubchem_cid: 118244
smiles: O=C(OCC1CCC(COC(=O)C2=CC=CC=C2)CC1)C1=CC=CC=C1
inchi:
InChI=1S/C22H24O4/c23-21(19-7-3-1-4-8-19)25-15-17-11-13-18(14-12-17)16-26-22(24)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2/t17-,18+


name: 5-methoxyuridine
cas: 35542-01-9
chebiid: CHEBI:20601
dtxsid: DTXSID10956928
formula: C10H14N2O7
inchikey: ZXIATBNUWJBBGT-JXOAFFINSA-N
norman_susdat_id: NS00059240
pubchem_cid: 1265899
smiles: O=C1NC(=O)N(C=C1OC)C2OC(CO)C(O)C2O
inchi:
InChI=1/C10H14N2O7/c1-18-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)19-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)


name: 1-[3-(2,4,6-trimethoxybenzoyl)propyl]pyrrolidinium chloride
cas: 35543-24-9
formula: C17H25NO4.ClH
inchikey: ZDPACSAHMZADFZ-UHFFFAOYSA-N
norman_susdat_id: NS00089041
smiles: [Cl-].COc1cc(OC)c(C(=O)CCC[NH+]2CCCC2)c(OC)c1
inchi:
InChI=1/C17H25NO4.ClH/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18;/h11-12H,4-10H2,1-3H3;1H


name: 4-nitrophenyl N-[(benzyloxy)carbonyl]-L-tyrosinate
cas: 3556-56-7
formula: C23H21N2O7
inchikey: WUHIFOXZYIQZFP-NRFANRHFSA-N
norman_susdat_id: NS00049124
pubchem_cid: 11102156
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(O)C=C3
inchi:
InChI=1/C23H20N2O7/c26-19-10-6-16(7-11-19)14-21(24-23(28)31-15-17-4-2-1-3-5-17)22(27)32-20-12-8-18(9-13-20)25(29)30/h1-13,21,26H,14-15H2,(H,24,28)


cas: 35565-06-1
chemspiderid: 19975827
dtxsid: DTXSID40189045
formula: C17H18N2O7S2
inchikey: QLTVFUALEDMAKL-IAGOWNOFSA-N
norman_susdat_id: NS00029876
pubchem_cid: 56842799
smiles: COC1(NC(=O)Cc2cccs2)C2SCC(=C(N2C1=O)C(=O)O)COC(=O)C
name:
(6R-cis)-3-(Acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)/t16-,17+/m0/s1


name: Octadecanamide, N-(3-aminopropyl)-
cas: 35567-30-7
chemspiderid: 106195
dtxsid: DTXSID9067930
formula: C21H44N2O1
inchikey: YTJWICLLALFBPN-UHFFFAOYSA-N
norman_susdat_id: NS00029877
pubchem_cid: 118842
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN
inchi:
InChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h2-20,22H2,1H3,(H,23,24)


cas: 35574-16-4
dtxsid: DTXSID80189049
formula: C29H29N2O4S2
inchikey: VJWNCYZOZWZRNV-UHFFFAOYSA-N
norman_susdat_id: NS00057763
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC(=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)C
name:
3-ethyl-2-[2-methyl-3-[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium

inchi:
InChI=1/C29H28N2O4S2/c1-3-30-25-20-23(22-10-5-4-6-11-22)14-15-26(25)35-28(30)18-21(2)19-29-31(16-9-17-37(32,33)34)24-12-7-8-13-27(24)36-29/h4-8,10-15,18-20H,3,9,16-17H2,1-2H3


name: Cp-271485
cas: 35580-46-2
formula: C19H20N2O4S
inchikey: CIUMOGWIMXNXSQ-GOSISDBHSA-N
norman_susdat_id: NS00070243
pubchem_cid: 448940
smiles: CN1c2ccc([C@H]3CN(Cc4ccccc4)C(=O)CO3)cc2CS1(=O)=O
inchi:
InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1


name: 9-(Nonafluorobutyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-one
cas: 355822-08-1
dtxsid: DTXSID10896734
formula: C19H14F9NO2
inchikey: QIXJBQLHXCUZTC-UHFFFAOYSA-N
norman_susdat_id: NS00109450
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(=O)Oc2c3CCCN4CCCc(cc12)c34
inchi:
InChI=1S/C19H14F9NO2/c20-16(21,17(22,23)18(24,25)19(26,27)28)12-8-13(30)31-15-10-4-2-6-29-5-1-3-9(14(10)29)7-11(12)15/h7-8H,1-6H2


name: Bilanafos
cas: 35597-43-4
chebiid: CHEBI:3088
chemspiderid: 4575372
dtxsid: DTXSID5058066
formula: C11H22N3O6P1
inchikey: GINJFDRNADDBIN-FXQIFTODSA-N
norman_susdat_id: NS00011749
pubchem_cid: 5462314
smiles: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N
inchi:
InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1


name: Ditetradecyl sulphide
cas: 35599-83-8
chemspiderid: 85701
dtxsid: DTXSID40189065
formula: C28H58S1
inchikey: OCTONCPZMJYQLP-UHFFFAOYSA-N
norman_susdat_id: NS00029883
pubchem_cid: 94980
smiles: CCCCCCCCCCCCCCSCCCCCCCCCCCCCC
inchi:
InChI=1S/C28H58S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: Fluocinonide
cas: 356-12-7
chebiid: CHEBI:5109
chemspiderid: 9265
dtxsid: DTXSID8045307
formula: C26H32F2O7
inchikey: WJOHZNCJWYWUJD-IUGZLZTKSA-N
norman_susdat_id: NS00001330
pubchem_cid: 9642
inchi:
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

smiles:
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C


name: p-nitrophenyl S-benzyl-N-(tert-butoxycarbonyl)-L-cysteinate
cas: 3560-17-6
formula: C21H25N2O6S
inchikey: DEQZTANESNRFKU-SFHVURJKSA-N
norman_susdat_id: NS00049784
pubchem_cid: 98762
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])CSCC=2C=CC=CC2
inchi:
InChI=1/C21H24N2O6S/c1-21(2,3)29-20(25)22-18(14-30-13-15-7-5-4-6-8-15)19(24)28-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)


name: Cholest-5-en-3-yl octadecanoate
cas: 35602-69-8
chemspiderid: 4192541
dtxsid: DTXSID20407517
formula: C45H80O2
inchikey: XHRPOTDGOASDJS-UHFFFAOYSA-N
norman_susdat_id: NS00013462
pubchem_cid: 5013207
inchi:
InChI=1S/C45H80O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h26,35-36,38-42H,7-25,27-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1

smiles:
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C


name: 4-((Perfluorohexyl)ethyl)phenylmethanol
cas: 356055-76-0
chemspiderid: 11575130
dtxsid: DTXSID90583413
formula: C15H11F13O1
inchikey: ZLZILVFJEAYPNQ-UHFFFAOYSA-N
norman_susdat_id: NS00018994
pubchem_cid: 16211365
smiles: OCC1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C15H11F13O/c16-10(17,6-5-8-1-3-9(7-29)4-2-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-4,29H,5-7H2


name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl]methanol
cas: 356055-77-1
chemspiderid: 11575109
dtxsid: DTXSID60583425
formula: C17H11F17O1
inchikey: CQOQAOKSHAECHG-UHFFFAOYSA-N
norman_susdat_id: NS00018995
pubchem_cid: 16211438
smiles: OCC1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C17H11F17O/c18-10(19,6-5-8-1-3-9(7-35)4-2-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4,35H,5-7H2


name: Di(propan-2-yl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 356056-14-9
dtxsid: DTXSID50583338
formula: C14H19F13Si
inchikey: VIGKXSZWCIUYJE-UHFFFAOYSA-N
norman_susdat_id: NS00110562
smiles: CC(C)[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
inchi:
InChI=1S/C14H19F13Si/c1-7(2)28(8(3)4)6-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8,28H,5-6H2,1-4H3


name: ((Perfluorooctyl)ethyl)di(propan-2-yl)silane
cas: 356056-15-0
dtxsid: DTXSID10583354
formula: C16H19F17Si
inchikey: BFRDVGYAJGMBJI-UHFFFAOYSA-N
norman_susdat_id: NS00109176
smiles: CC(C)[SiH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C
inchi:
InChI=1S/C16H19F17Si/c1-7(2)34(8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8,34H,5-6H2,1-4H3


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)di(propan-2-yl)silane
cas: 356056-16-1
dtxsid: DTXSID10895540
formula: C18H19F21Si
inchikey: RUODWQBAJXCKCP-UHFFFAOYSA-N
norman_susdat_id: NS00109349
smiles: CC(C)[SiH](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)C(C)C
inchi:
InChI=1S/C18H19F21Si/c1-7(2)40(8(3)4)6-5-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h7-8,40H,5-6H2,1-4H3


name: Darapladib
cas: 356057-34-6
dtxsid: DTXSID70189073
formula: C36H38F4N4O2S
inchikey: WDPFJWLDPVQCAJ-UHFFFAOYSA-N
norman_susdat_id: NS00069388
pubchem_cid: 9939609
smiles: CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2
inchi:
InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3


name: N-Desethyl Sunitinib
cas: 356068-97-8
chemspiderid: 8468042
dtxsid: DTXSID10437828
formula: C20H23F1N4O2
inchikey: LIZNIAKSBJKPQC-UHFFFAOYSA-N
norman_susdat_id: NS00003869
pubchem_cid: 67984615
smiles: CCNCCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C
inchi:
InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)


name: 3-(1-methyl-1H-pyrrol-2-yl)pyridine, compound with picric acid (1:2)
cas: 35607-18-2
formula: C10H10N2.2C6H3N3O7
inchikey: HELAHJDQQYICFO-UHFFFAOYSA-N
norman_susdat_id: NS00089237
inchi:
InChI=1/C10H10N2.2C6H3N3O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;2*1-2,10H

smiles:
Cn1cccc1c2cccnc2.Oc3c(cc(cc3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Oc4c(cc(cc4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid monohydrochloride
cas: 35607-36-4
chebiid: CHEBI:59790
formula: C28H28N2O2.ClH
inchikey: VMIZTXDGZPTKIK-UHFFFAOYSA-N
norman_susdat_id: NS00089043
smiles: Cl.OC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c3ccccc3)CC1)c4ccccc4
inchi:
InChI=1/C28H28N2O2.ClH/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;/h1-15H,16-21H2,(H,31,32);1H


name: Cefoxitin
cas: 35607-66-0
chebiid: CHEBI:209807
chemspiderid: 389981
dtxsid: DTXSID1022764
formula: C16H17N3O7S2
inchikey: WZOZEZRFJCJXNZ-ZBFHGGJFSA-N
norman_susdat_id: NS00004232
pubchem_cid: 441199
smiles: CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C16H17N3O7S2/c1-25-16(18-10(20)5-9-3-2-4-27-9)13(23)19-11(12(21)22)8(6-26-15(17)24)7-28-14(16)19/h2-4,14H,5-7H2,1H3,(H2,17,24)(H,18,20)(H,21,22)/t14-,16+/m1/s1


name: (+)-(1-methylpyrrolidin-2-yl)methyl bis(4-chlorophenoxy)acetate hydrochloride
cas: 35609-19-9
formula: C20H21Cl2NO4
inchikey: YGENWOBCNLXMJO-UHFFFAOYSA-N
norman_susdat_id: NS00058197
pubchem_cid: 10319363
smiles: Cl.O=C(OCC1N(C)CCC1)C(OC2=CC=C(Cl)C=C2)OC3=CC=C(Cl)C=C3
inchi:
InChI=1/C20H21Cl2NO4.ClH/c1-23-12-2-3-16(23)13-25-19(24)20(26-17-8-4-14(21)5-9-17)27-18-10-6-15(22)7-11-18;/h4-11,16,20H,2-3,12-13H2,1H3;1H


name: N-[N-[(phenylmethoxy)carbonyl]glycyl]-L-methionine
cas: 3561-48-6
formula: C15H20N2O5S
inchikey: JXQGLWUIDPXMHD-LBPRGKRZSA-N
norman_susdat_id: NS00049147
pubchem_cid: 99046
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)NC(C(=O)O)CCSC
inchi:
InChI=1/C15H20N2O5S/c1-23-8-7-12(14(19)20)17-13(18)9-16-15(21)22-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)


name: 4-nitrophenyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosinate
cas: 3562-03-6
dtxsid: DTXSID80189089
formula: C30H27N2O7
inchikey: NHTWLOMKUANJOW-NDEPHWFRSA-N
norman_susdat_id: NS00049785
pubchem_cid: 13890447
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(OCC=4C=CC=CC4)C=C3
inchi:
InChI=1/C30H26N2O7/c33-29(39-27-17-13-25(14-18-27)32(35)36)28(31-30(34)38-21-24-9-5-2-6-10-24)19-22-11-15-26(16-12-22)37-20-23-7-3-1-4-8-23/h1-18,28H,19-21H2,(H,31,34)


name: Heliotrope B
cas: 3562-38-7
chemspiderid: 109481
dtxsid: DTXSID10189092
formula: C26H32N4
inchikey: OVYHWGDANKJLIW-UHFFFAOYSA-M
norman_susdat_id: NS00029888
pubchem_cid: 122816
smiles: [Cl-].CCN(CC)C1=C[CH+]c2nc3ccc(cc3n(c3ccccc3)c2=C1)N(CC)CC
inchi:
InChI=1S/C26H32N4/c1-5-28(6-2)21-14-16-23-25(18-21)30(20-12-10-9-11-13-20)26-19-22(29(7-3)8-4)15-17-24(26)27-23/h9-16,18-19H,5-8,17H2,1-4H3


name: Piprocurarium iodide
cas: 3562-55-8
dtxsid: DTXSID60956993
formula: C23H40N2O3
inchikey: RFWPUUOBQMRONB-UHFFFAOYSA-L
norman_susdat_id: NS00049148
pubchem_cid: 24418
smiles: [I-].[I-].O=C(OCCOCC[N+](C)(CC)CC)C(C=1C=CC=CC1)[N+]2(C)CCCCC2
inchi:
InChI=1/C23H40N2O3.2HI/c1-5-24(3,6-2)17-18-27-19-20-28-23(26)22(21-13-9-7-10-14-21)25(4)15-11-8-12-16-25;;/h7,9-10,13-14,22H,5-6,8,11-12,15-20H2,1-4H3;2*1H/q+2;;/p-2


name: MEGESTROL
cas: 3562-63-8
chemspiderid: 18023
formula: C22H30O3
inchikey: VXIMPSPISRVBPZ-UHFFFAOYSA-N
norman_susdat_id: NS00014345
pubchem_cid: 4474932
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1


name: Benzbromarone
cas: 3562-84-3
chebiid: CHEBI:3023
chemspiderid: 2243
dtxsid: DTXSID4022652
formula: C17H12Br2O3
inchikey: WHQCHUCQKNIQEC-UHFFFAOYSA-N
norman_susdat_id: NS00001815
pubchem_cid: 2333
smiles: CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3


name: Menbutone
cas: 3562-99-0
chebiid: CHEBI:135064
chemspiderid: 64842
dtxsid: DTXSID8046240
formula: C15H14O4
inchikey: FHGJSJFIQNQBCK-UHFFFAOYSA-N
norman_susdat_id: NS00022089
pubchem_cid: 71818
smiles: COc1ccc(C(=O)CCC(=O)O)c2ccccc12
inchi:
InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)


name: Octadecanamide, N-(2-hydroxypropyl)-
cas: 35627-96-4
chemspiderid: 105678
dtxsid: DTXSID90885626
formula: C21H43N1O2
inchikey: QCTVGFNUKWXQNN-UHFFFAOYSA-N
norman_susdat_id: NS00014106
pubchem_cid: 118247
smiles: CCCCCCCCCCCCCCCCCC(=O)NCC(C)O
inchi:
InChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h20,23H,3-19H2,1-2H3,(H,22,24)


name: Aprofene
cas: 3563-01-7
chemspiderid: 64276
dtxsid: DTXSID8046294
formula: C21H27NO2
inchikey: DIDYGLSKVUKRRP-UHFFFAOYSA-N
norman_susdat_id: NS00113978
pubchem_cid: 71128
smiles: CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3


name: Sulfasuccinamide
cas: 3563-14-2
chemspiderid: 54610
dtxsid: DTXSID5046275
formula: C10H12N2O5S1
inchikey: RXXXPZYBZLDQKP-UHFFFAOYSA-N
norman_susdat_id: NS00029889
pubchem_cid: 60582
smiles: NS(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
inchi:
InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)


name: Estra-1,3,5(10),7-tetraene-3,17ß-diol
cas: 3563-27-7
chebiid: CHEBI:62851
formula: C18H22O2
inchikey: NLLMJANWPUQQTA-UBDQQSCGSA-N
norman_susdat_id: NS00083465
smiles: C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
inchi:
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3


name: 1-[2-(2-benzylphenoxy)-1-methylethyl]piperidinium dihydrogen phosphate
cas: 3563-76-6
formula: C21H27NO.xH3O4P
inchikey: MCVUURBOSHQXMK-UHFFFAOYSA-L
norman_susdat_id: NS00083822
smiles: CC(COc1ccccc1Cc2ccccc2)[NH+]3CCCCC3.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)/p-2


name: Furfurylamine, α-benzyl-N-ethyl-tetrahydro-, D-threo-
cas: 3563-92-6
chemspiderid: 64277
dtxsid: DTXSID20912313
formula: C14H21NO
inchikey: DOFCLOLKFGSRTG-ZIAGYGMSSA-N
norman_susdat_id: NS00114033
pubchem_cid: 71129
smiles: [H][C@@]1(CCCO1)[C@@H](CC1=CC=CC=C1)NCC
inchi:
InChI=1S/C14H21NO/c1-2-15-13(14-9-6-10-16-14)11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3/t13-,14-/m1/s1


name: 4,4'-Bis[(4-anilino-6-methylamino-s-triazin-2-yl)amino]-2,2'-stilbenedisulfonic acid
cas: 35632-99-6
chemspiderid: 4944326
dtxsid: DTXSID9067932
formula: C34H32N12O6S2
inchikey: VSNAWXHIKBJFHM-UHFFFAOYSA-N
norman_susdat_id: NS00029890
pubchem_cid: 147401
smiles: CNc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3c(cc(Nc4nc(Nc5ccccc5)nc(NC)n4)cc3)S(=O)(=O)O)c(c2)S(=O)(=O)O)n1
inchi:
InChI=1S/C34H32N12O6S2/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46)/b14-13+


cas: 35636-63-6
chemspiderid: 105681
dtxsid: DTXSID10865783
formula: C21H19N5O7
inchikey: KEZJTZQNDCLRDB-UHFFFAOYSA-N
norman_susdat_id: NS00008679
pubchem_cid: 118250
smiles: COC(=O)c1ccc(C(=O)OC)c(c1)N=NC(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
name:
1,4-Benzenedicarboxylic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-, 1,4-dimethyl ester

inchi:
InChI=1S/C21H19N5O7/c1-10(27)17(18(28)22-12-5-7-14-16(9-12)24-21(31)23-14)26-25-15-8-11(19(29)32-2)4-6-13(15)20(30)33-3/h4-9,17H,1-3H3,(H,22,28)(H2,23,24,31)


name: Ponceau 3R
cas: 3564-09-8
chebiid: CHEBI:176136
chemspiderid: 16735975
dtxsid: DTXSID7021231
formula: C19H18N2O7S2
inchikey: SWPPXVFKWWEYSV-SERMZQFOSA-L
norman_susdat_id: NS00020802
pubchem_cid: NA
smiles: [Na+].[Na+].Cc1cc(C)c(N/N=C2/C(=O)C(=Cc3c2ccc(c3)S(=O)(=O)[O-])S(=O)(=O)[O-])cc1C
inchi:
InChI=1S/C19H18N2O7S2/c1-10-6-12(3)16(7-11(10)2)20-21-18-15-5-4-14(29(23,24)25)8-13(15)9-17(19(18)22)30(26,27)28/h4-9,20H,1-3H3,(H,23,24,25)(H,26,27,28)/b21-18+


name: Sodium 3-hydroxy-4-[(1-hydroxy-2-naphthyl)azo]naphthalene-1-sulphonate
cas: 3564-14-5
formula: C20H14N2O5S.Na
inchikey: HOWITLLZNKSJOJ-UHFFFAOYSA-M
norman_susdat_id: NS00083493
smiles: [Na+].[O-]S(=O)(=O)c3cc(O)c(N=Nc2ccc1ccccc1c2O)c4ccccc34
inchi:
InChI=1/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1


name: Sodium 5-(2,4-diamino-5-(2-hydroxy-5-nitrophenylazo)phenylazo)naphthalene-1-sulphonate
cas: 3564-15-6
dtxsid: DTXSID10883987
formula: C22H18N7O6S
inchikey: KHXQQMBFMDTPSD-UHFFFAOYSA-M
norman_susdat_id: NS00049788
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(O)C(N=NC2=CC(N=NC3=CC=CC=4C3=CC=CC4S(=O)(=O)[O-])=C(N)C=C2N)=C1
inchi:
InChI=1/C22H17N7O6S.Na/c23-15-10-16(24)19(27-28-20-9-12(29(31)32)7-8-21(20)30)11-18(15)26-25-17-5-1-4-14-13(17)3-2-6-22(14)36(33,34)35;/h1-11,30H,23-24H2,(H,33,34,35);/q;+1/p-1


name: Trisodium hydrogen 3,3'-(3H-2,1-benzoxathiol-3-ylidene)bis[6-oxido-5-methylbenzoate S,S-dioxide
cas: 3564-18-9
formula: C23H18O9S.3Na
inchikey: YWHYSJOAKQSHNO-UHFFFAOYSA-M
norman_susdat_id: NS00083494
smiles: CC1=CC(=C(c2cc(C)c(O)c(c2)C(=O)O)c3ccccc3S(=O)(=O)O[Na])C=C(C(=O)O)C1=O
inchi:
InChI=1/C23H18O9S.Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);/q;+1/p-1/rC23H17NaO9S/c1-11-7-13(9-16(20(11)25)22(27)28)19(14-8-12(2)21(26)17(10-14)23(29)30)15-5-3-4-6-18(15)34(31,32)33-24/h3-10,25H,1-2H3,(H,27,28)(H,29,30)


name: Disodium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 3564-21-4
formula: C18H13ClN2O6S.2Na
inchikey: NDEREBNOSVNICA-UHFFFAOYSA-L
norman_susdat_id: NS00083466
smiles: [Na+].[Na+].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O
inchi:
InChI=1/C18H13ClN2O6S.2Na/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(3-nitrophenyl)-
cas: 3564-22-5
chemspiderid: 7850276
dtxsid: DTXSID0063076
formula: C24H17N5O6
inchikey: MCSXGCZMEPXKIW-UHFFFAOYSA-N
norman_susdat_id: NS00020803
pubchem_cid: NA
smiles: Cc1cc(c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(ccc2)[N+](=O)[O-])cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H17N5O6/c1-14-9-10-20(21(11-14)29(34)35)26-27-22-18-8-3-2-5-15(18)12-19(23(22)30)24(31)25-16-6-4-7-17(13-16)28(32)33/h2-13,26H,1H3,(H,25,31)/b27-22-


name: Sodium 3-[(2,4-dihydroxyphenyl)azo]-4-hydroxybenzenesulphonate
cas: 3564-26-9
dtxsid: DTXSID5063077
formula: C12H10N2O6S
inchikey: MOLJFAGWUXDJJC-UHFFFAOYSA-M
norman_susdat_id: NS00048446
pubchem_cid: 76216
smiles: [Na+].O=S(=O)([O-])C1=CC=C(O)C(N=NC2=CC=C(O)C=C2O)=C1
inchi:
InChI=1/C12H10N2O6S.Na/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16;/h1-6,15-17H,(H,18,19,20);/q;+1/p-1


name: Benzoic acid, 2-hydroxy-5-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt
cas: 3564-27-0
chemspiderid: 10483350
dtxsid: DTXSID0063078
formula: C19H14N4O6S1
inchikey: VAPILSUCBNPFBS-UHFFFAOYSA-L
norman_susdat_id: NS00019976
pubchem_cid: 101590375
smiles: OC(=O)C1=CC(=NNc2ccc(cc2)N=Nc2ccc(cc2)S(=O)(=O)O)C=CC1=O
inchi:
InChI=1S/C19H14N4O6S/c24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29/h1-11,22H,(H,25,26)(H,27,28,29)/b21-20?,23-15+


name: Disodium 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate
cas: 3564-28-1
formula: C16H13N4O10S2
inchikey: ZJFCBBBAQGUBFR-UHFFFAOYSA-L
norman_susdat_id: NS00049095
pubchem_cid: NA
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(O)C(N=NC2=C(O)C3=C(N)C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H12N4O10S2.2Na/c17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-5-8(20(23)24)1-2-12(11)21;;/h1-6,21-22H,17H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Disodium dibenzo[b,def]chrysene-7,14-diyl bis(sulphate)
cas: 3564-70-3
dtxsid: DTXSID70957032
formula: C24H14O8S2
inchikey: DLIHJRCWNWWTSF-UHFFFAOYSA-L
norman_susdat_id: NS00048447
pubchem_cid: 77106
smiles: [Na+].[Na+].O=S(=O)([O-])OC=1C=2C=CC=CC2C=3C=CC4=C(OS(=O)(=O)[O-])C=5C=CC=CC5C=6C=CC1C3C46
inchi:
InChI=1/C24H14O8S2.2Na/c25-33(26,27)31-23-17-7-3-1-5-13(17)15-9-11-20-22-16(10-12-19(23)21(15)22)14-6-2-4-8-18(14)24(20)32-34(28,29)30;;/h1-12H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Tris(5-tert-butyl-4-hydroxy-o-tolyl)butane
cas: 35641-51-1
chemspiderid: 2283859
dtxsid: DTXSID10189153
formula: C37H52O3
inchikey: FCDMUZZVRLCTLQ-UHFFFAOYSA-N
norman_susdat_id: NS00029893
pubchem_cid: 3015792
smiles: CCCC(c1cc(c(O)cc1C)C(C)(C)C)(c1cc(c(O)cc1C)C(C)(C)C)c1c(C)cc(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C37H52O3/c1-14-15-37(25-19-28(34(5,6)7)31(38)16-22(25)2,26-20-29(35(8,9)10)32(39)17-23(26)3)27-21-30(36(11,12)13)33(40)18-24(27)4/h16-21,38-40H,14-15H2,1-13H3


cas: 35642-64-9
formula: C20H16ClN9O10S3
inchikey: GFPPLTJOYVDEIS-UHFFFAOYSA-N
norman_susdat_id: NS00089269
smiles: Nc4nc(Nc3cc(NC(N)=O)c(N=Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc3)nc(Cl)n4
name:
7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid

inchi:
InChI=1/C20H16ClN9O10S3/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)(H3,22,24,26,27,28)


name: Pyrvinium
cas: 35648-29-4
chebiid: CHEBI:8687
chemspiderid: 21125
dtxsid: DTXSID2043795
formula: C26H28N3
inchikey: QMHSXPLYMTVAMK-UHFFFAOYSA-N
norman_susdat_id: NS00009068
pubchem_cid: 11980903
smiles: CN(C)c1ccc2[n+](C)c(C=Cc3cc(C)n(c3C)-c3ccccc3)ccc2c1
inchi:
InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1


cas: 35650-01-2
chemspiderid: 106207
dtxsid: DTXSID4067935
formula: C21H21N5O8
inchikey: GTHNVSHMWNWRTL-UHFFFAOYSA-N
norman_susdat_id: NS00029894
pubchem_cid: 118854
smiles: COC(=O)OCCN(CCOC(=O)OC)c1ccc(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]phenyl]-3-oxo-, methyl ester

inchi:
InChI=1S/C21H21N5O8/c1-31-20(27)33-11-9-25(10-12-34-21(28)32-2)17-5-3-16(4-6-17)23-24-19-8-7-18(26(29)30)13-15(19)14-22/h3-8,13H,9-12H2,1-2H3/b24-23-


cas: 35657-77-3
formula: C17H44N3O15P5.xNa
inchikey: DEOACVXVIMRFNH-UHFFFAOYSA-I
norman_susdat_id: NS00089734
smiles: OP(=O)(CN(CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])CCCCCCN(CP(=O)(O)O[Na])CP(=O)(O)O[Na])O[Na]
name:
[[(phosphonomethyl)imino]bis[hexane-6,1-diylnitrilobis(methylene)]]tetrakisphosphonic acid, sodium salt

inchi:
InChI=1/C17H44N3O15P5.5Na/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35;;;;;/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35);;;;;/q;5*+1/p-5/rC17H39N3Na5O15P5/c21-36-41(26,27)13-18(9-5-1-3-7-11-19(14-42(28,29)37-22)15-43(30,31)38-23)10-6-2-4-8-12-20(16-44(32,33)39-24)17-45(34,35)40-25/h1-17H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)


name: FMOC-L-α-alanine
cas: 35661-39-3
chemspiderid: 90464
formula: C18H17N1O4
inchikey: QWXZOFZKSQXPDC-NSHDSACASA-N
norman_susdat_id: NS00015547
pubchem_cid: 6364642
smiles: CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
inchi:
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-phenyl-L-alanine
cas: 35661-40-6
formula: C24H21NO4
inchikey: SJVFAHZPLIXNDH-QFIPXVFZSA-N
norman_susdat_id: NS00059304
pubchem_cid: 978331
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC=4C=CC=CC4
inchi:
InChI=1/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)


name: N-(9-Fluorenylmethoxycarbonyl)-L-leucine
cas: 35661-60-0
chemspiderid: 4157
dtxsid: DTXSID0040751
formula: C21H23N1O4
inchikey: CBPJQFCAFFNICX-IBGZPJMESA-N
norman_susdat_id: NS00015081
pubchem_cid: 1549133
smiles: CC(C)CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
inchi:
InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1


name: 5-chloro-2-[4-chloro-2-[[[(3,4-dichlorophenyl)amino]carbonyl]amino]phenoxy]benzenesulphonate
cas: 3567-25-7
chebiid: CHEBI:59246
chemspiderid: 56283
formula: C19H12Cl4N2O5S1
inchikey: MKUMTCOTMQPYTQ-UHFFFAOYSA-N
norman_susdat_id: NS00004874
pubchem_cid: 62506
smiles: OS(=O)(=O)c1cc(Cl)ccc1Oc1ccc(Cl)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1
inchi:
InChI=1S/C19H12Cl4N2O5S/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12/h1-9H,(H2,24,25,26)(H,27,28,29)


cas: 3567-65-5
dtxsid: DTXSID4036801
formula: C35H26N4O10S3
inchikey: SVSHEAJPDAGGCC-UHFFFAOYSA-L
norman_susdat_id: NS00048516
pubchem_cid: 19115
name:
Disodium 7-hydroxy-8-[[4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C35H26N4O10S3.2Na/c1-22-2-17-30(18-3-22)52(47,48)49-29-15-13-28(14-16-29)37-36-26-9-4-23(5-10-26)24-6-11-27(12-7-24)38-39-35-32(40)19-8-25-20-31(50(41,42)43)21-33(34(25)35)51(44,45)46;;/h2-21,40H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3)C=4C=CC(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)=CC4)=C2C(=C1)S(=O)(=O)[O-]


name: D&C Red No. 33
cas: 3567-66-6
chemspiderid: 7844604
dtxsid: DTXSID1044562
formula: C16H13N3O7S2
inchikey: LQJVOKWHGUAUHK-UHFFFAOYSA-L
norman_susdat_id: NS00019522
pubchem_cid: 102059990
smiles: [Na+].[Na+].Nc1c2c(cc(c1)S(=O)(=O)[O-])C=C(C(=NNc1ccccc1)C2=O)S(=O)(=O)[O-]
inchi:
InChI=1S/C16H13N3O7S2/c17-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)19-18-10-4-2-1-3-5-10/h1-8,18H,17H2,(H,21,22,23)(H,24,25,26)/b19-15+


name: C.I. Acid Red 14
cas: 3567-69-9
chemspiderid: 4588217
dtxsid: DTXSID3021225
formula: C20H14N2O7S2
inchikey: AWSKACICDGMHRL-OQKWZONESA-N
norman_susdat_id: NS00013473
pubchem_cid: 5483632
smiles: [Na+].[Na+].[O-][S](=O)(=O)c1ccc(NN=C2C=C(c3ccccc3C2=O)[S]([O-])(=O)=O)c4ccccc14
inchi:
InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,21H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-17+;;


name: N,N''-propane-1,3-diylbis[N'-octadecylurea]
cas: 35674-65-8
dtxsid: DTXSID6052033
formula: C41H84N4O2
inchikey: UZXKVMHAGOJYHP-UHFFFAOYSA-N
norman_susdat_id: NS00058221
pubchem_cid: 56842857
smiles: O=C(NCCCNC(=O)NCCCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-40(46)44-38-35-39-45-41(47)43-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H2,42,44,46)(H2,43,45,47)


name: Zinc bis[12-hydroxyoctadecanoate]
cas: 35674-68-1
dtxsid: DTXSID50890832
formula: C36H70O6Zn
inchikey: FRZSCIVUSFMNBX-UHFFFAOYSA-L
norman_susdat_id: NS00074341
smiles: [Zn++].CCCCCCC(O)CCCCCCCCCCC([O-])=O.CCCCCCC(O)CCCCCCCCCCC([O-])=O
inchi:
InChI=1/2C18H36O3.Zn/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2


name: 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one
cas: 35675-66-2
chemspiderid: 107400
dtxsid: DTXSID00189182
formula: C20H16O3
inchikey: TWNIXJJSBDRPSN-UHFFFAOYSA-N
norman_susdat_id: NS00029897
pubchem_cid: 120307
smiles: Cc1c(O)ccc(c1)C(=C1C=CC(=O)C=C1)c1ccc(O)cc1
inchi:
InChI=1S/C20H16O3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,21,23H,1H3


name: Methyltrioctylammonium iodide
cas: 35675-86-6
dtxsid: DTXSID00957060
formula: C25H54N
inchikey: AMUCTDNDAXEAOW-UHFFFAOYSA-M
norman_susdat_id: NS00057835
pubchem_cid: 3015796
smiles: [I-].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C25H54N.HI/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1


name: Mebutizide
cas: 3568-00-1
chebiid: CHEBI:135597
formula: C13H20ClN3O4S2
inchikey: KJLLKLRVCJAFRY-UHFFFAOYSA-N
norman_susdat_id: NS00048517
pubchem_cid: 71652
smiles: O=S(=O)(N)C=1C=C2C(=CC1Cl)NC(NS2(=O)=O)C(C)C(C)CC
inchi:
InChI=1/C13H20ClN3O4S2/c1-4-7(2)8(3)13-16-10-5-9(14)11(22(15,18)19)6-12(10)23(20,21)17-13/h5-8,13,16-17H,4H2,1-3H3,(H2,15,18,19)


name: Propiomazine hydrogen maleate
cas: 3568-23-8
formula: C20H24N2OS.C4H4O4
inchikey: ILEKKZUHFYUQIE-UHFFFAOYSA-N
norman_susdat_id: NS00083854
smiles: OC(=O)C=CC(O)=O.CCC(=O)c1cc2N(CC(C)N(C)C)c3ccccc3Sc2cc1
inchi:
InChI=1/C20H24N2OS.C4H4O4/c1-5-18(23)15-10-11-20-17(12-15)22(13-14(2)21(3)4)16-8-6-7-9-19(16)24-20;5-3(6)1-2-4(7)8/h6-12,14H,5,13H2,1-4H3;1-2H,(H,5,6)(H,7,8)


name: Propionylpromazine
cas: 3568-24-9
chemspiderid: 22768
dtxsid: DTXSID3046950
formula: C20H24N2O1S1
inchikey: ZQTVCQIJTREKSP-UHFFFAOYSA-N
norman_susdat_id: NS00004016
pubchem_cid: 24352
smiles: CCC(=O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
inchi:
InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3


name: Sulfamethoxypyridazine acetyl
cas: 3568-43-2
chemspiderid: 18043
dtxsid: DTXSID60189183
formula: C13H14N4O4S1
inchikey: PRQPWOFXPDTCSM-UHFFFAOYSA-N
norman_susdat_id: NS00003313
pubchem_cid: 19122
smiles: COc1ccc(nn1)N(C(C)=O)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C13H14N4O4S/c1-9(18)17(12-7-8-13(21-2)16-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3


cas: 35689-59-9
inchikey: JZNAMZVXOYKVJJ-UHFFFAOYSA-N
norman_susdat_id: NS00078299
smiles: OC(=O)c1cc(ccc1O)S(O)(=O)=O.CC1C2C(O)C3C(N(C)C)C(O)=C(C(N)=O)C(=O)C3(O)C(O)=C2C(=O)c2c(O)cccc12
name:
Benzoic acid, 2-hydroxy-5-sulfo-, compd. with [4S-(4α,4aα,5α,5aα,6α,12aα)]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide


name: 1,1'-fluoranthene-3,9-diylbis[2-(dimethylamino)ethan-1-one] dihydrochloride
cas: 35689-81-7
dtxsid: DTXSID30957078
formula: C24H24N2O2
inchikey: GHEVSMQHYHJBEK-UHFFFAOYSA-N
norman_susdat_id: NS00058794
pubchem_cid: 21155930
smiles: Cl.Cl.O=C(C1=CC=C2C=3C=CC=C4C(=CC=C(C2=C1)C34)C(=O)CN(C)C)CN(C)C
inchi:
InChI=1/C24H24N2O2.2ClH/c1-25(2)13-22(27)15-8-9-16-18-6-5-7-19-17(23(28)14-26(3)4)10-11-20(24(18)19)21(16)12-15;;/h5-12H,13-14H2,1-4H3;2*1H


name: Naphth[2,3-c]acridine-5,8,14(13H)-trione
cas: 3569-01-5
dtxsid: DTXSID9063083
formula: C21H11NO3
inchikey: BARVYLKNIVAHDY-UHFFFAOYSA-N
norman_susdat_id: NS00049202
pubchem_cid: 77114
smiles: O=C1C=2C=CC=CC2NC=3C1=CC=C4C(=O)C=5C=CC=CC5C(=O)C43
inchi:
InChI=1/C21H11NO3/c23-19-11-5-1-2-6-12(11)21(25)17-14(19)9-10-15-18(17)22-16-8-4-3-7-13(16)20(15)24/h1-10H,(H,22,24)


name: 3-(4-carboxyphenyl)-2,3-dihydro-1,1,3-trimethyl-1H-indene-5-carboxylic acid
cas: 3569-18-4
dtxsid: DTXSID90957079
formula: C20H20O4
inchikey: CDZMWAHBQLPCHD-UHFFFAOYSA-N
norman_susdat_id: NS00049203
pubchem_cid: 107125
smiles: O=C(O)C1=CC=C(C=C1)C2(C3=CC(=CC=C3C(C)(C)C2)C(=O)O)C
inchi:
InChI=1/C20H20O4/c1-19(2)11-20(3,14-7-4-12(5-8-14)17(21)22)16-10-13(18(23)24)6-9-15(16)19/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)


name: 2,6-bis[2-(dimethylamino)ethoxy]anthraquinone dihydrochloride
cas: 35697-44-0
dtxsid: DTXSID90189212
formula: C22H26N2O4
inchikey: LTBMUOPERCPWON-UHFFFAOYSA-N
norman_susdat_id: NS00057755
pubchem_cid: 16205088
smiles: Cl.Cl.O=C1C2=CC=C(OCCN(C)C)C=C2C(=O)C3=CC=C(OCCN(C)C)C=C13
inchi:
InChI=1/C22H26N2O4.2ClH/c1-23(2)9-11-27-15-5-7-17-19(13-15)21(25)18-8-6-16(14-20(18)22(17)26)28-12-10-24(3)4;;/h5-8,13-14H,9-12H2,1-4H3;2*1H


name: (5a)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-one hydrochloride
cas: 357-07-3
chebiid: CHEBI:7866
formula: C17H19NO4.ClH
inchikey: BCGJBQBWUGVESK-KCTCKCTRSA-N
norman_susdat_id: NS00079184
smiles: Cl.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35
inchi:
InChI=1/C17H19NO4.ClH/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;1H


name: Dextromoramide
cas: 357-56-2
chemspiderid: 9269
dtxsid: DTXSID8022909
formula: C25H32N2O2
inchikey: INUNXTSAACVKJS-UHFFFAOYSA-N
norman_susdat_id: NS00005504
pubchem_cid: 9648
smiles: CC(CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3


name: Brucine
cas: 357-57-3
chebiid: CHEBI:91694
chemspiderid: 9270
dtxsid: DTXSID2024662
formula: C23H26N2O4
inchikey: RRKTZKIUPZVBMF-PLNGPGDESA-N
norman_susdat_id: NS00003564
pubchem_cid: 9649
smiles: COc1cc2N3C4[C@@H]5C(CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC
inchi:
InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18?,19-,21-,22?,23+/m0/s1


name: Phetharbital
cas: 357-67-5
chebiid: CHEBI:135070
chemspiderid: 9271
dtxsid: DTXSID30189216
formula: C14H16N2O3
inchikey: ILORKHQGIMGDFN-UHFFFAOYSA-N
norman_susdat_id: NS00029912
pubchem_cid: 9650
smiles: CCC1(CC)C(=O)NC(=O)N(C1=O)c1ccccc1
inchi:
InChI=1S/C14H16N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,17,19)


name: Galanthamine
cas: 357-70-0
chebiid: CHEBI:42944
chemspiderid: 9272
dtxsid: DTXSID2045606
formula: C17H21N1O3
inchikey: ASUTZQLVASHGKV-JDFRZJQESA-N
norman_susdat_id: NS00003061
pubchem_cid: 9651
smiles: COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
inchi:
InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1


name: Carboprost | Tham
cas: 35700-23-3
dtxsid: DTXSID20860522
formula: C21H36O5
inchikey: DLJKPYFALUEJCK-WJDSMEDOSA-N
norman_susdat_id: NS00071803
pubchem_cid: 35023177
smiles: CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=CCCCC(=O)O
inchi:
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19+,21+/m1/s1


name: Oleyl methanesulphonate
cas: 35709-09-2
dtxsid: DTXSID00885632
formula: C19H38O3S
inchikey: SFCVHVDJESFESU-KHPPLWFESA-N
norman_susdat_id: NS00058795
pubchem_cid: 6016198
smiles: O=S(=O)(OCCCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C19H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(2,20)21/h10-11H,3-9,12-19H2,1-2H3


cas: 35709-15-0
dtxsid: DTXSID40896686
formula: C16H2F30
inchikey: CQYGHSAZXARHMT-OWOJBTEDSA-N
norman_susdat_id: NS00110477
name:
(8E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Triacontafluorohexadec-8-ene

inchi:
InChI=1S/C16H2F30/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h1-2H/b2-1+

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


name: N-(9,10-Dioxo-1-anthryl)benzamide
cas: 3571-23-1
chemspiderid: 69556
dtxsid: DTXSID00189228
formula: C21H13N1O3
inchikey: KOJOUCAVSDKDPR-UHFFFAOYSA-N
norman_susdat_id: NS00021130
pubchem_cid: 77118
smiles: O=C(Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1)c1ccccc1
inchi:
InChI=1S/C21H13NO3/c23-19-14-9-4-5-10-15(14)20(24)18-16(19)11-6-12-17(18)22-21(25)13-7-2-1-3-8-13/h1-12H,(H,22,25)


name: Methyl 2-[[(8-hydroxy-7-quinolyl)phenylmethyl]amino]benzoate
cas: 3571-26-4
formula: C24H20N2O3
inchikey: ZPJOAKSLQZOQOG-UHFFFAOYSA-N
norman_susdat_id: NS00049848
pubchem_cid: 98052
smiles: O=C(OC)C=1C=CC=CC1NC(C=2C=CC=CC2)C=3C=CC4=CC=CN=C4C3O
inchi:
InChI=1/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3


name: [4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride
cas: 3571-36-6
formula: C27H33N2.Cl
inchikey: YQRUDCCTRRXVAB-UHFFFAOYSA-M
norman_susdat_id: NS00083180
smiles: [Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3
inchi:
InChI=1/C27H33N2.ClH/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;/h9-21H,5-8H2,1-4H3;1H/q+1;/p-1


name: Estradiol undecylate
cas: 3571-53-7
chebiid: CHEBI:135719
chemspiderid: 18055
dtxsid: DTXSID3023003
formula: C29H44O3
inchikey: TXHUMRBWIWWBGW-GVGNIZHQSA-N
norman_susdat_id: NS00029904
pubchem_cid: 19135
smiles: CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(O)c4)[C@H]3CC[C@]12C
inchi:
InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27+,29+/m1/s1


name: Sodium 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate
cas: 35711-34-3
chebiid: CHEBI:9619
formula: C15H15NO3.Na
inchikey: QGUALMNFRILWRA-UHFFFAOYSA-M
norman_susdat_id: NS00089503
smiles: [Na+].Cc1ccc(cc1)C(=O)c2ccc(CC(=O)[O-])n2C
inchi:
InChI=1/C15H15NO3.Na/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;/h3-8H,9H2,1-2H3,(H,17,18);/q;+1/p-1


name: Benzyl[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]dimethylammonium chloride
cas: 35714-87-5
dtxsid: DTXSID60885633
formula: C25H30ClN5O2
inchikey: PXXCCMGFXWJIJS-UHFFFAOYSA-M
norman_susdat_id: NS00057343
pubchem_cid: 118862
smiles: [Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)CC=3C=CC=CC3)C(Cl)=C1
inchi:
InChI=1/C25H29ClN5O2.ClH/c1-4-29(16-17-31(2,3)19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)27-28-25-15-14-23(30(32)33)18-24(25)26;/h5-15,18H,4,16-17,19H2,1-3H3;1H/q+1;/p-1


name: Dioctylthioxostannane
cas: 3572-47-2
dtxsid: DTXSID9063085
formula: C16H34SSn
inchikey: RFAIKXASDCRKEP-UHFFFAOYSA-N
norman_susdat_id: NS00048533
pubchem_cid: 77120
smiles: S=[Sn](CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.S.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/rC16H34SSn/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: [1,1'-Biphenyl]-3-carboxylic acid, 2-hydroxy-, 2-(diethylamino)ethyl ester
cas: 3572-52-9
chebiid: CHEBI:135341
chemspiderid: 20415
dtxsid: DTXSID4063086
formula: C19H23N1O3
inchikey: HLDCSYXMVXILQC-UHFFFAOYSA-N
norman_susdat_id: NS00011764
pubchem_cid: 21720
smiles: CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2
inchi:
InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3


name: Cyclazocine
cas: 3572-80-3
chemspiderid: 2301549
dtxsid: DTXSID9022863
formula: C18H25N1O1
inchikey: YQYVFVRQLZMJKJ-UHFFFAOYNA-N
norman_susdat_id: NS00029907
pubchem_cid: NA
smiles: CC1C2Cc3ccc(O)cc3C1(C)CCN2CC1CC1
inchi:
InChI=1S/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/t12-,17-,18-/m0/s1


name: N-Isodecylisotridecylamine
cas: 35723-86-5
chemspiderid: 34997130
dtxsid: DTXSID30189251
formula: C23H49N1
inchikey: FKPOBQQZKKGZLL-UHFFFAOYSA-N
norman_susdat_id: NS00022092
pubchem_cid: 56842912
smiles: CC(C)CCCCCCCCCCNCCCCCCCC(C)C
inchi:
InChI=1S/C23H49N/c1-22(2)18-14-10-7-5-6-8-12-16-20-24-21-17-13-9-11-15-19-23(3)4/h22-24H,5-21H2,1-4H3


name: Isodecanamine, N,N-diisodecyl-
cas: 35723-89-8
chemspiderid: 106218
dtxsid: DTXSID9067938
formula: C30H63N1
inchikey: DLFKJPZBBCZWOO-UHFFFAOYSA-N
norman_susdat_id: NS00022093
pubchem_cid: 118865
smiles: CC(C)CCCCCCCN(CCCCCCCC(C)C)CCCCCCCC(C)C
inchi:
InChI=1S/C30H63N/c1-28(2)22-16-10-7-13-19-25-31(26-20-14-8-11-17-23-29(3)4)27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3


name: Tetrairon octasodium pentakis(pyrophosphate)
cas: 35725-46-3
formula: Fe.5/4H4O7P2.2Na
inchikey: GOTWCIPCHLJPHB-UHFFFAOYSA-A
norman_susdat_id: NS00089057
inchi:
InChI=1/4Fe.8Na.5H4O7P2/c;;;;;;;;;;;;5*1-8(2,3)7-9(4,5)6/h;;;;;;;;;;;;5*(H2,1,2,3)(H2,4,5,6)/q4*+3;8*+1;;;;;/p-20

smiles:
[Fe+3].[Fe+3].[Fe+3].[Fe+3].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O.[O-]P([O-])(=O)OP([O-])([O-])=O


name: [R-(Z)]-12-hydroxy-9-octadecenamide
cas: 35732-94-6
formula: C18H35NO2
inchikey: VSKRSEHLMRRKOS-UHFFFAOYSA-N
norman_susdat_id: NS00058854
pubchem_cid: 118258
smiles: O=C(N)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C18H35NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h9,12,17,20H,2-8,10-11,13-16H2,1H3,(H2,19,21)


name: Tetrabutylammonium formate
cas: 35733-58-5
formula: C16H36N.CHO2
inchikey: SNMZANHSFVMKKA-UHFFFAOYSA-M
norman_susdat_id: NS00088854
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]C=O
inchi:
InChI=1/C16H36N.CH2O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1-3/h5-16H2,1-4H3;1H,(H,2,3)/q+1;/p-1


name: Brivaracetam
cas: 357336-20-0
chebiid: CHEBI:133013
chemspiderid: 8012964
dtxsid: DTXSID00905081
formula: C11H20N2O2
inchikey: MSYKRHVOOPPJKU-BDAKNGLRSA-N
norman_susdat_id: NS00068020
pubchem_cid: 9837243
smiles: CCC[C@@H]1CC(=O)N(C1)[C@@H](CC)C(=O)N
inchi:
InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1


name: Seletracetam
cas: 357336-74-4
dtxsid: DTXSID30905079
formula: C10H14F2N2O2
inchikey: ANWPENAPCIFDSZ-RQJHMYQMSA-N
norman_susdat_id: NS00070527
smiles: CC[C@@H](C(N)=O)N1C[C@H](C=C(F)F)CC1=O
inchi:
InChI=1S/C10H14F2N2O2/c1-2-7(10(13)16)14-5-6(3-8(11)12)4-9(14)15/h3,6-7H,2,4-5H2,1H3,(H2,13,16)/t6-,7+/m1/s1


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
cas: 35737-15-6
formula: C26H22N2O4
inchikey: MGHMWKZOLAAOTD-DEOSSOPVSA-N
norman_susdat_id: NS00057859
pubchem_cid: 978343
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC4=CNC=5C=CC=CC54
inchi:
InChI=1/C26H22N2O4/c29-25(30)24(13-16-14-27-23-12-6-5-7-17(16)23)28-26(31)32-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,14,22,24,27H,13,15H2,(H,28,31)(H,29,30)


name: 1-Methyl 3-phenyl-N-(N-((phenylmethoxy)carbonyl)-L-beta-aspartyl)-L-alaninate
cas: 35739-01-6
chemspiderid: 9081336
dtxsid: DTXSID30189276
formula: C22H24N2O7
inchikey: CLVVEIINFJLFNK-ROUUACIJSA-N
norman_susdat_id: NS00029908
pubchem_cid: 10906077
smiles: COC(=O)C(Cc1ccccc1)NC(=O)CC(NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-19(25)13-17(20(26)27)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,25)(H,24,29)(H,26,27)/t17-,18-/m0/s1


name: Octadecanamide, N-[2-[(2-aminoethyl)amino]ethyl]-
cas: 3574-73-0
chemspiderid: 69560
dtxsid: DTXSID9063087
formula: C22H47N3O1
inchikey: BAFIQDJKGKANJI-UHFFFAOYSA-N
norman_susdat_id: NS00020195
pubchem_cid: 77122
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCN
inchi:
InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h24H,2-21,23H2,1H3,(H,25,26)


name: Clefamide
cas: 3576-64-5
chebiid: CHEBI:135963
chemspiderid: 64843
dtxsid: DTXSID30189296
formula: C17H16Cl2N2O5
inchikey: ODCUSWJXZDHLKV-UHFFFAOYSA-N
norman_susdat_id: NS00002129
pubchem_cid: 71819
smiles: OCCN(Cc1ccc(Oc2ccc(cc2)N(=O)=O)cc1)C(=O)C(Cl)Cl
inchi:
InChI=1S/C17H16Cl2N2O5/c18-16(19)17(23)20(9-10-22)11-12-1-5-14(6-2-12)26-15-7-3-13(4-8-15)21(24)25/h1-8,16,22H,9-11H2


name: Sodium 5-butyl-5-ethylbarbiturate
cas: 35763-44-1
formula: C10H16N2O3.Na
inchikey: QTNNCMYRNIXYPH-UHFFFAOYSA-M
norman_susdat_id: NS00089058
smiles: [Na+].CCCCC1(CC)C(=O)NC(=NC1=O)[O-]
inchi:
InChI=1/C10H16N2O3.Na/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14;/h3-6H2,1-2H3,(H2,11,12,13,14,15);/q;+1/p-1


name: 3-methoxy-2-phenyl-1H-naphtho[2,1,8-mna]thioxanthen-1-one
cas: 35763-62-3
dtxsid: DTXSID4067939
formula: C26H16O2S
inchikey: AWXCEFQSHXRBSB-UHFFFAOYSA-N
norman_susdat_id: NS00057809
pubchem_cid: 118868
smiles: O=C1C2=CC=C3C=4C=CC=CC4SC=5C=CC(C(OC)=C1C=6C=CC=CC6)=C2C53
inchi:
InChI=1/C26H16O2S/c1-28-26-19-13-14-21-24-17(16-9-5-6-10-20(16)29-21)11-12-18(23(19)24)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3


name: Cephaloglycin
cas: 3577-01-3
chebiid: CHEBI:34613
chemspiderid: 18069
dtxsid: DTXSID4022781
formula: C18H19N3O6S1
inchikey: FUBBGQLTSCSAON-PBFPGSCMSA-N
norman_susdat_id: NS00011574
pubchem_cid: 19150
smiles: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O
inchi:
InChI=1S/C18H19N3O6S/c1-9(22)27-7-11-8-28-17-13(16(24)21(17)14(11)18(25)26)20-15(23)12(19)10-5-3-2-4-6-10/h2-6,12-13,17H,7-8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1


name: 2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
cas: 35773-42-3
chemspiderid: 106223
dtxsid: DTXSID3067940
formula: C20H18N2O3
inchikey: UJOQSHCJYVRZKJ-UHFFFAOYSA-N
norman_susdat_id: NS00029915
pubchem_cid: 118870
smiles: CCN(CC)c1cc2c(cc1)cc(c1nc3c(o1)cccc3)c(=O)o2
inchi:
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3


name: 2H-1-Benzopyran-2-one, 3-(5-chloro-2-benzoxazolyl)-7-(diethylamino)-
cas: 35773-43-4
chebiid: CHEBI:52120
chemspiderid: 106224
dtxsid: DTXSID8067941
formula: C20H17Cl1N2O3
inchikey: CBNSBRVOBGWOBM-UHFFFAOYSA-N
norman_susdat_id: NS00021132
pubchem_cid: 118871
smiles: CCN(CC)c1cc2c(cc1)cc(c1nc3c(o1)ccc(Cl)c3)c(=O)o2
inchi:
InChI=1S/C20H17ClN2O3/c1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19/h5-11H,3-4H2,1-2H3


name: 4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
cas: 35778-58-6
chemspiderid: 22389
dtxsid: DTXSID8067943
formula: C14H16N2O1S2
inchikey: CWQLQYNQWCTDQF-UHFFFAOYSA-N
norman_susdat_id: NS00029916
pubchem_cid: 3034543
smiles: CCN(CC)c1ccc(/C=C/2SC(=S)NC2=O)cc1
inchi:
InChI=1S/C14H16N2OS2/c1-3-16(4-2)11-7-5-10(6-8-11)9-12-13(17)15-14(18)19-12/h5-9H,3-4H2,1-2H3,(H,15,17,18)/b12-9-


name: N-Demethyllysergic acid diethylamide
cas: 35779-43-2
chemspiderid: 148419
dtxsid: DTXSID80189307
formula: C19H23N3O1
inchikey: SUXLVXOMPKZBOV-CXAGYDPISA-N
norman_susdat_id: NS00015016
pubchem_cid: 169713
smiles: CCN(C(=O)[C@H]1CN[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
inchi:
InChI=1S/C19H23N3O/c1-3-22(4-2)19(23)13-8-15-14-6-5-7-16-18(14)12(10-20-16)9-17(15)21-11-13/h5-8,10,13,17,20-21H,3-4,9,11H2,1-2H3/t13-,17-/m1/s1


name: Calcium didocosanoate
cas: 3578-72-1
formula: C22H44O2.1/2Ca
inchikey: SMBKCSPGKDEPFO-UHFFFAOYSA-L
norman_susdat_id: NS00082310
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C22H44O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2


name: 2'-[bis(4-chlorobenzyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 35783-51-8
dtxsid: DTXSID80957169
formula: C38H32Cl2N2O3
inchikey: DAQAGCVWRASNLN-UHFFFAOYSA-N
norman_susdat_id: NS00057426
pubchem_cid: 56843026
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC5=CC=C(Cl)C=C5)CC6=CC=C(Cl)C=C6)N(CC)CC)C=7C=CC=CC17
inchi:
InChI=1/C38H32Cl2N2O3/c1-3-41(4-2)30-17-19-33-36(22-30)44-35-20-18-29(21-34(35)38(33)32-8-6-5-7-31(32)37(43)45-38)42(23-25-9-13-27(39)14-10-25)24-26-11-15-28(40)16-12-26/h5-22H,3-4,23-24H2,1-2H3


name: Cyclohexyl 3-octyloxiran-2-octanoate
cas: 35788-39-7
dtxsid: DTXSID30957174
formula: C24H44O3
inchikey: QSIGPWWSZONILI-UHFFFAOYSA-N
norman_susdat_id: NS00057810
pubchem_cid: 56842978
smiles: O=C(OC1CCCCC1)CCCCCCCC2OC2CCCCCCCC
inchi:
InChI=1/C24H44O3/c1-2-3-4-5-7-13-18-22-23(27-22)19-14-8-6-9-15-20-24(25)26-21-16-11-10-12-17-21/h21-23H,2-20H2,1H3


name: Isobutyl 3-octyloxiran-2-octanoate
cas: 35788-40-0
formula: C22H42O3
inchikey: RLZMLCOLHSMIMU-UHFFFAOYSA-N
norman_susdat_id: NS00057811
pubchem_cid: 56843027
smiles: O=C(OCC(C)C)CCCCCCCC1OC1CCCCCCCC
inchi:
InChI=1/C22H42O3/c1-4-5-6-7-9-12-15-20-21(25-20)16-13-10-8-11-14-17-22(23)24-18-19(2)3/h19-21H,4-18H2,1-3H3


name: Denaverine
cas: 3579-62-2
chemspiderid: 17683
dtxsid: DTXSID10189315
formula: C24H33N1O3
inchikey: UDUXZOBMNQFDCP-UHFFFAOYSA-N
norman_susdat_id: NS00004838
pubchem_cid: 18727
smiles: CCCC(CC)OC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H33NO3/c1-5-13-22(6-2)28-24(20-14-9-7-10-15-20,21-16-11-8-12-17-21)23(26)27-19-18-25(3)4/h7-12,14-17,22H,5-6,13,18-19H2,1-4H3


name: beta-Hederin
cas: 35790-95-5
chebiid: CHEBI:10419
chemspiderid: 3900503
dtxsid: DTXSID90331673
formula: C41H66O11
inchikey: IBAJNOZMACNWJD-HVUPOBLPSA-N
norman_susdat_id: NS00094846
pubchem_cid: 441929
inchi:
InChI=1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1

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


cas: 357924-15-3
dtxsid: DTXSID50882732
norman_susdat_id: NS00110638
name:
2-Propenoic acid, 2-methyl-, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-2-methyl-2-propenoate, methyl 2-methyl-2-propenoate and 2-methylpropyl-2-methyl-2-propenoate


name: Trimazosin
cas: 35795-16-5
chebiid: CHEBI:135710
chemspiderid: 34203
dtxsid: DTXSID50189319
formula: C20H29N5O6
inchikey: YNZXWQJZEDLQEG-UHFFFAOYSA-N
norman_susdat_id: NS00002820
pubchem_cid: 37264
smiles: COc1cc2c(N)nc(nc2c(OC)c1OC)N1CCN(CC1)C(=O)OCC(C)(C)O
inchi:
InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)


cas: 35795-17-6
formula: C20H29N5O6.ClH
inchikey: KJZWJYNJYOFTNQ-UHFFFAOYSA-N
norman_susdat_id: NS00089069
smiles: Cl.COc1cc2c(N)nc(nc2c(OC)c1OC)N3CCN(CC3)C(=O)OCC(C)(C)O
name:
2-hydroxy-2-methylpropyl 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate monohydrochloride

inchi:
InChI=1/C20H29N5O6.ClH/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5;/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23);1H


name: 4-Oxazolidinone, 3-ethyl-5-[(3-methyl-2-thiazolidinylidene)ethylidene]-2-thioxo-
cas: 35795-44-9
chemspiderid: 88851
dtxsid: DTXSID3067944
formula: C11H14N2O2S2
inchikey: SAEAAROWQNNEDY-UHFFFAOYSA-N
norman_susdat_id: NS00029920
pubchem_cid: 98395
smiles: CCN1C(=S)O/C(=CC=C2/SCCN2C)/C1=O
inchi:
InChI=1S/C11H14N2O2S2/c1-3-13-10(14)8(15-11(13)16)4-5-9-12(2)6-7-17-9/h4-5H,3,6-7H2,1-2H3/b8-4-,9-5-


name: N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE
cas: 357965-98-1
dtxsid: DTXSID00349668
formula: C8H21N7O2
inchikey: RMSWBHUVFNFNIZ-ZETCQYMHSA-N
norman_susdat_id: NS00068715
pubchem_cid: 656911
smiles: N=C(NCCC[C@H](N)CNCCN)N[N+](=O)[O-]
inchi:
InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1


name: 17beta-Hydroxyestr-4-en-3-one 17-valerate
cas: 35800-55-6
chemspiderid: 21229981
dtxsid: DTXSID10189335
formula: C23H34O3
inchikey: BCQGHMNTFIFCQJ-ZBVDZRMISA-N
norman_susdat_id: NS00029921
pubchem_cid: 56843028
smiles: CCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C
inchi:
InChI=1S/C23H34O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h14,17-21H,3-13H2,1-2H3/t17-,18+,19-,20-,21+,23+/m1/s1


name: Diethoxytitanium dichloride
cas: 3582-00-1
formula: C4H10Cl2O2Ti
inchikey: LPPCBEOQCYIRJX-UHFFFAOYSA-L
norman_susdat_id: NS00083075
smiles: [Cl-].[Cl-].CCO[Ti]OCC.CCO[Ti]OCC
inchi:
InChI=1/4C2H5O.2ClH.2Ti/c4*1-2-3;;;;/h4*2H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2/r2C4H10O2Ti.2ClH/c2*1-3-5-7-6-4-2;;/h2*3-4H2,1-2H3;2*1H/p-2


name: 1-methoxy-2-phenyl-3H-naphtho[2,1,8-mna]thioxanthen-3-one
cas: 35826-82-5
dtxsid: DTXSID80189362
formula: C26H16O2S
inchikey: AEJVUKBFJZTFCE-UHFFFAOYSA-N
norman_susdat_id: NS00057899
pubchem_cid: 14511993
smiles: O=C1C2=CC=C3SC=4C=CC=CC4C=5C=CC(C(OC)=C1C=6C=CC=CC6)=C2C35
inchi:
InChI=1/C26H16O2S/c1-28-26-19-12-11-17-16-9-5-6-10-20(16)29-21-14-13-18(23(19)24(17)21)25(27)22(26)15-7-3-2-4-8-15/h2-14H,1H3


name: Bumadizone
cas: 3583-64-0
chebiid: CHEBI:76119
chemspiderid: 18080
dtxsid: DTXSID0022698
formula: C19H22N2O3
inchikey: FLWFHHFTIRLFPV-UHFFFAOYSA-N
norman_susdat_id: NS00001283
pubchem_cid: 19161
smiles: CCCCC(C(O)=O)C(=O)N(Nc1ccccc1)c1ccccc1
inchi:
InChI=1S/C19H22N2O3/c1-2-3-14-17(19(23)24)18(22)21(16-12-8-5-9-13-16)20-15-10-6-4-7-11-15/h4-13,17,20H,2-3,14H2,1H3,(H,23,24)


name: Rosaramicin
cas: 35834-26-5
chemspiderid: 16736170
dtxsid: DTXSID4046361
formula: C31H51N1O9
inchikey: IUPCWCLVECYZRV-DIPWYQAOSA-N
norman_susdat_id: NS00011676
pubchem_cid: 12922658
inchi:
InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20?,21+,22+,24-,25?,27-,28-,29?,30+,31+/m1/s1

smiles:
CCC1C(C2[C@@](O2)(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)CC=O)C)C)C


name: Ethyltriphenylphosphonium acetate
cas: 35835-94-0
formula: C20H20P.C2H3O2
inchikey: HZZUMXSLPJFMCB-UHFFFAOYSA-M
norman_susdat_id: NS00089549
smiles: CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.CC(=O)[O-]
inchi:
InChI=1/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1


name: Lead bis(3,5,5-trimethylhexanoate)
cas: 35837-70-8
formula: C9H18O2.1/2Pb
inchikey: HHCUBIIYLQMHJR-UHFFFAOYSA-L
norman_susdat_id: NS00089101
smiles: [Pb+2].CC(CC(C)(C)C)CC([O-])=O.CC(C)(C)CC(C)CC([O-])=O
inchi:
InChI=1/2C9H18O2.Pb.2H/c2*1-7(5-8(10)11)6-9(2,3)4;;;/h2*7H,5-6H2,1-4H3,(H,10,11);;;/q;;+4;;/p-2/r2C9H18O2.H2Pb/c2*1-7(5-8(10)11)6-9(2,3)4;/h2*7H,5-6H2,1-4H3,(H,10,11);1H2/q;;+4/p-2


name: (2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl methacrylate
cas: 35838-12-1
chemspiderid: 106230
dtxsid: DTXSID3067946
formula: C21H27N3O9
inchikey: KUELXNNGRPADJL-UHFFFAOYSA-N
norman_susdat_id: NS00029925
pubchem_cid: 118878
smiles: CC(=C)C(=O)OCCn1c(=O)n(CCOC(=O)C(=C)C)c(=O)n(CCOC(=O)C(=C)C)c1=O
inchi:
InChI=1S/C21H27N3O9/c1-13(2)16(25)31-10-7-22-19(28)23(8-11-32-17(26)14(3)4)21(30)24(20(22)29)9-12-33-18(27)15(5)6/h1,3,5,7-12H2,2,4,6H3


name: Clocoumarol
cas: 35838-63-2
dtxsid: DTXSID00957242
formula: C21H21ClO3
inchikey: XEBSDNCEYSPGIU-UHFFFAOYSA-N
norman_susdat_id: NS00058926
pubchem_cid: 54683990
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C3=CC=C(C=C3)CCCl)CCC
inchi:
InChI=1/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,23H,2,5,12-13H2,1H3


name: 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzoic acid
cas: 358390-39-3
chemspiderid: 11436242
dtxsid: DTXSID70626256
formula: C18H20N4O4
inchikey: KZNXGHYOSBOMJW-UHFFFAOYSA-N
norman_susdat_id: NS00015017
pubchem_cid: 22498821
smiles: CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)C(=O)O)C
inchi:
InChI=1S/C18H20N4O4/c1-4-6-14-19-10(3)15-17(23)20-16(21-22(14)15)12-9-11(18(24)25)7-8-13(12)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,20,21,23)


name: 2-Methyl-N-(triphenylphosphoranylidene)aniline
cas: 35843-74-4
chemspiderid: 89113
dtxsid: DTXSID00189389
formula: C25H22N1P1
inchikey: BRVKYNOLBGVHFJ-UHFFFAOYSA-N
norman_susdat_id: NS00029927
pubchem_cid: 98672
smiles: Cc1c(cccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H22NP/c1-21-13-11-12-20-25(21)26-27(22-14-5-2-6-15-22,23-16-7-3-8-17-23)24-18-9-4-10-19-24/h2-20H,1H3


name: N-(Triphenylphosphoranylidene)-m-toluidine
cas: 35843-75-5
chemspiderid: 89112
dtxsid: DTXSID10189390
formula: C25H22N1P1
inchikey: APAFUCDSCJBJKH-UHFFFAOYSA-N
norman_susdat_id: NS00029928
pubchem_cid: 98671
smiles: Cc1cc(ccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H22NP/c1-21-12-11-13-22(20-21)26-27(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,1H3


name: 2-Hydroxy-1,4-bis(phenylamino)anthraquinone
cas: 35844-74-7
chemspiderid: 17333334
dtxsid: DTXSID70189391
formula: C26H18N2O3
inchikey: LIOMCOAUQFHZKI-UHFFFAOYSA-N
norman_susdat_id: NS00029929
pubchem_cid: 16205090
smiles: Oc1c(Nc2ccccc2)c2c(c(Nc3ccccc3)c1)C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C26H18N2O3/c29-21-15-20(27-16-9-3-1-4-10-16)22-23(24(21)28-17-11-5-2-6-12-17)26(31)19-14-8-7-13-18(19)25(22)30/h1-15,27-29H


name: Maitansine
cas: 35846-53-8
chebiid: CHEBI:6701
dtxsid: DTXSID00879995
formula: C34H46ClN3O10
inchikey: WKPWGQKGSOKKOO-RSFHAFMBSA-N
norman_susdat_id: NS00057900
pubchem_cid: 5281828
smiles: O=C1OC2CC(O)(N1)C(OC)C=CC=C(C)CC3=CC(OC)=C(Cl)C(=C3)N(C(=O)CC(OC(=O)C(N(C(=O)C)C)C)C4(OC4C2C)C)C
inchi:
InChI=1/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)


cas: 35849-53-7
chemspiderid: 21229984
dtxsid: DTXSID30189397
formula: C26H42Cl2N8O6
inchikey: ODJVXBXZQHPSNS-GSJIPYROSA-N
norman_susdat_id: NS00029932
pubchem_cid: 56843085
smiles: Br.CCCC(NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C(N)C(N(CCCl)CCCl)c1ccccc1)C(=O)OCC
name:
Ethyl N-(N2-(3-(bis(2-chloroethyl)amino)-3-phenyl-L-alanyl)-N5-(imino(nitroamino)methyl)-L-ornithyl)-L-norvalinate monohydrobromide

inchi:
InChI=1S/C26H42Cl2N8O6/c1-3-9-20(25(39)42-4-2)33-23(37)19(12-8-15-31-26(30)34-36(40)41)32-24(38)21(29)22(18-10-6-5-7-11-18)35(16-13-27)17-14-28/h5-7,10-11,19-22H,3-4,8-9,12-17,29H2,1-2H3,(H,32,38)(H,33,37)(H3,30,31,34)/t19-,20-,21-,22-/m1/s1


name: Bis[2,8-di(trifluoromethyl)quinolin-4-yl-2-pyridyl] ketone
cas: 35853-55-5
dtxsid: DTXSID00957262
formula: C33H14F12N4O
inchikey: BRBWPXWUHSCFBB-UHFFFAOYSA-N
norman_susdat_id: NS00058928
pubchem_cid: 3015810
inchi:
InChI=1/C33H14F12N4O/c34-30(35,36)21-9-1-5-15-19(13-23(32(40,41)42)48-25(15)21)17-7-3-11-46-27(17)29(50)28-18(8-4-12-47-28)20-14-24(33(43,44)45)49-26-16(20)6-2-10-22(26)31(37,38)39/h1-14H

smiles:
O=C(C1=NC=CC=C1C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)C4=NC=CC=C4C5=CC(=NC6=C5C=CC=C6C(F)(F)F)C(F)(F)F


name: Benzyl L-tryptophanate monohydrochloride
cas: 35858-81-2
formula: C18H18N2O2
inchikey: DOKDMGOWZOTZRA-NTISSMGPSA-N
norman_susdat_id: NS00057498
pubchem_cid: 426818
smiles: Cl.O=C(OCC=1C=CC=CC1)C(N)CC2=CNC=3C=CC=CC32
inchi:
InChI=1/C18H18N2O2.ClH/c19-16(18(21)22-12-13-6-2-1-3-7-13)10-14-11-20-17-9-5-4-8-15(14)17;/h1-9,11,16,20H,10,12,19H2;1H


name: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium methyl sulphate
cas: 35869-60-4
formula: C22H24N3O2.CH3O4S
inchikey: WSQFYXLXDOGUIJ-UHFFFAOYSA-N
norman_susdat_id: NS00088897
smiles: CCN(CC)c1ccc2C=C(C3N(C)c4ccccc4[NH+]3C)C(=O)Oc2c1.COS(=O)(=O)[O-]
inchi:
InChI=1/C22H25N3O2.CH4O4S/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;1-5-6(2,3)4/h7-14,21H,5-6H2,1-4H3;1H3,(H,2,3,4)


cas: 35869-64-8
formula: C40H23Cl3N8O8
norman_susdat_id: NS00107047
name:
N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]


name: Tributylphenoxystannane
cas: 3587-18-6
dtxsid: DTXSID30189418
formula: C18H32OSn
inchikey: WSFFSRSHQHHVHH-UHFFFAOYSA-M
norman_susdat_id: NS00048293
pubchem_cid: NA
smiles: O(C=1C=CC=CC1)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C6H6O.3C4H9.Sn/c7-6-4-2-1-3-5-6;3*1-3-4-2;/h1-5,7H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H32OSn/c1-4-7-15-20(16-8-5-2,17-9-6-3)19-18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3


name: N-benzyloxycarbonyl-DL-3-phenylalanine
cas: 3588-57-6
formula: C17H17NO4
inchikey: RRONHWAVOYADJL-UHFFFAOYSA-N
norman_susdat_id: NS00082312
smiles: OC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2
inchi:
InChI=1/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)


name: Bromo-6,14-dichloropyranthrene-8,16-dione
cas: 35884-41-4
chemspiderid: 21229986
dtxsid: DTXSID80189443
formula: C30H11Br1Cl2O2
inchikey: AZJLRVZBHVOEEH-UHFFFAOYSA-N
norman_susdat_id: NS00029939
pubchem_cid: 3015812
smiles: Clc1c2cc3c4c(c(Br)ccc4)C(=O)c4cc(Cl)c5cc6c7ccccc7C(=O)c(c1)c6c2c5c34
inchi:
InChI=1S/C30H11BrCl2O2/c31-21-7-3-6-13-16-9-18-22(32)10-19-24-15(12-4-1-2-5-14(12)29(19)34)8-17-23(33)11-20(30(35)26(13)21)25(16)28(17)27(18)24/h1-11H


name: Tetrakis(tritolyl phosphite )nickel
cas: 35884-66-3
formula: C84H84NiO12P4
inchikey: RUCBZWQAPHSHNX-UHFFFAOYSA-N
norman_susdat_id: NS00089110
inchi:
InChI=1/4C21H21O3P.Ni/c4*1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21;/h4*4-15H,1-3H3;/q;;;;+2

smiles:
[Ni].Cc1ccc(OP(Oc2ccc(C)cc2)Oc3ccc(C)cc3)cc1.Cc4ccc(OP(Oc5ccc(C)cc5)Oc6ccc(C)cc6)cc4.Cc7ccc(OP(Oc8ccc(C)cc8)Oc9ccc(C)cc9)cc7.Cc%10ccc(OP(Oc%11ccc(C)cc%11)Oc%12ccc(C)cc%12)cc%10


name: Myriocin
cas: 35891-70-4
chebiid: CHEBI:582124
dtxsid: DTXSID9046360
formula: C21H39NO6
inchikey: ZZIKIHCNFWXKDY-GNTQXERDSA-N
norman_susdat_id: NS00096641
smiles: CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@@](CO)(C(=O)O)N)O)O
inchi:
InChI=1S/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,12,18-19,23,25-26H,2-8,10-11,13-16,22H2,1H3,(H,27,28)/b12-9+/t18-,19+,21+/m1/s1


name: Ligstroside
cas: 35897-92-8
chebiid: CHEBI:149585
chemspiderid: 14136859
formula: C25H32O12
inchikey: GMQXOLRKJQWPNB-MVVLSVRYSA-N
norman_susdat_id: NS00093976
pubchem_cid: 22912948
smiles:
C/C=C/1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OCCC3=CC=C(C=C3)O


name: Thymidine 3',5'-dibenzoate
cas: 35898-30-7
chemspiderid: 4169643
dtxsid: DTXSID10189456
formula: C24H22N2O7
inchikey: SNKWLBSAKXIYKF-XUVXKRRUSA-N
norman_susdat_id: NS00029943
pubchem_cid: 13534495
smiles: Cc1cn(C2CC(OC(=O)c3ccccc3)C(COC(=O)c3ccccc3)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C24H22N2O7/c1-15-13-26(24(30)25-21(15)27)20-12-18(33-23(29)17-10-6-3-7-11-17)19(32-20)14-31-22(28)16-8-4-2-5-9-16/h2-11,13,18-20H,12,14H2,1H3,(H,25,27,30)/t18-,19+,20+/m0/s1


name: Dilazep
cas: 35898-87-4
chebiid: CHEBI:92842
chemspiderid: 2965
dtxsid: DTXSID9045425
formula: C31H44N2O10
inchikey: QVZCXCJXTMIDME-UHFFFAOYSA-N
norman_susdat_id: NS00004756
pubchem_cid: 3074
smiles: COc1cc(cc(OC)c1OC)C(=O)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
inchi:
InChI=1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3


name: dl-Pentazocine
cas: 359-83-1
chebiid: CHEBI:7982
chemspiderid: 390041
dtxsid: DTXSID7023433
formula: C19H27N1O1
inchikey: VOKSWYLNZZRQPF-GDIGMMSISA-N
norman_susdat_id: NS00010467
pubchem_cid: 441278
smiles: C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(CCN2CC=C(C)C)C)O
inchi:
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1


name: Acetyl sulfamethoxypyrazine
cas: 3590-05-4
chemspiderid: 18094
dtxsid: DTXSID50189470
formula: C13H14N4O4S1
inchikey: GWVCIJWBGGVDJJ-UHFFFAOYSA-N
norman_susdat_id: NS00011886
pubchem_cid: 19175
smiles: CC(=O)N(c1c(nccn1)OC)S(=O)(=O)c2ccc(cc2)N
inchi:
InChI=1S/C13H14N4O4S/c1-9(18)17(12-13(21-2)16-8-7-15-12)22(19,20)11-5-3-10(14)4-6-11/h3-8H,14H2,1-2H3


name: 4-Imino-5-methyl-1-(5-O-phosphonopentofuranosyl)-1,4-dihydropyrimidin-2-ol
cas: 3590-36-1
chebiid: CHEBI:74725
dtxsid: DTXSID20922391
formula: C10H16N3O8P
inchikey: NJQONZSFUKNYOY-JXOAFFINSA-N
norman_susdat_id: NS00070869
pubchem_cid: 192785
smiles: Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1N
inchi:
InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1


name: Tmp
cas: 3590-47-4
chebiid: CHEBI:45394
dtxsid: DTXSID50510240
formula: C10H15N2O9P
inchikey: IGWHDMPTQKSDTL-JXOAFFINSA-N
norman_susdat_id: NS00070875
pubchem_cid: 12803287
smiles: Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1


name: 2,2-dibutyl-1,3,2-dioxastannolane
cas: 3590-59-8
dtxsid: DTXSID30189473
formula: C10H22O2Sn
inchikey: STWBEJNHFFEKHC-UHFFFAOYSA-N
norman_susdat_id: NS00046981
pubchem_cid: NA
smiles: O1CCO[Sn]1(CCCC)CCCC
inchi:
InChI=1/2C4H9.C2H4O2.Sn/c2*1-3-4-2;3-1-2-4;/h2*1,3-4H2,2H3;1-2H2;/q;;-2;+2/rC10H22O2Sn/c1-3-5-9-13(10-6-4-2)11-7-8-12-13/h3-10H2,1-2H3


name: Tetraoctyltin
cas: 3590-84-9
dtxsid: DTXSID3027538
formula: C32H68Sn
inchikey: JTGNPNLBCGBCMP-UHFFFAOYSA-N
norman_susdat_id: NS00046982
pubchem_cid: NA
smiles: CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/4C8H17.Sn/c4*1-3-5-7-8-6-4-2;/h4*1,3-8H2,2H3;/rC32H68Sn/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3


name: 2-[6-(4-Aminophenoxy)-3-oxo-3H-xanthen-9-yl]benzoic acid
cas: 359010-70-1
chemspiderid: 9815161
dtxsid: DTXSID40469879
formula: C26H17N1O5
inchikey: SKRNNOWWEXPZBB-UHFFFAOYSA-N
norman_susdat_id: NS00018363
pubchem_cid: 16760637
smiles: C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC6=CC=C(C=C6)N
inchi:
InChI=1S/C26H17NO5/c27-15-5-8-17(9-6-15)30-18-10-12-22-24(14-18)31-23-13-16(28)7-11-21(23)26(22)20-4-2-1-3-19(20)25(29)32-26/h1-14,28H,27H2


name: 5-amino-1-(3,5-O-phosphinico-ß-D-ribofuranosyl)-1H-imidazole-4-carboxamide
cas: 35908-14-6
dtxsid: DTXSID80957326
formula: C9H13N4O7P
inchikey: QQDWJBYNAORJHB-UHFFFAOYSA-N
norman_susdat_id: NS00057886
pubchem_cid: 340730
smiles: O=C(N)C=1N=CN(C1N)C2OC3COP(=O)(O)OC3C2O
inchi:
InChI=1/C9H13N4O7P/c10-7-4(8(11)15)12-2-13(7)9-5(14)6-3(19-9)1-18-21(16,17)20-6/h2-3,5-6,9,14H,1,10H2,(H2,11,15)(H,16,17)


name: Maridomycin
cas: 35908-44-2
chemspiderid: 16736966
formula: C41H67N1O16
inchikey: FFXJTOKFQATYBI-YYIKQOPCSA-N
norman_susdat_id: NS00011689
pubchem_cid: 20055484
inchi:
InChI=1S/C41H67NO16/c1-11-30(45)55-29-19-32(47)51-22(4)18-28-27(54-28)14-13-26(44)21(3)17-25(15-16-43)37(38(29)50-10)58-40-35(48)34(42(8)9)36(23(5)53-40)57-33-20-41(7,49)39(24(6)52-33)56-31(46)12-2/h13-14,16,21-29,33-40,44,48-49H,11-12,15,17-20H2,1-10H3/b14-13+/t21?,22?,23-,24-,25?,26?,27?,28?,29?,33-,34-,35-,36-,37?,38?,39-,40+,41+/m0/s1

smiles:
CCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2N(C)C)O)OC3C(CC(C(/C=C/C4C(O4)CC(OC(=O)CC(C3OC)OC(=O)CC)C)O)C)CC=O)C)C


name: [4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium hydroxide
cas: 35919-71-2
formula: C25H30N3.HO
inchikey: DTZKQLMCGDSBNI-UHFFFAOYSA-M
norman_susdat_id: NS00088898
smiles: [OH-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
inchi:
InChI=1/C25H30N3.H2O/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H2/q+1;/p-1


name: Tetrapropylammonium trifluoromethanesulphonate
cas: 35925-48-5
formula: C12H28N.CF3O3S
inchikey: IGVWFPZXBUTUCG-UHFFFAOYSA-M
norman_susdat_id: NS00089133
smiles: CCC[N+](CCC)(CCC)CCC.[O-]S(=O)(=O)C(F)(F)F
inchi:
InChI=1/C12H28N.CHF3O3S/c1-5-9-13(10-6-2,11-7-3)12-8-4;2-1(3,4)8(5,6)7/h5-12H2,1-4H3;(H,5,6,7)/q+1;/p-1


name: 2',3',10,11-tetrahydro-2'-methylspiro[5H-dibenzo[a,d]cycloheptene-5,1'-[1H]isoindole]
cas: 35926-76-2
dtxsid: DTXSID70189492
formula: C23H21N
inchikey: LHTVZDOHGJLKNS-UHFFFAOYSA-N
norman_susdat_id: NS00057925
pubchem_cid: 628274
smiles: C=1C=CC2=C(C1)CN(C)C23C=4C=CC=CC4CCC=5C=CC=CC53
inchi:
InChI=1/C23H21N/c1-24-16-19-10-4-7-13-22(19)23(24)20-11-5-2-8-17(20)14-15-18-9-3-6-12-21(18)23/h2-13H,14-16H2,1H3


name: 10,11-dihydro-2'-methylspiro[5H-dibenzo[a,d]cycloheptene-5,1'-[1H]isoindole]-3'(2'H)-one
cas: 35926-77-3
dtxsid: DTXSID30189493
formula: C23H19NO
inchikey: NGMFSGAQSFCZQT-UHFFFAOYSA-N
norman_susdat_id: NS00057926
pubchem_cid: 2724128
smiles: O=C1C=2C=CC=CC2C3(C=4C=CC=CC4CCC=5C=CC=CC53)N1C
inchi:
InChI=1/C23H19NO/c1-24-22(25)18-10-4-7-13-21(18)23(24)19-11-5-2-8-16(19)14-15-17-9-3-6-12-20(17)23/h2-13H,14-15H2,1H3


name: Methandriol dipropionate
cas: 3593-85-9
chebiid: CHEBI:34835
formula: C26H40O4
inchikey: YUKFLTKJFMBYJM-QNSWYLPSSA-N
norman_susdat_id: NS00047701
pubchem_cid: 107421
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)CC)C)C2(C)CC1)CC
inchi:
InChI=1/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3


name: 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-heptanoate
cas: 3593-92-8
chemspiderid: 96676
dtxsid: DTXSID10189496
formula: C28H40O6
inchikey: FCPICBCSNRSSEJ-JGCKISFHSA-N
norman_susdat_id: NS00029949
pubchem_cid: 107422
smiles: CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
inchi:
InChI=1S/C28H40O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-21,25,33H,4-14,16-17H2,1-3H3/t20-,21-,25+,26-,27-,28-/m0/s1


name: Hydrocortisone 21-hexanoate
cas: 3593-96-2
chebiid: CHEBI:31676
chemspiderid: 96677
dtxsid: DTXSID20872908
formula: C27H40O6
inchikey: XZSVYVIYKBHVMV-FOMYWIRZSA-N
norman_susdat_id: NS00022097
pubchem_cid: 107423
smiles: CCCCCC(=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/C27H40O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h14,19-21,24,29,32H,4-13,15-16H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1


name: 6'-(cyclohexylamino)-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 35933-93-8
dtxsid: DTXSID20885639
formula: C27H25NO3
inchikey: OJMMRJXMDLNRFW-UHFFFAOYSA-N
norman_susdat_id: NS00057960
pubchem_cid: 169735
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)C)NC5CCCCC5)C=6C=CC=CC16
inchi:
InChI=1/C27H25NO3/c1-17-11-14-24-23(15-17)27(21-10-6-5-9-20(21)26(29)31-27)22-13-12-19(16-25(22)30-24)28-18-7-3-2-4-8-18/h5-6,9-16,18,28H,2-4,7-8H2,1H3


name: 9,10-Anthracenedione, 1-amino-4-[(5-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
cas: 35940-77-3
chemspiderid: 4588946
dtxsid: DTXSID7067950
formula: C28H17N3O4
inchikey: BHEDXNLFJIFQFR-UHFFFAOYSA-N
norman_susdat_id: NS00029951
pubchem_cid: 5486510
smiles: Nc1cccc2c1C(=O)c1cccc(Nc3ccc(N)c4c3C(=O)c3c(cccc3)C4=O)c1C2=O
inchi:
InChI=1S/C28H17N3O4/c29-17-9-3-7-15-21(17)27(34)16-8-4-10-19(22(16)28(15)35)31-20-12-11-18(30)23-24(20)26(33)14-6-2-1-5-13(14)25(23)32/h1-12,31H,29-30H2


name: 1-(2-hydroxy-5-methylphenyl)dodecan-1-one oxime
cas: 35940-93-3
chemspiderid: 57342739
formula: C19H31N1O2
inchikey: OOXQDZTUGOJLHK-UHFFFAOYSA-N
norman_susdat_id: NS00002010
pubchem_cid: NA
smiles: CCCCCCCCCCCC(=NO)c1cc(C)ccc1O
inchi:
InChI=1S/C19H31NO2/c1-3-4-5-6-7-8-9-10-11-12-18(20-22)17-15-16(2)13-14-19(17)21/h13-15,21-22H,3-12H2,1-2H3


name: 4-[(5-chloro-2-oxo-2H-benzothiazol-3-yl)acetyl]piperazine-1-ethanol monohydrochloride
cas: 35941-71-0
chebiid: CHEBI:32222
dtxsid: DTXSID6048757
formula: C15H18ClN3O3S
inchikey: UKNGDQSYPNBJAO-UHFFFAOYSA-N
norman_susdat_id: NS00059008
pubchem_cid: 443949
smiles: Cl.O=C1SC2=CC=C(Cl)C=C2N1CC(=O)N3CCN(CCO)CC3
inchi:
InChI=1/C15H18ClN3O3S.ClH/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20;/h1-2,9,20H,3-8,10H2;1H


name: Herqueichrysin
cas: 35943-23-8
chemspiderid: 269041
dtxsid: DTXSID60307845
formula: C20H20O6
inchikey: RFUGLBPILINWDW-UHFFFAOYSA-N
norman_susdat_id: NS00094924
pubchem_cid: 304248
smiles: CC1C(C2=C(O1)C3=C4C(=C2O)C(=CC(=O)C4=C(C(=C3O)O)OC)C)(C)C
inchi:
InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)15(22)14-18(26-8(2)20(14,3)4)13(12)16(23)17(24)19(11)25-5/h6,8,22-24H,1-5H3


name: Triciribine
cas: 35943-35-2
chebiid: CHEBI:65310
dtxsid: DTXSID6045743
formula: C13H16N6O4
inchikey: HOGVTUZUJGHKPL-HTVVRFAVSA-N
norman_susdat_id: NS00069245
pubchem_cid: 65399
smiles: Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23
inchi:
InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1


name: Calcium glycinate (1:2)
cas: 35947-07-0
formula: C2H5NO2.1/2Ca
inchikey: NIFIHZMTHYEXTG-UHFFFAOYSA-L
norman_susdat_id: NS00089584
smiles: [CaH2].NCC(=O)[O-].NCC(=O)[O-]
inchi:
InChI=1/2C2H5NO2.Ca.2H/c2*3-1-2(4)5;;;/h2*1,3H2,(H,4,5);;;/q;;+2;;/p-2/r2C2H5NO2.CaH2/c2*3-1-2(4)5;/h2*1,3H2,(H,4,5);1H2/q;;+2/p-2


name: 2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 35954-29-1
formula: C17H16N5O6S
inchikey: MOWONGIRBKAENJ-UHFFFAOYSA-N
norman_susdat_id: NS00057571
pubchem_cid: NA
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2O)[N+](=O)[O-])S(=O)(=O)C)C=3C=CC=CC3
inchi:
InChI=1/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,23H,1-2H3


name: 4-[(2,4-dinitrophenyl)azo]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline
cas: 35954-85-9
formula: C22H31N5O6
inchikey: FIZMOUUDNDBXRY-UHFFFAOYSA-N
norman_susdat_id: NS00057452
pubchem_cid: 3015825
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOC(OCC(C)C)C)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H29N5O6/c1-5-25(12-13-32-17(4)33-15-16(2)3)19-8-6-18(7-9-19)23-24-21-11-10-20(26(28)29)14-22(21)27(30)31/h6-11,14,16-17H,5,12-13,15H2,1-4H3


name: Tetrabutyl ethylidenebisphenol
cas: 35958-30-6
chemspiderid: 106244
dtxsid: DTXSID4038899
formula: C30H46O2
inchikey: DXCHWXWXYPEZKM-UHFFFAOYSA-N
norman_susdat_id: NS00020805
pubchem_cid: 118899
smiles: CC(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C30H46O2/c1-18(21-14-19(27(2,3)4)16-23(25(21)31)29(8,9)10)22-15-20(28(5,6)7)17-24(26(22)32)30(11,12)13/h14-18,31-32H,1-13H3


name: (3R,4R,5R)-4-benzyloxy-5-[(1R)-I ,2-dibenzyloxyethyl] tetrahydrofuran-2,3-diol
cas: 35958-64-6
chemspiderid: 9256015
formula: C27H30O6
inchikey: ZEJKXJXUVQVSEA-OGJKZRMOSA-N
norman_susdat_id: NS00007881
pubchem_cid: 11080867
smiles: OC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
inchi:
InChI=1S/C27H30O6/c28-24-26(32-18-22-14-8-3-9-15-22)25(33-27(24)29)23(31-17-21-12-6-2-7-13-21)19-30-16-20-10-4-1-5-11-20/h1-15,23-29H,16-19H2/t23-,24-,25-,26-,27?/m1/s1


name: 2',5'-Dideoxyuridine
cas: 35959-50-3
dtxsid: DTXSID00332151
formula: C9H12N2O4
inchikey: FDCFKLBIAIKUKB-GKROBHDKSA-N
norman_susdat_id: NS00069448
pubchem_cid: 444320
smiles: C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
inchi:
InChI=1S/C9H12N2O4/c1-5-6(12)4-8(15-5)11-3-2-7(13)10-9(11)14/h2-3,5-6,8,12H,4H2,1H3,(H,10,13,14)/t5-,6+,8-/m1/s1


name: CYR-101
cas: 359625-79-9
dtxsid: DTXSID10189512
formula: C22H23FN2O2
inchikey: RNRYULFRLCBRQS-UHFFFAOYSA-N
norman_susdat_id: NS00073400
pubchem_cid: 9799284
smiles: O=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1
inchi:
InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2


name: Valtorcitabine
cas: 359689-54-6
dtxsid: DTXSID60870342
formula: C14H22N4O5
inchikey: VFCYZPOEGWLYRM-QCZKYFFMSA-N
norman_susdat_id: NS00072774
pubchem_cid: 9927346
smiles: CC(C)[C@H](N)C(=O)O[C@@H]1C[C@@H](n2ccc(N)nc2=O)O[C@H]1CO
inchi:
InChI=1S/C14H22N4O5/c1-7(2)12(16)13(20)23-8-5-11(22-9(8)6-19)18-4-3-10(15)17-14(18)21/h3-4,7-9,11-12,19H,5-6,16H2,1-2H3,(H2,15,17,21)/t8-,9+,11+,12+/m1/s1


name: Ethanone, 2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenyl-
cas: 35976-48-8
chemspiderid: 106247
dtxsid: DTXSID2067953
formula: C21H17N1O1S1
inchikey: GQYDZBRCPSLDOG-UHFFFAOYSA-N
norman_susdat_id: NS00029960
pubchem_cid: 118902
smiles: CCn1/c(=C/C(=O)c2ccccc2)/sc2ccc3ccccc3c12
inchi:
InChI=1S/C21H17NOS/c1-2-22-20(14-18(23)16-9-4-3-5-10-16)24-19-13-12-15-8-6-7-11-17(15)21(19)22/h3-14H,2H2,1H3/b20-14-


name: Acetopromazine maleate
cas: 3598-37-6
dtxsid: DTXSID6047783
formula: C23H26N2O5S
inchikey: FQRHOOHLUYHMGG-BTJKTKAUSA-N
norman_susdat_id: NS00076366
smiles: OC(=O)C=C/C(O)=O.CN(C)CCCN1C2=C(SC3=C1C=C(C=C3)C(C)=O)C=CC=C2
inchi:
InChI=1S/C19H22N2OS.C4H4O4/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;5-3(6)1-2-4(7)8/h4-5,7-10,13H,6,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-


name: Diethyl 2,6-dihydroxy-2,6-bis(nonafluorobutyl)-4-phenyloxane-3,5-dicarboxylate
cas: 359875-73-3
dtxsid: DTXSID40896287
formula: C25H20F18O7
inchikey: VADLDXMTZVOQGZ-UHFFFAOYSA-N
norman_susdat_id: NS00110438
inchi:
InChI=1/C25H20F18O7/c1-3-48-14(44)12-11(10-8-6-5-7-9-10)13(15(45)49-4-2)17(47,19(28,29)21(32,33)23(36,37)25(41,42)43)50-16(12,46)18(26,27)20(30,31)22(34,35)24(38,39)40/h5-9,11-13,46-47H,3-4H2,1-2H3

smiles:
CCOC(=O)C1C(C(C(=O)OCC)C(O)(OC1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1


name: Gummiferin
cas: 35988-26-2
dtxsid: DTXSID90275386
formula: C31H46O19S2
inchikey: CYBVQIBJEFQVPD-GWDNDVLHSA-N
norman_susdat_id: NS00073104
pubchem_cid: 46936378
inchi:
InChI=1S/C31H46O19S2/c1-14(2)9-21(32)48-24-23(50-52(42,43)44)22(49-51(39,40)41)18(13-45-38)47-26(24)46-17-11-29(4)19-6-5-16-10-30(19,25(33)15(16)3)8-7-20(29)31(12-17,27(34)35)28(36)37/h14,16-20,22-26,33,38H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37)(H,39,40,41)(H,42,43,44)/t16-,17-,18+,19-,20-,22+,23+,24-,25+,26+,29-,30-/m1/s1

smiles:
C=C1[C@H](O)[C@@]23CC[C@H]4C(C(=O)O)(C(=O)O)C[C@H](O[C@H]5O[C@@H](COO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@]4(C)[C@H]2CC[C@@H]1C3


name: Cys-ala-thr
cas: 35988-42-2
chebiid: CHEBI:161098
chemspiderid: 16569974
formula: C10H19N3O5S1
inchikey: YFXFOZPXVFPBDH-VZFHVOOUSA-N
norman_susdat_id: NS00001679
pubchem_cid: NA
smiles: CC(C(C(=O)O)NC(=O)C(C)NC(=O)C(CS)N)O
inchi:
InChI=1S/C10H19N3O5S/c1-4(12-9(16)6(11)3-19)8(15)13-7(5(2)14)10(17)18/h4-7,14,19H,3,11H2,1-2H3,(H,12,16)(H,13,15)(H,17,18)/t4-,5+,6-,7-/m0/s1


name: Disodium [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonate
cas: 3599-28-8
formula: C9H11AsN6O3.2Na
inchikey: JNAIKRZHFZIVBS-UHFFFAOYSA-L
norman_susdat_id: NS00082797
smiles: [Na+].[Na+].Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)([O-])[O-])n1
inchi:
InChI=1/C9H11AsN6O3.2Na/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19;;/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16);;/q;2*+1/p-2


cas: 3599-32-4
chebiid: CHEBI:31696
dtxsid: DTXSID2023145
formula: C43H49N2O6S2
inchikey: MOFVSTNWEDAEEK-UHFFFAOYSA-M
norman_susdat_id: NS00048364
pubchem_cid: NA
name:
Sodium 2-[7-[3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolin-2-ylidene]hepta-1,3,5-trien-1-yl]-3,3-dimethyl-1-(4-sulfonatobutyl)benz[e]indolinium

inchi:
InChI=1/C43H48N2O6S2.Na/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51;/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])CCCCN1C=2C=CC=3C=CC=CC3C2C(C1=CC=CC=CC=CC4=[N+](C=5C=CC=6C=CC=CC6C5C4(C)C)CCCCS(=O)(=O)[O-])(C)C


name: Glycodeoxycholic acid
cas: 360-65-6
chebiid: CHEBI:27471
chemspiderid: 2299354
formula: C26H43N1O5
inchikey: WVULKSPCQVQLCU-BUXLTGKBSA-N
norman_susdat_id: NS00015129
pubchem_cid: 3035026
smiles: O=C(O)CNC(=O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
inchi:
InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1


name: Nandrolone decanoate
cas: 360-70-3
chebiid: CHEBI:7467
chemspiderid: 9296
dtxsid: DTXSID7023352
formula: C28H44O3
inchikey: JKWKMORAXJQQSR-MOPIKTETSA-N
norman_susdat_id: NS00009587
pubchem_cid: 9677
smiles: CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
inchi:
InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1


name: Amiprofos-methyl
cas: 36001-88-4
chemspiderid: 90823
dtxsid: DTXSID4041600
formula: C11H17N2O4P1S1
inchikey: VHEWQRWLIDWRMR-UHFFFAOYNA-N
norman_susdat_id: NS00029964
pubchem_cid: NA
smiles: COP(=S)(NC(C)C)Oc1c(cc(C)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C11H17N2O4PS/c1-8(2)12-18(19,16-4)17-11-6-5-9(3)7-10(11)13(14)15/h5-8H,1-4H3,(H,12,19)/t18-/m0/s1


cas: 36003-67-5
formula: C22H21ClN2O8.ClH
inchikey: SHFCTZLPLJLPIE-UHFFFAOYSA-N
norman_susdat_id: NS00089388
smiles: Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3(Cl)C(=O)C2(O)C(=O)C(=C1O)C(=O)N
name:
11a-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,11a,12,12a-decahydro-3,5,10,12a-tetrahydroxy-6-methylene-1,11,12-trioxonaphthacene-2-carboxamide hydrochloride

inchi:
InChI=1/C22H21ClN2O8.ClH/c1-7-8-5-4-6-9(26)10(8)17(29)21(23)12(7)16(28)13-14(25(2)3)15(27)11(19(24)31)18(30)22(13,33)20(21)32;/h4-6,12-14,16,26-28,33H,1H2,2-3H3,(H2,24,31);1H


name: N,N'-Hexane-1,6-diylbis(6-hydroxyhexanamide)
cas: 36011-12-8
chemspiderid: 13488490
dtxsid: DTXSID30189579
formula: C18H36N2O4
inchikey: VLSPLZWMDJVMRP-UHFFFAOYSA-N
norman_susdat_id: NS00029965
pubchem_cid: 22621443
smiles: OCCCCCC(=O)NCCCCCCNC(=O)CCCCCO
inchi:
InChI=1S/C18H36N2O4/c21-15-9-3-5-11-17(23)19-13-7-1-2-8-14-20-18(24)12-6-4-10-16-22/h21-22H,1-16H2,(H,19,23)(H,20,24)


name: N,N'-bis(1-methyl-2-oxo-2-phenylethyl)terephthaldiamide
cas: 36018-09-4
dtxsid: DTXSID90885641
formula: C26H24N2O4
inchikey: UGVVFOIUYBMKRX-UHFFFAOYSA-N
norman_susdat_id: NS00057495
pubchem_cid: 118267
smiles: O=C(NC(C(=O)C=1C=CC=CC1)C)C2=CC=C(C=C2)C(=O)NC(C(=O)C=3C=CC=CC3)C
inchi:
InChI=1/C26H24N2O4/c1-17(23(29)19-9-5-3-6-10-19)27-25(31)21-13-15-22(16-14-21)26(32)28-18(2)24(30)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,27,31)(H,28,32)


name: Midecamycin A3
cas: 36025-69-1
chemspiderid: 4949166
formula: C41H65N1O15
inchikey: POOQYAXQHUANTP-BCGBQJBESA-N
norman_susdat_id: NS00011681
pubchem_cid: 6445465
inchi:
InChI=1S/C41H65NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-27,29,33-40,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1

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


name: 17-a-pregn-5-en-20-yne-3-ß,17-ß-diol
cas: 3604-60-2
dtxsid: DTXSID00957444
formula: C21H30O2
inchikey: VGJUOWGYQZYCII-UHFFFAOYSA-N
norman_susdat_id: NS00046986
pubchem_cid: 226542
smiles: C#CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
inchi:
InChI=1/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,5,15-18,22-23H,6-13H2,2-3H3


name: alpha-Ecdysone
cas: 3604-87-3
chebiid: CHEBI:16688
chemspiderid: 18130
dtxsid: DTXSID2020553
formula: C27H44O6
inchikey: UPEZCKBFRMILAV-JMZLNJERSA-N
norman_susdat_id: NS00029970
pubchem_cid: 19212
inchi:
InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

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


name: (E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexenyl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one
cas: 3604-90-8
dtxsid: DTXSID20883993
formula: C33H44O
inchikey: PRDJTOVRIHGKNU-UHFFFAOYSA-N
norman_susdat_id: NS00047010
pubchem_cid: 94269
smiles: O=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C
inchi:
InChI=1/C33H44O/c1-26(16-11-18-28(3)21-23-31(6)34)14-9-10-15-27(2)17-12-19-29(4)22-24-32-30(5)20-13-25-33(32,7)8/h9-12,14-19,21-24H,13,20,25H2,1-8H3


name: Lithium 1,3-dithian-2-ide
cas: 36049-90-8
chemspiderid: NA
dtxsid: DTXSID90448679
formula: C8H9N1O5
inchikey: TZEKKJSZIPSHNY-ZOBQOELFSA-N
norman_susdat_id: NS00010403
pubchem_cid: NA
smiles: [LiH].C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
inchi:
InChI=1S/C8H9NO5.Li.H/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;;/h1,6-7,10H,2-3H2,(H,12,13);;/b4-1-;;/t6-,7-;;/m1../s1


name: Piribedil
cas: 3605-01-4
chebiid: CHEBI:92833
chemspiderid: 4684
dtxsid: DTXSID9045188
formula: C16H18N4O2
inchikey: OQDPVLVUJFGPGQ-UHFFFAOYSA-N
norman_susdat_id: NS00008358
pubchem_cid: 4850
smiles: C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
inchi:
InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2


name: (butan-2-olato)bis(propan-2-olato)aluminium
cas: 3605-65-0
formula: C10H23AlO3
inchikey: RDASHQZXQNLNMG-UHFFFAOYSA-N
norman_susdat_id: NS00082361
smiles: CCC(C)O[Al](OC(C)C)OC(C)C
inchi:
InChI=1/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3/rC10H23AlO3/c1-7-10(6)14-11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3


cas: 36058-55-6
dtxsid: DTXSID40189626
formula: C14H12Cl2N3S
inchikey: MFDMEJGNEORAFR-UHFFFAOYSA-K
norman_susdat_id: NS00057515
pubchem_cid: 56842356
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N#[N+]C=1C=C(SC2=CC=C(Cl)C=C2)C(=CC1Cl)N(C)C
name:
2-chloro-5-[(4-chlorophenyl)thio]-4-(dimethylamino)benzenediazonium chloride, compound with zinc chloride

inchi:
InChI=1/C14H12Cl2N3S.3ClH.Zn/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;;;;/h3-8H,1-2H3;3*1H;/q+1;;;;+2/p-3


name: Dihydrosanguinarine
cas: 3606-45-9
chebiid: CHEBI:17209
chemspiderid: 110567
dtxsid: DTXSID00189627
formula: C20H15NO4
inchikey: CIUHLXZTZWTVFL-UHFFFAOYSA-N
norman_susdat_id: NS00094596
pubchem_cid: 124069
smiles: CN1CC2=C(C=CC3=C2OCO3)C2=C1C1=CC3=C(OCO3)C=C1C=C2
inchi:
InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3


name: Tetrahydrocurcumin
cas: 36062-04-1
chebiid: CHEBI:67263
chemspiderid: 110569
dtxsid: DTXSID30865801
formula: C21H24O6
inchikey: LBTVHXHERHESKG-UHFFFAOYSA-N
norman_susdat_id: NS00003846
pubchem_cid: 124072
smiles: COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
inchi:
InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3


name: Methyl (3ß,19a)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate
cas: 36063-55-5
formula: C22H26N2O4
inchikey: KXEMQEGRZWUKJS-VDESFZGPSA-N
norman_susdat_id: NS00089390
smiles: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12
inchi:
InChI=1/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3


cas: 36067-56-8
formula: C38H54O12
inchikey: RRPAPBCRZGEXTR-UHFFFAOYSA-N
norman_susdat_id: NS00057120
pubchem_cid: 118275
name:
(10a)-16a-[(2-O-acetyl-6-deoxy-a-L-ribo-hexopyranos-3-ulos-1-yl)oxy]-2ß,20,25-trihydroxy-9ß-methyl-19-norlanosta-5,23(E)-diene-3,11,22-trione

inchi:
InChI=1/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3

smiles:
O=C(OC1C(=O)C(O)C(OC1OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C(=O)CC3(C)C2C(O)(C(=O)C=CC(O)(C)C)C)C)C)C


name: Pseudojervine
cas: 36069-05-3
chemspiderid: 16398499
formula: C33H49NO8
inchikey: HYDDDNUKNMMWBD-VPLHBGEQSA-N
norman_susdat_id: NS00094303
pubchem_cid: 16739509
smiles:
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5C(=O)C4=C3C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)NC1


name: Bromo(3-bromopropyl)triphenylphosphorus
cas: 3607-17-8
dtxsid: DTXSID20957481
formula: C21H21Br2P
inchikey: NJRKPKTXYKPQII-UHFFFAOYSA-N
norman_susdat_id: NS00047722
pubchem_cid: 621685
smiles: BrCCCP(Br)(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H21Br2P/c22-17-10-18-24(23,19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18H2


name: 9-Octadecenoic acid (9Z)-, dodecyl ester
cas: 36078-10-1
chemspiderid: 4831401
dtxsid: DTXSID7067956
formula: C30H58O2
inchikey: OXPCWUWUWIWSGI-WUKNDPDISA-N
norman_susdat_id: NS00002943
pubchem_cid: 6174142
smiles: CCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3/b17-16+


name: 9-(3-Deoxypentofuranosyl)-2-imino-3,9-dihydro-2H-purin-6-ol
cas: 3608-58-0
dtxsid: DTXSID80957487
formula: C10H13N5O4
inchikey: OROIAVZITJBGSM-OBXARNEKSA-N
norman_susdat_id: NS00070184
smiles: Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2O)c(=O)[nH]1
inchi:
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1


name: Enpiperate
cas: 3608-67-1
chemspiderid: 65077
dtxsid: DTXSID20189664
formula: C20H23N1O3
inchikey: UGYPGJCVNPPUPE-UHFFFAOYSA-N
norman_susdat_id: NS00029975
pubchem_cid: 77157
smiles: CN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3


name: Biapenem
cas: 36085-73-1
chebiid: CHEBI:3089
chemspiderid: 64442
formula: C15H19N4O4S1
inchikey: MRMBZHPJVKCOMA-YJFSRANCSA-N
norman_susdat_id: NS00011610
pubchem_cid: 71339
smiles: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3Cn4cnc[n+]4C3)C(=O)[O-])[C@@H](C)O
inchi:
InChI=1S/C15H18N4O4S/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)24-9-3-17-5-16-6-18(17)4-9/h5-11,20H,3-4H2,1-2H3/t7-,8-,10-,11-/m1/s1


name: Diethyl 2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]bisacetate
cas: 36086-89-2
dtxsid: DTXSID10957490
formula: C23H22O8
inchikey: ITJJTERMXJOUEE-UHFFFAOYSA-N
norman_susdat_id: NS00057580
pubchem_cid: 118907
smiles: O=C(OCC)COC=1C=C2OC(=CC(=O)C2=C(OCC(=O)OCC)C1)C=3C=CC=CC3
inchi:
InChI=1/C23H22O8/c1-3-27-21(25)13-29-16-10-19(30-14-22(26)28-4-2)23-17(24)12-18(31-20(23)11-16)15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3


name: Salantel
cas: 36093-47-7
chemspiderid: 105642
dtxsid: DTXSID70189674
formula: C20H11Cl2I2N1O3
inchikey: IYOGQJKSVBNXBF-UHFFFAOYSA-N
norman_susdat_id: NS00040641
pubchem_cid: 185463
smiles: Oc1c(I)cc(I)cc1C(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1
inchi:
InChI=1S/C20H11Cl2I2NO3/c21-11-3-1-10(2-4-11)18(26)14-6-5-13(9-16(14)22)25-20(28)15-7-12(23)8-17(24)19(15)27/h1-9,27H,(H,25,28)


name: 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)sulfanyl]butane-1-thiol
cas: 36097-07-1
dtxsid: DTXSID30896610
formula: C12H13F13S2
inchikey: IWRNCVRDDHBTAD-UHFFFAOYSA-N
norman_susdat_id: NS00110127
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSCCCCS
inchi:
InChI=1S/C12H13F13S2/c13-7(14,3-6-27-5-2-1-4-26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,1-6H2


name: Sodium cholate
cas: 361-09-1
chebiid: CHEBI:26711
formula: C24H40O5.Na
inchikey: NRHMKIHPTBHXPF-TUJRSCDTSA-M
norman_susdat_id: NS00079402
inchi:
InChI=1/C24H40O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1

smiles:
[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C


name: Methysergide
cas: 361-37-5
chebiid: CHEBI:92629
chemspiderid: 9300
dtxsid: DTXSID2023307
formula: C21H27N3O2
inchikey: KPJZHOPZRAFDTN-ZRGWGRIASA-N
norman_susdat_id: NS00001621
pubchem_cid: 9681
smiles: CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
inchi:
InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1


name: 5a,6a-epoxy-11ß-hydroxypregnane-3,20-dione, cyclic bis(ethylene acetal)
cas: 36102-95-1
dtxsid: DTXSID60957506
formula: C25H38O6
inchikey: PSKFLZFMMLBNMX-UHFFFAOYSA-N
norman_susdat_id: NS00057135
pubchem_cid: NA
smiles: OC1CC2(C)C(CCC2C3(OCCO3)C)C4CC5OC65CC7(OCCO7)CCC6(C)C14
inchi:
InChI=1/C25H38O6/c1-21-13-17(26)20-15(16(21)4-5-18(21)23(3)27-8-9-28-23)12-19-25(31-19)14-24(29-10-11-30-24)7-6-22(20,25)2/h15-20,26H,4-14H2,1-3H3


name: Camazepam
cas: 36104-80-0
chebiid: CHEBI:135570
chemspiderid: 34285
formula: C19H18Cl1N3O3
inchikey: PXBVEXGRHZFEOF-UHFFFAOYSA-N
norman_susdat_id: NS00008965
pubchem_cid: 37367
smiles: CN(C)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O
inchi:
InChI=1S/C19H18ClN3O3/c1-22(2)19(25)26-17-18(24)23(3)15-10-9-13(20)11-14(15)16(21-17)12-7-5-4-6-8-12/h4-11,17H,1-3H3


name: Flurazepam monohydrochloride
cas: 36105-20-1
chebiid: CHEBI:31626
dtxsid: DTXSID40189686
formula: C21H24Cl2FN3O
inchikey: PUGVROXLRUQCAF-UHFFFAOYSA-N
norman_susdat_id: NS00076288
smiles: Cl.CCN(CC)CCN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1F
inchi:
InChI=1S/C21H23ClFN3O.ClH/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23;/h5-10,13H,3-4,11-12,14H2,1-2H3;1H


cas: 36116-25-3
formula: C19H22ClN7
inchikey: ZWYBMYDAKNKDJC-UHFFFAOYSA-N
norman_susdat_id: NS00057517
pubchem_cid: 169750
smiles: N#CCCN(C1=CC=C(N=NC2=CC(Cl)=CC3=C2[NH+](NN3C)C)C=C1)CC.O=S(=O)([O-])OC
name:
5-chloro-7-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium methyl sulphate

inchi:
InChI=1/C19H22ClN7.CH4O4S/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5-6(2,3)4/h6-9,12-13,24H,4-5,11H2,1-3H3;1H3,(H,2,3,4)


name: 4-chloro-3-[[4-[(2-cyanoethyl)ethylamino]-m-tolyl]azo]-N,N,N-trimethylanilinium chloride
cas: 36116-28-6
dtxsid: DTXSID10885643
formula: C21H27ClN5
inchikey: UIYVETREORAYQD-UHFFFAOYSA-M
norman_susdat_id: NS00057518
pubchem_cid: 21119801
smiles: [Cl-].N#CCCN(C1=CC=C(N=NC2=CC(=CC=C2Cl)[N+](C)(C)C)C=C1C)CC
inchi:
InChI=1/C21H27ClN5.ClH/c1-6-26(13-7-12-23)21-11-8-17(14-16(21)2)24-25-20-15-18(27(3,4)5)9-10-19(20)22;/h8-11,14-15H,6-7,13H2,1-5H3;1H/q+1;/p-1


name: 3-(dodecenyl)pyrrolidine-2,5-dione
cas: 36117-08-5
formula: C16H27NO2
inchikey: YGFOTRAPPJDADS-UHFFFAOYSA-N
norman_susdat_id: NS00057567
pubchem_cid: 3015833
smiles: O=C1NC(=O)C(C=CCCCCCCCCCC)C1
inchi:
InChI=1/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)


name: 9,10-Dibenzylanthracene
cas: 3613-42-1
chemspiderid: 69597
dtxsid: DTXSID60189704
formula: C28H22
inchikey: FMVRRCDBALUUBI-UHFFFAOYSA-N
norman_susdat_id: NS00029981
pubchem_cid: 77160
smiles: C(c1ccccc1)c1c2ccccc2c(Cc2ccccc2)c2ccccc12
inchi:
InChI=1S/C28H22/c1-3-11-21(12-4-1)19-27-23-15-7-9-17-25(23)28(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2


name: Latrepirdine
cas: 3613-73-8
chebiid: CHEBI:92976
dtxsid: DTXSID20189705
formula: C21H25N3
inchikey: JNODQFNWMXFMEV-UHFFFAOYSA-N
norman_susdat_id: NS00070385
pubchem_cid: 197033
smiles: Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1
inchi:
InChI=1S/C21H25N3/c1-15-4-7-20-18(12-15)19-14-23(3)10-9-21(19)24(20)11-8-17-6-5-16(2)22-13-17/h4-7,12-13H,8-11,14H2,1-3H3


name: Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6a,11ÃŸ,16a)-
cas: 36130-02-6
chemspiderid: NA
formula: C27H37F1O5
inchikey: ASVQNGFDDHFBPT-VJBCMVKLSA-N
norman_susdat_id: NS00001505
pubchem_cid: 92030071
smiles: CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
inchi:
InChI=1S/C27H37FO5/c1-5-6-7-23(32)33-14-22(31)24-15(2)10-18-17-12-20(28)19-11-16(29)8-9-26(19,3)25(17)21(30)13-27(18,24)4/h8-9,11,15,17-18,20-21,24-25,30H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,21+,24-,25-,26+,27+/m1/s1


name: Elzasonan
cas: 361343-19-3
chemspiderid: 5290108
dtxsid: DTXSID7047277
formula: C22H23Cl2N3O1S1
inchikey: LHYMPSWMHXUWSK-STZFKDTASA-N
norman_susdat_id: NS00015623
pubchem_cid: 6914152
smiles: CN1CCN(CC1)C2=CC=CC=C2C=C3C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl
inchi:
InChI=1S/C22H23Cl2N3OS/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14-


name: ethyl 1-(2-mesitylacetoxy)cyclopentanecarboxylate
cas: 361366-15-6
chemspiderid: 9590778
formula: C19H26O4
inchikey: LNKZIQLVZGPGJY-UHFFFAOYSA-N
norman_susdat_id: NS00004357
pubchem_cid: 11415891
smiles: CCOC(=O)C1(CCCC1)OC(=O)Cc1c(C)cc(C)cc1C
inchi:
InChI=1S/C19H26O4/c1-5-22-18(21)19(8-6-7-9-19)23-17(20)12-16-14(3)10-13(2)11-15(16)4/h10-11H,5-9,12H2,1-4H3


name: ethyl 1-[2-(2,4-dichlorophenyl)acetoxy]cyclohexanecarboxylate
cas: 361366-16-7
chemspiderid: 19113010
formula: C17H20Cl2O4
inchikey: RDKYUGAYISTHTP-UHFFFAOYSA-N
norman_susdat_id: NS00007530
pubchem_cid: 22894816
smiles: CCOC(=O)C1(CCCCC1)OC(=O)Cc1ccc(Cl)cc1Cl
inchi:
InChI=1S/C17H20Cl2O4/c1-2-22-16(21)17(8-4-3-5-9-17)23-15(20)10-12-6-7-13(18)11-14(12)19/h6-7,11H,2-5,8-10H2,1H3


name: Fluoxastrobin
cas: 361377-29-9
chebiid: CHEBI:83253
chemspiderid: 9223963
dtxsid: DTXSID2034625
formula: C21H16Cl1F1N4O5
inchikey: UFEODZBUAFNAEU-NLRVBDNBSA-N
norman_susdat_id: NS00008659
pubchem_cid: 11048796
smiles: CON=C(C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
inchi:
InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+


name: Vaccinoside
cas: 36138-58-6
chemspiderid: 56776351
formula: C25H28O13
inchikey: WJPRKOJNQIZCGY-OZOLURDPSA-N
norman_susdat_id: NS00093958
pubchem_cid: 29814259
smiles:
C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(COC(=O)/C=C/C4=CC=C(C=C4)O)O


name: Bis(benzyl) 1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 36138-79-1
dtxsid: DTXSID90957554
formula: C23H23NO4
inchikey: LWHZWKSQCVJBGZ-UHFFFAOYSA-N
norman_susdat_id: NS00057568
pubchem_cid: 12237341
smiles: O=C(OCC=1C=CC=CC1)C2=C(NC(=C(C(=O)OCC=3C=CC=CC3)C2)C)C
inchi:
InChI=1/C23H23NO4/c1-16-20(22(25)27-14-18-9-5-3-6-10-18)13-21(17(2)24-16)23(26)28-15-19-11-7-4-8-12-19/h3-12,24H,13-15H2,1-2H3


name: Emepronium bromide
cas: 3614-30-0
dtxsid: DTXSID50875265
formula: C20H28N
inchikey: UVKFSMBPRQBNCH-UHFFFAOYSA-M
norman_susdat_id: NS00047061
pubchem_cid: 71820
smiles: [Br-].C=1C=CC(=CC1)C(C=2C=CC=CC2)CC(C)[N+](C)(C)CC
inchi:
InChI=1/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1


name: 4-(acetylamino)-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
cas: 3614-38-8
dtxsid: DTXSID10957556
formula: C16H25N3O3
inchikey: DOICERWTDRJLRV-UHFFFAOYSA-N
norman_susdat_id: NS00047771
pubchem_cid: 77161
smiles: O=C(NCCN(CC)CC)C1=CC=C(C=C1OC)NC(=O)C
inchi:
InChI=1/C16H25N3O3/c1-5-19(6-2)10-9-17-16(21)14-8-7-13(18-12(3)20)11-15(14)22-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,21)(H,18,20)


name: Dimetindene hydrogen maleate
cas: 3614-69-5
formula: C20H24N2.C4H4O4
inchikey: SWECWXGUJQLXJF-UHFFFAOYSA-N
norman_susdat_id: NS00083125
smiles: CC(C=1c2ccccc2CC=1CCN(C)C)c3ccccn3.OC(=O)C=CC(O)=O
inchi:
InChI=1/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: Diamfenetide
cas: 36141-82-9
chemspiderid: 34298
dtxsid: DTXSID5046229
formula: C20H24N2O5
inchikey: JNEZCZPNQCQCFK-UHFFFAOYSA-N
norman_susdat_id: NS00029982
pubchem_cid: 37384
smiles: CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(=O)C)cc2)cc1
inchi:
InChI=1S/C20H24N2O5/c1-15(23)21-17-3-7-19(8-4-17)26-13-11-25-12-14-27-20-9-5-18(6-10-20)22-16(2)24/h3-10H,11-14H2,1-2H3,(H,21,23)(H,22,24)


name: 2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carboxamide
cas: 361440-32-6
formula: C7H13NO7
inchikey: DTZYCNDAJQDPQC-UHKLXPPTSA-N
norman_susdat_id: NS00070029
pubchem_cid: 447771
smiles: NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C7H13NO7/c8-6(13)7(14)5(12)4(11)3(10)2(1-9)15-7/h2-5,9-12,14H,1H2,(H2,8,13)/t2-,3-,4+,5-,7-/m1/s1


name: (2S)-[(tert-butoxycarbonyl)amino](3-hydroxytricyclo[3.3.1.1 3,7]dec-1-yl)acetic acid
cas: 361442-00-4
chemspiderid: 9898559
formula: C17H27N1O5
inchikey: UKCKDSNFBFHSHC-UHFFFAOYSA-N
norman_susdat_id: NS00007408
pubchem_cid: 23596413
smiles: CC(C)(C)OC(=O)NC(C(O)=O)C12CC3CC(CC(O)(C3)C1)C2
inchi:
InChI=1S/C17H27NO5/c1-15(2,3)23-14(21)18-12(13(19)20)16-5-10-4-11(6-16)8-17(22,7-10)9-16/h10-12,22H,4-9H2,1-3H3,(H,18,21)(H,19,20)


name: Saxagliptin
cas: 361442-04-8
chemspiderid: 9419005
dtxsid: DTXSID7048580
formula: C18H25N3O2
inchikey: QGJUIPDUBHWZPV-UHFFFAOYSA-N
norman_susdat_id: NS00006236
pubchem_cid: 58391580
smiles: NC(C(=O)N1C2CC2CC1C#N)C12CC3CC(CC(O)(C3)C1)C2
inchi:
InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2


cas: 36148-59-1
formula: C26H33N3.Cl4Zn
inchikey: DFWNDZXBHVLQRA-UHFFFAOYSA-J
norman_susdat_id: NS00088740
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)[N+](C)(C)C.Cl[Zn-2](Cl)(Cl)Cl
name:
4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium tetrachlorozincate

inchi:
InChI=1/C26H33N3.4ClH.Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;;;;/h8-19H,1-7H3;4*1H;/q+2;;;;;+2/p-4/rC26H33N3.Cl4Zn/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;1-5(2,3)4/h8-19H,1-7H3;/q+2;-2


name: dl-alpha-Tocopheryl linoleate
cas: 36148-84-2
chemspiderid: 4939150
dtxsid: DTXSID6052037
formula: C47H80O3
inchikey: OFUHPGMOWVHNPN-NFYLBXPESA-N
norman_susdat_id: NS00014160
pubchem_cid: 6434207
smiles: CCCCC/C=CCC=C/CCCCCCCC(=O)Oc1c(C)c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c1C
inchi:
InChI=1S/C47H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-44(48)49-45-40(6)41(7)46-43(42(45)8)34-36-47(9,50-46)35-27-32-39(5)31-26-30-38(4)29-25-28-37(2)3/h14-15,17-18,37-39H,10-13,16,19-36H2,1-9H3/b15-14-,18-17-


name: (3ß,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
cas: 36149-00-5
formula: C27H44O2
inchikey: JWUBBDSIWDLEOM-PPFLGCPHSA-N
norman_susdat_id: NS00089408
smiles: O[C@@H]3C/C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)(C)O)C(=C)CC3
inchi:
InChI=1/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3


name: 5-trans prostaglandin F2β
cas: 36150-02-4
formula: C20H34O5
inchikey: PXGPLTODNUVGFL-PTTZIUQESA-N
norman_susdat_id: NS00096440
smiles: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)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/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4+,13-12+/t15-,16+,17+,18+,19+/m0/s1


cas: 3616-06-6
chebiid: CHEBI:16082
dtxsid: DTXSID70863225
formula: C14H22N2O16P2
inchikey: DQQDLYVHOTZLOR-OCIMBMBZSA-N
norman_susdat_id: NS00070441
pubchem_cid: 19235
name:
{[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({hydroxy[(3,4,5-trihydroxyoxan-2-yl)oxy]phosphoryl}oxy)phosphinic acid

inchi:
InChI=1S/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)/t5-,6-,8+,9-,10-,11-,12-,13-/m1/s1

smiles:
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1


name: Cellobiose octaacetate
cas: 3616-19-1
formula: C28H38O19
inchikey: WOTQVEKSRLZRSX-HYSGBLIFSA-N
norman_susdat_id: NS00082827
inchi:
InChI=1/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3

smiles:
CC(=O)OC[C@H]1O[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C


name: 1,3-dichloro-a-[2-(dibutylamino)ethyl]-6-(trifluoromethyl)phenanthren-1-methanol hydrochloride
cas: 36167-63-2
dtxsid: DTXSID0045464
formula: C26H32Cl2F3NO
inchikey: DAQVYKLGRHQRJS-UHFFFAOYSA-N
norman_susdat_id: NS00057634
pubchem_cid: NA
smiles: Cl.FC(F)(F)C=1C=CC=2C=CC3=C(C=C(Cl)CC3(Cl)C(O)CCN(CCCC)CCCC)C2C1
inchi:
InChI=1/C26H32Cl2F3NO.ClH/c1-3-5-12-32(13-6-4-2)14-11-24(33)25(28)17-20(27)16-22-21-15-19(26(29,30)31)9-7-18(21)8-10-23(22)25;/h7-10,15-16,24,33H,3-6,11-14,17H2,1-2H3;1H


name: N-(N-((Phenylmethoxy)carbonyl)-L-phenylalanyl)-L-glutamic acid
cas: 3617-46-7
chemspiderid: 96682
dtxsid: DTXSID30189736
formula: C22H24N2O7
inchikey: SQXRAMCBXCVJQK-ROUUACIJSA-N
norman_susdat_id: NS00029989
pubchem_cid: 107430
smiles: OC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C22H24N2O7/c25-19(26)12-11-17(21(28)29)23-20(27)18(13-15-7-3-1-4-8-15)24-22(30)31-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)/t17-,18-/m0/s1


name: exo-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl diphenylglycolate hydrochloride
cas: 36173-66-7
chemspiderid: 2341660
dtxsid: DTXSID50189738
formula: C22H25N1O3
inchikey: KBGDDPWSFYFMKX-IIPFOPBBSA-N
norman_susdat_id: NS00029988
pubchem_cid: 91992730
smiles: [Cl-].CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1.[H+]
inchi:
InChI=1S/C22H25NO3/c1-23-18-12-13-19(23)15-20(14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,25H,12-15H2,1H3/t18-,19+,20+


cas: 3618-43-7
formula: C31H32N2O13S.4Na
inchikey: GAAUERADCKMDLZ-UHFFFAOYSA-K
norman_susdat_id: NS00083132
smiles: Cc1cc(cc(CN(CC(=O)O)CC(=O)O[Na])c1O)C2(c3cc(C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c3)c4ccccc4OS2(=O)=O
name:
Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methylphen-3,1-ylene)methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide

inchi:
InChI=1/C31H32N2O13S.3Na/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)46-47(31,44)45)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41;;;/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41);;;/q;3*+1/p-3


name: Sodium 3-hydroxy-4-[(2-hydroxynaphthyl)azo]-7-nitronaphthalene-1-sulphonate
cas: 3618-58-4
dtxsid: DTXSID00883996
formula: C20H14N3O7S
inchikey: DXRWYIKGBIPGAG-UHFFFAOYSA-M
norman_susdat_id: NS00047781
pubchem_cid: 135484001
smiles: [Na+].O=[N+]([O-])C1=CC=C2C(N=NC3=C(O)C=CC=4C=CC=CC43)=C(O)C=C(C2=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C20H13N3O7S.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1


name: Sodium 5-chloro-3-[(1,5-dihydroxy-2-naphthyl)azo]-2-hydroxybenzenesulphonate
cas: 3618-60-8
formula: C16H11ClN2O6S.Na
inchikey: WZHKOJWGCKMJOJ-UHFFFAOYSA-M
norman_susdat_id: NS00083133
smiles: [Na+].Clc3cc(c(O)c(N=Nc2ccc1c(O)cccc1c2O)c3)S([O-])(=O)=O
inchi:
InChI=1/C16H11ClN2O6S.Na/c17-8-6-12(16(22)14(7-8)26(23,24)25)19-18-11-5-4-9-10(15(11)21)2-1-3-13(9)20;/h1-7,20-22H,(H,23,24,25);/q;+1/p-1


name: Benzenesulfonic acid, 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)azo]-, monosodium salt
cas: 3618-62-0
chemspiderid: 16124909
dtxsid: DTXSID0063101
formula: C12H11N5O6S1
inchikey: QHMUUKSTOXAOST-UHFFFAOYSA-M
norman_susdat_id: NS00020512
pubchem_cid: NA
smiles: [Na+].Nc1cc(N)c(cc1NN=C1C=C(C=CC1=O)[N+](=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C12H11N5O6S/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18/h1-5,15H,13-14H2,(H,21,22,23)/b16-10-


cas: 3618-63-1
dtxsid: DTXSID60883997
formula: C20H16N4O5S
inchikey: FPSFKBGHBCHTOE-UHFFFAOYSA-M
norman_susdat_id: NS00047772
pubchem_cid: 72665
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=C(O)C=C(C=3C=CC=CC23)S(=O)(=O)[O-])C=4C=CC=CC4
name:
Sodium 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C20H16N4O5S.Na/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29;/h2-11,18,25H,1H3,(H,27,28,29);/q;+1/p-1


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2,4-dinitrophenyl)azo]-4-ethoxyphenyl]-
cas: 3618-65-3
chemspiderid: 69604
dtxsid: DTXSID5063102
formula: C24H28N6O10
inchikey: IZFIERQAGQRBQN-UHFFFAOYSA-N
norman_susdat_id: NS00029990
pubchem_cid: 77171
smiles: CCOc1cc(N=Nc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C24H28N6O10/c1-5-38-24-14-21(27-26-19-7-6-18(29(34)35)12-22(19)30(36)37)20(25-15(2)31)13-23(24)28(8-10-39-16(3)32)9-11-40-17(4)33/h6-7,12-14H,5,8-11H2,1-4H3,(H,25,31)/b27-26+


name: C.I. Disperse Blue 79:1
cas: 3618-72-2
chemspiderid: 20483921
dtxsid: DTXSID8027539
formula: C23H25Br1N6O10
inchikey: JSRUDOBCTLPTFO-CYYJNZCTSA-N
norman_susdat_id: NS00019977
pubchem_cid: NA
smiles: COc1c(cc(NC(=O)C)c(c1)N=Nc1c(cc(cc1Br)[N+](=O)[O-])[N+](=O)[O-])N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C23H25BrN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+


name: C.I. Disperse Blue 79 (Cl/methoxy)
cas: 3618-73-3
chemspiderid: 69606
dtxsid: DTXSID0063103
formula: C23H25Cl1N6O10
inchikey: VRTQJBZLCYJJCI-UHFFFAOYSA-N
norman_susdat_id: NS00020299
pubchem_cid: 77173
smiles: COc1cc(N=Nc2c(cc(cc2Cl)[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C23H25ClN6O10/c1-13(31)25-18-11-20(28(5-7-39-14(2)32)6-8-40-15(3)33)22(38-4)12-19(18)26-27-23-17(24)9-16(29(34)35)10-21(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+


