# cl_id

name: Nilprazole
cas: 60662-19-3
chemspiderid: 64963
dtxsid: DTXSID80209473
formula: C26H33N5O2
inchikey: GPFJNGJUUKBSLS-UHFFFAOYSA-N
norman_susdat_id: NS00034425
pubchem_cid: 71956
smiles: CC(C)NC(=O)CN1CCN(Cc2nc3c(cccc3)n2CCC(=O)c2ccccc2)CC1
inchi:
InChI=1S/C26H33N5O2/c1-20(2)27-26(33)19-30-16-14-29(15-17-30)18-25-28-22-10-6-7-11-23(22)31(25)13-12-24(32)21-8-4-3-5-9-21/h3-11,20H,12-19H2,1-2H3,(H,27,33)


cas: 60662-80-8
formula: C21H24N4O8S3
inchikey: NTCAWMHJQWSGTF-UHFFFAOYSA-L
norman_susdat_id: NS00054780
pubchem_cid: 21155986
smiles: [Na+].[Na+].O=S(=O)([O-])C(NC1=CC=C(C=C1)S(=O)(=O)NC=2N=C(N=C(C2)C)C)CC(C=3C=CC=CC3)S(=O)(=O)[O-]
name:
Disodium 1-[[4-[[(2,6-dimethyl-4-pyrimidinyl)amino]sulphonyl]phenyl]amino]-3-phenylpropane-1,3-disulphonate

inchi:
InChI=1/C21H24N4O8S3.2Na/c1-14-12-20(23-15(2)22-14)25-34(26,27)18-10-8-17(9-11-18)24-21(36(31,32)33)13-19(35(28,29)30)16-6-4-3-5-7-16;;/h3-12,19,21,24H,13H2,1-2H3,(H,22,23,25)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: 2,4,6,8-tetramethyl-2,4,6,8-tetrakis[3-(oxiranylmethoxy)propyl]cyclotetrasiloxane
cas: 60665-85-2
dtxsid: DTXSID40976098
formula: C28H56O12Si4
inchikey: BLZDTVROPKIJLZ-UHFFFAOYSA-N
norman_susdat_id: NS00054697
pubchem_cid: 108490
smiles: O(CCC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCCOCC2OC2)(C)CCCOCC3OC3)(C)CCCOCC4OC4)C)CC5OC5
inchi:
InChI=1/C28H56O12Si4/c1-41(13-5-9-29-17-25-21-33-25)37-42(2,14-6-10-30-18-26-22-34-26)39-44(4,16-8-12-32-20-28-24-36-28)40-43(3,38-41)15-7-11-31-19-27-23-35-27/h25-28H,5-24H2,1-4H3


name: GLDA
cas: 60669-08-1
chemspiderid: 91171
formula: C9H13NO8
inchikey: VCVKIIDXVWEWSZ-UHFFFAOYSA-N
norman_susdat_id: NS00095774
pubchem_cid: 100909
smiles: C(CC(=O)O)C(C(=O)O)N(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)


name: Triphenylundecylphosphonium bromide
cas: 60669-22-9
dtxsid: DTXSID50976100
formula: C29H38P
inchikey: AELWOFMTABHNQJ-UHFFFAOYSA-M
norman_susdat_id: NS00054698
pubchem_cid: 3085198
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCCC
inchi:
InChI=1/C29H38P.BrH/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29;/h10-18,20-25H,2-9,19,26H2,1H3;1H/q+1;/p-1


name: Estr-4-en-3-one, 17-(sulfooxy)-, sodium salt, (17ß)-
cas: 60672-82-4
formula: C18H26O5S
inchikey: JHAJPDCWGNULRU-OGVPJBRJSA-N
norman_susdat_id: NS00054781
pubchem_cid: 3085200
smiles: [Na+].O=C1C=C2CCC3C(CCC4(C)C(OS(=O)(=O)O)CCC34)C2CC1
inchi:
InChI=1/C18H26O5S.Na/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;/h10,13-17H,2-9H2,1H3,(H,20,21,22);/q;+1


name: N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-3-phenyl-DL-alanine
cas: 60676-54-2
formula: C19H16N2O5
inchikey: BAIZNEMAFFNNOX-HNNXBMFYSA-N
norman_susdat_id: NS00054716
pubchem_cid: 21117175
smiles: O=C(O)C(NC(=O)CN1C(=O)C=2C=CC=CC2C1=O)CC=3C=CC=CC3
inchi:
InChI=1/C19H16N2O5/c22-16(20-15(19(25)26)10-12-6-2-1-3-7-12)11-21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15H,10-11H2,(H,20,22)(H,25,26)


name: 2,3-dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid
cas: 60676-80-4
formula: C16H12N3O5
inchikey: JPEUYYKTUFRADV-UHFFFAOYSA-N
norman_susdat_id: NS00055649
pubchem_cid: 21741
smiles: O=C(O)C1N=C(C=2C=CC=CC2)C=3C=C(C=CC3NC1=O)[N+](=O)[O-]
inchi:
InChI=1/C16H11N3O5/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15/h1-8,14H,(H,17,20)(H,21,22)


name: Sodium 2-(4-isobutylphenyl)butyrate
cas: 60682-24-8
formula: C14H20O2.Na
inchikey: SJBWJHOBCVAGGD-UHFFFAOYSA-M
norman_susdat_id: NS00087232
smiles: [Na+].CCC(C(=O)[O-])c1ccc(CC(C)C)cc1
inchi:
InChI=1/C14H20O2.Na/c1-4-13(14(15)16)12-7-5-11(6-8-12)9-10(2)3;/h5-8,10,13H,4,9H2,1-3H3,(H,15,16);/q;+1/p-1


name: 2-Propenoic acid, 3,3'-(1,2-ethenediyldi-4,1-phenylene)bis-, diethyl ester
cas: 60683-03-6
chemspiderid: 97549
dtxsid: DTXSID4069420
formula: C24H24O4
inchikey: KOWIGDVPOVFBLV-UHFFFAOYSA-N
norman_susdat_id: NS00034428
pubchem_cid: 108492
smiles: CCOC(=O)/C=C/c1ccc(/C=C/c2ccc(/C=C/C(=O)OCC)cc2)cc1
inchi:
InChI=1S/C24H24O4/c1-3-27-23(25)17-15-21-11-7-19(8-12-21)5-6-20-9-13-22(14-10-20)16-18-24(26)28-4-2/h5-18H,3-4H2,1-2H3/b6-5+,17-15+,18-16+


name: Bis(2-hydroxyethyl)methyltetradecylammonium chloride
cas: 60687-90-3
dtxsid: DTXSID3052272
formula: C19H42NO2
inchikey: AVOOFNQIYITEED-UHFFFAOYSA-M
norman_susdat_id: NS00054717
pubchem_cid: 21149487
smiles: [Cl-].OCC[N+](C)(CCO)CCCCCCCCCCCCCC
inchi:
InChI=1/C19H42NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2,16-18-21)17-19-22;/h21-22H,3-19H2,1-2H3;1H/q+1;/p-1


name: CBMicro_014501
cas: 6069-97-2
dtxsid: DTXSID20417439
formula: C25H25F4N5O
inchikey: KHPGRQNVBQCFCJ-UHFFFAOYSA-N
norman_susdat_id: NS00096050
smiles: CC1=CC=C(C=C1)C1CC(N2NC=C(C(=O)N3CCN(CC3)C3=CC=C(F)C=C3)C2=N1)C(F)(F)F
inchi:
InChI=1S/C25H25F4N5O/c1-16-2-4-17(5-3-16)21-14-22(25(27,28)29)34-23(31-21)20(15-30-34)24(35)33-12-10-32(11-13-33)19-8-6-18(26)7-9-19/h2-9,15,21-22,30H,10-14H2,1H3


name: N-Methylol-N'-stearylurea
cas: 60696-24-4
chemspiderid: 98017
dtxsid: DTXSID9069421
formula: C20H42N2O2
inchikey: AZJVWYOHZJOLDE-UHFFFAOYSA-N
norman_susdat_id: NS00020321
pubchem_cid: 108998
smiles: CCCCCCCCCCCCCCCCCCNC(=O)NCO
inchi:
InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(24)22-19-23/h23H,2-19H2,1H3,(H2,21,22,24)


name: 2-(Perfluorotetradecyl)ethan-1-ol
cas: 60699-51-6
chemspiderid: 98018
dtxsid: DTXSID4069422
formula: C16H5F29O1
inchikey: ZDUOTHMDVYXZBS-UHFFFAOYSA-N
norman_susdat_id: NS00010928
pubchem_cid: 108999
inchi:
InChI=1S/C16H5F29O/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h46H,1-2H2

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)CO


name: Uroporphyrin I
cas: 607-14-7
chebiid: CHEBI:27484
dtxsid: DTXSID90896979
formula: C40H38N4O16
inchikey: DAFUFNRZWDWXJP-JRHDEHKPSA-N
norman_susdat_id: NS00075553
inchi:
InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15-

smiles:
OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=CC4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4N=C(C=C1/N2)C(CC(O)=O)=C4CCC(O)=O)/C(CC(O)=O)=C3CCC(O)=O


name: Sesamin
cas: 607-80-7
chebiid: CHEBI:66470
dtxsid: DTXSID80231219
formula: C20H18O6
inchikey: PEYUIKBAABKQKQ-AFHBHXEDSA-N
norman_susdat_id: NS00096653
smiles: C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6
inchi:
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1


name: (1a,2ß,5a)-5-methyl-2-(1-methylethyl)cyclohexyl oleate
cas: 6070-18-4
formula: C28H52O2
inchikey: KSXDYSUCRAXJBC-IYCLMPOZSA-N
norman_susdat_id: NS00044968
pubchem_cid: 20838909
smiles: O=C(OC1CC(C)CCC1C(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27-23-25(4)21-22-26(27)24(2)3/h12-13,24-27H,5-11,14-23H2,1-4H3


name: 1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-N-(2-nitrophenyl)piperidin-4-amine
cas: 60703-66-4
dtxsid: DTXSID50209526
formula: C23H29FN3O4
inchikey: SWWABTYZAPRWPJ-UHFFFAOYSA-N
norman_susdat_id: NS00055650
pubchem_cid: 100831
smiles: O=[N+]([O-])C=1C=CC=CC1NC2CCN(CCCC3(OCCO3)C4=CC=C(F)C=C4)CC2
inchi:
InChI=1/C23H28FN3O4/c24-19-8-6-18(7-9-19)23(30-16-17-31-23)12-3-13-26-14-10-20(11-15-26)25-21-4-1-2-5-22(21)27(28)29/h1-2,4-9,20,25H,3,10-17H2


cas: 60705-62-6
chemspiderid: 297205
dtxsid: DTXSID70209528
formula: C44H56O4
inchikey: NVKLTRSBZLYZHK-UHFFFAOYSA-N
norman_susdat_id: NS00034433
pubchem_cid: 335377
name:
5,11,17,23-Tetratert-butylpentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol

inchi:
InChI=1S/C44H56O4/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29(38(27)46)15-31-23-36(44(10,11)12)24-32(40(31)48)16-30-22-35(43(7,8)9)20-28(39(30)47)14-26(18-33)37(25)45/h17-24,45-48H,13-16H2,1-12H3

smiles:
CC(C)(C)C1=CC2=C(O)C(CC3=CC(=CC(CC4=CC(=CC(CC5=C(O)C(C2)=CC(=C5)C(C)(C)C)=C4O)C(C)(C)C)=C3O)C(C)(C)C)=C1


name: a,a-diphenylpyrrolidine-1-propanol
cas: 6072-22-6
dtxsid: DTXSID80209539
formula: C19H23NO
inchikey: KSWXNEXJRXELBA-UHFFFAOYSA-N
norman_susdat_id: NS00044969
pubchem_cid: 80173
smiles: OC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCCC3
inchi:
InChI=1/C19H23NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h1-6,9-12,21H,7-8,13-16H2


name: 2-[[(2-hydroxyethyl)methylamino]methyl]benzhydryl alcohol
cas: 60725-36-2
dtxsid: DTXSID40976174
formula: C17H21NO2
inchikey: NHTAQNXZFMZXBU-UHFFFAOYSA-N
norman_susdat_id: NS00054328
pubchem_cid: 12659590
smiles: OCCN(C)CC=1C=CC=CC1C(O)C=2C=CC=CC2
inchi:
InChI=1/C17H21NO2/c1-18(11-12-19)13-15-9-5-6-10-16(15)17(20)14-7-3-2-4-8-14/h2-10,17,19-20H,11-13H2,1H3


cas: 60728-43-0
chemspiderid: 23351606
formula: C29H23Cl3N6O8
inchikey: XRIQTERXQQYNJE-UHFFFAOYSA-N
norman_susdat_id: NS00001352
pubchem_cid: 15538969;381122354
smiles: CC(=O)C(N=Nc1cc(ccc1Cl)C(O)=O)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(ccc2Cl)C(O)=O)C(C)=O)cc1C
name:
3,3'-((2-chloro-5-methylbenzene-1,4-diyl)bis(imino(1,3-dioxobutane-1,2-diyl)diazene-2,1-diyl))bis(4-chlorobenzoic acid)

inchi:
InChI=1S/C29H23Cl3N6O8/c1-12-8-21(34-27(42)25(14(3)40)38-36-23-10-16(29(45)46)5-7-18(23)31)19(32)11-20(12)33-26(41)24(13(2)39)37-35-22-9-15(28(43)44)4-6-17(22)30/h4-11,24-25H,1-3H3,(H,33,41)(H,34,42)(H,43,44)(H,45,46)


name: Carbamic acid, (3-isocyanatomethylphenyl)-, oxydi-2,1-ethanediyl ester
cas: 60732-52-7
chemspiderid: 98024
dtxsid: DTXSID9069427
formula: C22H22N4O7
inchikey: GXMMZTHFSJKQLE-UHFFFAOYSA-N
norman_susdat_id: NS00034438
pubchem_cid: 109006
smiles: O=C=NCc1cc(NC(=O)OCCOCCOC(=O)Nc2cc(CN=C=O)ccc2)ccc1
inchi:
InChI=1S/C22H22N4O7/c27-15-23-13-17-3-1-5-19(11-17)25-21(29)32-9-7-31-8-10-33-22(30)26-20-6-2-4-18(12-20)14-24-16-28/h1-6,11-12H,7-10,13-14H2,(H,25,29)(H,26,30)


name: Gonyautoxin 1
cas: 60748-39-2
chemspiderid: 35013616
dtxsid: DTXSID30880094
formula: C10H17N7O9S1
inchikey: CETRDCWBMBILAL-UHFFFAOYSA-N
norman_susdat_id: NS00008693
pubchem_cid: 24883591
smiles: NC(=O)OCC1C2NC(N)=NC22N(CC(OS(O)(=O)=O)C2(O)O)C(=N)N1O
inchi:
InChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)


name: Toxin II (anemonia sulcata)
cas: 60748-45-0
dtxsid: DTXSID30897228
formula: C213H329N63O61S6
inchikey: CDLBKYQRFZOSNC-YZYMASRJSA-N
norman_susdat_id: NS00075429
inchi:
InChI=1S/C213H329N63O61S6/c1-20-106(14)169(204(328)233-85-160(289)240-132(68-113-78-227-121-44-27-24-41-118(113)121)187(311)262-147(96-341)199(323)264-145(94-339)196(320)245-125(47-30-33-57-215)181(305)247-127(212(336)337)54-55-154(218)283)269-209(333)173(111(19)282)272-203(327)151-51-37-61-274(151)164(293)87-234-176(300)134(70-115-80-223-99-236-115)250-182(306)126(48-31-34-58-216)243-180(304)124(46-29-32-56-214)244-195(319)144(93-338)263-190(314)137(73-156(220)285)252-189(313)135(71-116-81-224-100-237-116)251-186(310)131(67-112-77-226-120-43-26-23-40-117(112)120)239-158(287)84-231-179(303)141(90-278)259-201(325)152-52-38-62-275(152)210(334)149(98-343)242-161(290)82-229-174(298)109(17)238-183(307)128(64-101(4)5)248-188(312)133(69-114-79-228-122-45-28-25-42-119(114)122)256-206(330)171(108(16)22-3)270-207(331)170(107(15)21-2)267-162(291)86-232-178(302)140(89-277)257-184(308)130(66-103(8)9)255-208(332)172(110(18)281)271-192(316)136(72-155(219)284)241-159(288)83-230-175(299)123(49-35-59-225-213(221)222)246-205(329)167(104(10)11)268-194(318)143(92-280)260-200(324)150-50-36-60-273(150)163(292)88-235-177(301)138(74-165(294)295)253-193(317)142(91-279)258-191(315)139(75-166(296)297)254-197(321)146(95-340)261-185(309)129(65-102(6)7)249-198(322)148(97-342)265-202(326)153-53-39-63-276(153)211(335)168(105(12)13)266-157(286)76-217/h23-28,40-45,77-81,99-111,123-153,167-173,226-228,277-282,338-343H,20-22,29-39,46-76,82-98,214-217H2,1-19H3,(H2,218,283)(H2,219,284)(H2,220,285)(H,223,236)(H,224,237)(H,229,298)(H,230,299)(H,231,303)(H,232,302)(H,233,328)(H,234,300)(H,235,301)(H,238,307)(H,239,287)(H,240,289)(H,241,288)(H,242,290)(H,243,304)(H,244,319)(H,245,320)(H,246,329)(H,247,305)(H,248,312)(H,249,322)(H,250,306)(H,251,310)(H,252,313)(H,253,317)(H,254,321)(H,255,332)(H,256,330)(H,257,308)(H,258,315)(H,259,325)(H,260,324)(H,261,309)(H,262,311)(H,263,314)(H,264,323)(H,265,326)(H,266,286)(H,267,291)(H,268,318)(H,269,333)(H,270,331)(H,271,316)(H,272,327)(H,294,295)(H,296,297)(H,336,337)(H4,221,222,225)/t106-,107-,108-,109-,110+,111+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,167-,168-,169-,170-,171-,172-,173-/m0/s1

smiles:
[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C([H])(N([H])C(=O)C([H])([H])N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])S[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])S[H])C([H])([H])C(=O)O[H])C([H])([H])O[H])C(=O)N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])([H])C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])C([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])(C(=O)O[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])S[H])C([H])([H])S[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])S[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])([H])O[H])C([H])([H])S[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(O[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H]


name: 5-(4-phenyl-1-piperazinyl)pentan-2-one hydrochloride
cas: 60753-22-2
dtxsid: DTXSID80209574
formula: C15H22N2O
inchikey: WFMKLVNEJXKTFV-UHFFFAOYSA-N
norman_susdat_id: NS00054745
pubchem_cid: 3017196
smiles: Cl.O=C(C)CCCN1CCN(C=2C=CC=CC2)CC1
inchi:
InChI=1/C15H22N2O.ClH/c1-14(18)6-5-9-16-10-12-17(13-11-16)15-7-3-2-4-8-15;/h2-4,7-8H,5-6,9-13H2,1H3;1H


name: 2,3-bis(octadecyloxy)propan-1-ol
cas: 6076-38-6
dtxsid: DTXSID40884220
formula: C39H80O3
inchikey: QEHCYTDFERPPPU-UHFFFAOYSA-N
norman_susdat_id: NS00045524
pubchem_cid: 110762
smiles: OCC(OCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-38-39(37-40)42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3


name: Octadecane, 1,1',1''-[1,2,3-propanetriyltris(oxy)]tris-
cas: 6076-42-2
chemspiderid: 72422
dtxsid: DTXSID2064105
formula: C57H116O3
inchikey: YEOQJOVGXZYQOZ-UHFFFAOYSA-N
norman_susdat_id: NS00034446
pubchem_cid: 80176
smiles: CCCCCCCCCCCCCCCCCCOCC(COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C57H116O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-58-55-57(60-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-59-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h57H,4-56H2,1-3H3


name: 1,1-Diethoxy-2-amyl-3-phenyl-2-propene
cas: 60763-41-9
chemspiderid: 4730977
dtxsid: DTXSID9069429
formula: C18H28O2
inchikey: MPKOLWUWOADQCX-BMRADRMJSA-N
norman_susdat_id: NS00011960
pubchem_cid: 5875676
smiles: CCCCCC(=C/c1ccccc1)C(OCC)OCC
inchi:
InChI=1S/C18H28O2/c1-4-7-9-14-17(18(19-5-2)20-6-3)15-16-12-10-8-11-13-16/h8,10-13,15,18H,4-7,9,14H2,1-3H3/b17-15+


name: 9-[2-hydroxy-3-[(2-hydroxyethyl)thio]propoxy]-7,11-dioxa-3,15-dithiaheptadecane-1,5,13,17-tetrol
cas: 60763-76-0
dtxsid: DTXSID40976235
formula: C18H38O9S3
inchikey: IARJOBRQDRUJBE-UHFFFAOYSA-N
norman_susdat_id: NS00055693
pubchem_cid: 108508
smiles: OCCSCC(O)COCC(OCC(O)CSCCO)COCC(O)CSCCO
inchi:
InChI=1/C18H38O9S3/c19-1-4-28-12-15(22)7-25-10-18(27-9-17(24)14-30-6-3-21)11-26-8-16(23)13-29-5-2-20/h15-24H,1-14H2


cas: 607723-33-1
dtxsid: DTXSID50976246
formula: C24H24N4O5S
inchikey: CHHXEZSCHQVSRE-HXUWFJFHSA-N
norman_susdat_id: NS00072031
smiles: COc1ccc(Oc2cc(N(C)CCOc3ccc(C[C@H]4SC(=O)NC4=O)cc3)ncn2)cc1
name:
4-Hydroxy-5-{[4-(2-{[6-(4-methoxyphenoxy)pyrimidin-4-yl](methyl)amino}ethoxy)phenyl]methyl}-1,3-thiazol-2(5H)-one

inchi:
InChI=1S/C24H24N4O5S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)/t20-/m1/s1


name: 2,2'-dithiobis[4-pentylphenol]
cas: 60774-06-3
dtxsid: DTXSID70976248
formula: C22H30O2S2
inchikey: QFIVQAAPVGDRHJ-UHFFFAOYSA-N
norman_susdat_id: NS00054832
pubchem_cid: 109013
smiles: OC1=CC=C(C=C1SSC2=CC(=CC=C2O)CCCCC)CCCCC
inchi:
InChI=1/C22H30O2S2/c1-3-5-7-9-17-11-13-19(23)21(15-17)25-26-22-16-18(10-8-6-4-2)12-14-20(22)24/h11-16,23-24H,3-10H2,1-2H3


name: 3-(Benzenesulfonyl)-8-(piperazin-1-yl)quinoline
cas: 607742-55-2
dtxsid: DTXSID30976249
formula: C19H19N3O2S
inchikey: JJZFWROHYSMCMU-UHFFFAOYSA-N
norman_susdat_id: NS00072548
pubchem_cid: 11256720
smiles: O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
inchi:
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2


name: Lithium N-acetyl-L-tryptophanate
cas: 60780-06-5
formula: C13H14N2O3.Li
inchikey: RIZPTOKEAKNELZ-YDALLXLXSA-M
norman_susdat_id: NS00088008
smiles: [Li+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
inchi:
InChI=1/C13H14N2O3.Li/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1


cas: 607837-17-2
formula: C23H33N2O6PS
inchikey: WFFOOKSVFDUPDH-FCHUYYIVSA-N
norman_susdat_id: NS00071448
pubchem_cid: 11705956
smiles: CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1
name:
2-[3-(aminomethyl)phenyl]-3-{hydroxy[2-methyl-1-(3-phenylpropanesulfonamido)propyl]phosphoryl}propanoic acid

inchi:
InChI=1S/C23H33N2O6PS/c1-17(2)22(25-33(30,31)13-7-11-18-8-4-3-5-9-18)32(28,29)16-21(23(26)27)20-12-6-10-19(14-20)15-24/h3-6,8-10,12,14,17,21-22,25H,7,11,13,15-16,24H2,1-2H3,(H,26,27)(H,28,29)/t21-,22+/m0/s1


name: 4-Benzyloxy-2-hydroxybenzophenone
cas: 6079-76-1
chemspiderid: 72424
dtxsid: DTXSID50209622
formula: C20H16O3
inchikey: SXJSETSRWNDWPP-UHFFFAOYSA-N
norman_susdat_id: NS00034459
pubchem_cid: 80178
smiles: Oc1c(ccc(OCc2ccccc2)c1)C(=O)c1ccccc1
inchi:
InChI=1S/C20H16O3/c21-19-13-17(23-14-15-7-3-1-4-8-15)11-12-18(19)20(22)16-9-5-2-6-10-16/h1-13,21H,14H2


name: 3-[bis(2-cyanoethyl)amino]-7-(diethylamino)phenoxazin-5-ium tetrachlorozincate (2:1)
cas: 60797-58-2
dtxsid: DTXSID60976272
formula: C22H24N5O
inchikey: IXHSJGCOBQRRBE-UHFFFAOYSA-J
norman_susdat_id: NS00054833
pubchem_cid: 6454032
inchi:
InChI=1/2C22H24N5O.4ClH.Zn/c2*1-3-26(4-2)17-7-9-19-21(15-17)28-22-16-18(8-10-20(22)25-19)27(13-5-11-23)14-6-12-24;;;;;/h2*7-10,15-16H,3-6,13-14H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H24N5O.Cl4Zn/c2*1-3-26(4-2)17-7-9-19-21(15-17)28-22-16-18(8-10-20(22)25-19)27(13-5-11-23)14-6-12-24;1-5(2,3)4/h2*7-10,15-16H,3-6,13-14H2,1-2H3;/q2*+1;-2

smiles:
N#CCCN(C=1C=CC2=NC3=CC=C(C=C3[O+]=C2C1)N(CC)CC)CCC#N.N#CCCN(C=1C=CC2=NC3=CC=C(C=C3[O+]=C2C1)N(CC)CC)CCC#N.Cl[Zn-2](Cl)(Cl)Cl


cas: 60799-27-1
dtxsid: DTXSID20896548
formula: C15BrF23O2
inchikey: MVLBMYHONBYWAB-UHFFFAOYSA-N
norman_susdat_id: NS00109777
smiles: Fc1c(F)c(c(F)c(F)c1Br)C(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
1-Bromo-2,3,5,6-tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propyl}benzene

inchi:
InChI=1/C15BrF23O2/c16-2-5(19)3(17)1(4(18)6(2)20)7(21,22)9(25,12(30,31)32)40-15(38,39)10(26,13(33,34)35)41-14(36,37)8(23,24)11(27,28)29


name: Disodium 3-hydroxy-4-[(2,4,5-trimethylphenyl)azo]naphthalene-2,7-disulphonate
cas: 608-01-6
formula: C19H18N2O7S2.2Na
inchikey: SWPPXVFKWWEYSV-UHFFFAOYSA-L
norman_susdat_id: NS00083141
smiles: [Na+].[Na+].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2cc(C)c(C)cc2C)c3O)S([O-])(=O)=O
inchi:
InChI=1/C19H18N2O7S2.2Na/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;;/h4-9,22H,1-3H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: 2-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethyl butylcarbamate
cas: 60809-93-0
formula: C22H27N6O4S
inchikey: GJXXPCFAWINJIL-UHFFFAOYSA-N
norman_susdat_id: NS00054748
pubchem_cid: 109018
smiles: O=C(OCCN(C1=CC=C(N=NC=2SN=C3C=CC(=CC23)[N+](=O)[O-])C=C1)CC)NCCCC
inchi:
InChI=1/C22H26N6O4S/c1-3-5-12-23-22(29)32-14-13-27(4-2)17-8-6-16(7-9-17)24-25-21-19-15-18(28(30)31)10-11-20(19)26-33-21/h6-11,15H,3-5,12-14H2,1-2H3,(H,23,29)


cas: 60810-05-1
formula: C21H25N6O4S
inchikey: YGNMNEXULHORSX-UHFFFAOYSA-N
norman_susdat_id: NS00054378
pubchem_cid: 109019
smiles: O=C(N(C)CCO)CCN(C1=CC=C(N=NC=2SN=C3C=CC(=CC23)[N+](=O)[O-])C=C1)CC
name:
3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]-N-(2-hydroxyethyl)-N-methylpropionamide

inchi:
InChI=1/C21H24N6O4S/c1-3-26(11-10-20(29)25(2)12-13-28)16-6-4-15(5-7-16)22-23-21-18-14-17(27(30)31)8-9-19(18)24-32-21/h4-9,14,28H,3,10-13H2,1-2H3


name: 4,4',4''-methylidynetris[N,N-dipropylaniline]
cas: 60813-12-9
dtxsid: DTXSID3069431
formula: C37H55N3
inchikey: UXBWXMXAXJKBSA-UHFFFAOYSA-N
norman_susdat_id: NS00054749
pubchem_cid: 109020
smiles: C=1C=C(C=CC1N(CCC)CCC)C(C2=CC=C(C=C2)N(CCC)CCC)C3=CC=C(C=C3)N(CCC)CCC
inchi:
InChI=1/C37H55N3/c1-7-25-38(26-8-2)34-19-13-31(14-20-34)37(32-15-21-35(22-16-32)39(27-9-3)28-10-4)33-17-23-36(24-18-33)40(29-11-5)30-12-6/h13-24,37H,7-12,25-30H2,1-6H3


name: Lisdexamfetamine
cas: 608137-32-2
chebiid: CHEBI:135925
chemspiderid: 9772458
dtxsid: DTXSID00209652
formula: C15H25N3O1
inchikey: VOBHXZCDAVEXEY-JSGCOSHPSA-N
norman_susdat_id: NS00017968
pubchem_cid: 11597698
smiles: CC(CC1=CC=CC=C1)NC(=O)C(CCCCN)N
inchi:
InChI=1S/C15H25N3O/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19)/t12-,14-/m0/s1


name: Lisdexamfetamine dimesylate
cas: 608137-33-3
dtxsid: DTXSID60209653
formula: C17H33N3O7S2
inchikey: CETWSOHVEGTIBR-FORAGAHYSA-N
norman_susdat_id: NS00076353
smiles: CS(O)(=O)=O.CS(O)(=O)=O.C[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CCCCN
inchi:
InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1


name: Apremilast
cas: 608141-41-9
chemspiderid: 9736448
formula: C22H24N2O7S1
inchikey: IMOZEMNVLZVGJZ-UHFFFAOYSA-N
norman_susdat_id: NS00040656
pubchem_cid: 11561674
smiles: CCOc1cc(ccc1OC)C(CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O
inchi:
InChI=1S/C22H24N2O7S/c1-5-31-19-11-14(9-10-18(19)30-3)17(12-32(4,28)29)24-21(26)15-7-6-8-16(23-13(2)25)20(15)22(24)27/h6-11,17H,5,12H2,1-4H3,(H,23,25)


name: Tetrakis(bis(2-hydroxyethyl)ammonium) ethylenediaminetetraacetate
cas: 60816-64-0
formula: C10H16N2O8.4C4H11NO2
inchikey: UFQUZYQXHBQGEB-UHFFFAOYSA-N
norman_susdat_id: NS00088009
inchi:
InChI=1/C10H16N2O8.4C4H11NO2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;4*6-3-1-5-2-4-7/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);4*5-7H,1-4H2

smiles:
OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]


name: Lithium gluconate
cas: 60816-70-8
dtxsid: DTXSID40209656
formula: C6H11LiO7
inchikey: ZOTSUVWAEYHZRI-JJKGCWMISA-M
norman_susdat_id: NS00076293
smiles: [Li+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O
inchi:
InChI=1S/C6H12O7.Li/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1


name: Phytolaccoside B (Esculentoside B)
cas: 60820-94-2
chebiid: CHEBI:8194
chemspiderid: 441939
formula: C36H56O11
inchikey: SFZVDNKTWPZIJG-ACNZYQHGSA-N
norman_susdat_id: NS00093709
pubchem_cid: 390513
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC


name: (S)-4-[[5-guanidino-2-(benzoylamino)-1-oxopentyl]amino]benzoic acid
cas: 60833-82-1
dtxsid: DTXSID70209669
formula: C20H23N5O4
inchikey: TUZAVLAUJHUFLA-INIZCTEOSA-N
norman_susdat_id: NS00055412
pubchem_cid: NA
smiles: O=C(O)C1=CC=C(C=C1)NC(=O)C(NC(=O)C=2C=CC=CC2)CCCNC(=N)N
inchi:
InChI=1/C20H23N5O4/c21-20(22)23-12-4-7-16(25-17(26)13-5-2-1-3-6-13)18(27)24-15-10-8-14(9-11-15)19(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,24,27)(H,25,26)(H,28,29)(H4,21,22,23)


name: 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride
cas: 60834-30-2
formula: C14H18N4O3.ClH
inchikey: YLCCEQZHUHUYPA-UHFFFAOYSA-N
norman_susdat_id: NS00087860
smiles: Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
inchi:
InChI=1/C14H18N4O3.ClH/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H


name: 2,4,5-Tricyclopentylphenol
cas: 60834-64-2
chemspiderid: 2284980
dtxsid: DTXSID00209672
formula: C21H30O1
inchikey: FMBDEJSPLWJSTM-UHFFFAOYSA-N
norman_susdat_id: NS00034467
pubchem_cid: 3017200
smiles: Oc1c(cc(C2CCCC2)c(c1)C1CCCC1)C1CCCC1
inchi:
InChI=1S/C21H30O/c22-21-14-19(16-9-3-4-10-16)18(15-7-1-2-8-15)13-20(21)17-11-5-6-12-17/h13-17,22H,1-12H2


name: 1,3-Dicyclopentyl-5,6,7,8-tetrahydro-2-naphthol
cas: 60834-67-5
chemspiderid: 2284982
dtxsid: DTXSID20209674
formula: C20H28O1
inchikey: ZRLFRSNTOXEEAB-UHFFFAOYSA-N
norman_susdat_id: NS00034469
pubchem_cid: 3017202
smiles: Oc1c(C2CCCC2)c2c(CCCC2)cc1C1CCCC1
inchi:
InChI=1S/C20H28O/c21-20-18(14-7-1-2-8-14)13-16-11-5-6-12-17(16)19(20)15-9-3-4-10-15/h13-15,21H,1-12H2


name: 2,4-Dicyclopentyl-5,6,7,8-tetrahydro-1-naphthol
cas: 60834-79-9
chemspiderid: 2284983
dtxsid: DTXSID20209679
formula: C20H28O1
inchikey: MQMVHENDDKNOFQ-UHFFFAOYSA-N
norman_susdat_id: NS00034474
pubchem_cid: 3017204
smiles: Oc1c(cc(C2CCCC2)c2c1CCCC2)C1CCCC1
inchi:
InChI=1S/C20H28O/c21-20-17-12-6-5-11-16(17)18(14-7-1-2-8-14)13-19(20)15-9-3-4-10-15/h13-15,21H,1-12H2


name: 2,6-Dicyclopentyl-3,5-xylenol
cas: 60834-84-6
chemspiderid: 4956387
dtxsid: DTXSID10209683
formula: C18H26O1
inchikey: UUJICVPYWDJSSZ-UHFFFAOYSA-N
norman_susdat_id: NS00034478
pubchem_cid: 6454047
smiles: Cc1cc(C)c(C2CCCC2)c(O)c1C1CCCC1
inchi:
InChI=1S/C18H26O/c1-12-11-13(2)17(15-9-5-6-10-15)18(19)16(12)14-7-3-4-8-14/h11,14-15,19H,3-10H2,1-2H3


name: 2,4,6-Tricyclopentyl-m-cresol
cas: 60834-86-8
chemspiderid: 2284985
dtxsid: DTXSID30209685
formula: C22H32O1
inchikey: LUNVGTDAAFIKFA-UHFFFAOYSA-N
norman_susdat_id: NS00034480
pubchem_cid: 3017206
smiles: Cc1c(cc(C2CCCC2)c(O)c1C1CCCC1)C1CCCC1
inchi:
InChI=1S/C22H32O/c1-15-19(16-8-2-3-9-16)14-20(17-10-4-5-11-17)22(23)21(15)18-12-6-7-13-18/h14,16-18,23H,2-13H2,1H3


name: Sodium (Z)-2-[(1-oxo-9-octadecenyl)amino]ethanesulphonate
cas: 60840-87-1
dtxsid: DTXSID4042410
formula: C20H39NO4S
inchikey: SIFNSAPDAWMCFK-KVVVOXFISA-M
norman_susdat_id: NS00055413
pubchem_cid: 62173
smiles: [Na+].O=C(NCCS(=O)(=O)[O-])CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H39NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25;/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25);/q;+1/p-1


name: 6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)
cas: 60864-38-2
dtxsid: DTXSID80976330
formula: C25H29FO6
inchikey: BVIBAMAMNUFDPN-BIUBWZLJSA-N
norman_susdat_id: NS00054935
pubchem_cid: 20841877
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C)C3CCC4(OC(=O)C)C(=O)COC(=O)C)C
inchi:
InChI=1/C25H29FO6/c1-14(27)31-13-22(30)25(32-15(2)28)10-7-19-17-12-21(26)20-11-16(29)5-8-23(20,3)18(17)6-9-24(19,25)4/h5-6,8,11,17,19,21H,7,9-10,12-13H2,1-4H3


name: 6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)
cas: 60864-39-3
dtxsid: DTXSID70209705
formula: C26H31FO6
inchikey: JNTXVYUQFYREAY-IAADMDSGSA-N
norman_susdat_id: NS00055303
pubchem_cid: 20841878
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C)C3CC(C)C4(OC(=O)C)C(=O)COC(=O)C)C
inchi:
InChI=1/C26H31FO6/c1-14-10-20-18-12-22(27)21-11-17(30)6-8-24(21,4)19(18)7-9-25(20,5)26(14,33-16(3)29)23(31)13-32-15(2)28/h6-8,11,14,18,20,22H,9-10,12-13H2,1-5H3


name: 9-bromo-6ß-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-40-6
dtxsid: DTXSID40976331
formula: C25H30BrFO7
inchikey: KYISBKWLCVBYCW-CYBFZDFUSA-N
norman_susdat_id: NS00055415
pubchem_cid: 20841879
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C32Br)C
inchi:
InChI=1/C25H30BrFO7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(27)18-9-15(30)5-7-22(18,3)25(17,26)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3


name: 9,11ß-dichloro-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-41-7
dtxsid: DTXSID00976332
formula: C25H29Cl2FO6
inchikey: MXUPCASLFHNIIF-CYBFZDFUSA-N
norman_susdat_id: NS00054956
pubchem_cid: 20841880
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(Cl)C32Cl)C
inchi:
InChI=1/C25H29Cl2FO6/c1-13(29)33-12-21(32)24(34-14(2)30)8-6-16-17-10-19(28)18-9-15(31)5-7-22(18,3)25(17,27)20(26)11-23(16,24)4/h5,7,9,16-17,19-20H,6,8,10-12H2,1-4H3


name: 9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-42-8
dtxsid: DTXSID30209706
formula: C26H31Cl2FO6
inchikey: BCHYZLWTKAJUGC-HGZSCFKZSA-N
norman_susdat_id: NS00055428
pubchem_cid: 20841881
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(Cl)C32Cl)C
inchi:
InChI=1/C26H31Cl2FO6/c1-13-8-17-18-10-20(29)19-9-16(32)6-7-23(19,4)25(18,28)21(27)11-24(17,5)26(13,35-15(3)31)22(33)12-34-14(2)30/h6-7,9,13,17-18,20-21H,8,10-12H2,1-5H3


name: 9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione
cas: 60864-43-9
dtxsid: DTXSID60976333
formula: C21H25FO5
inchikey: ODCJBFLIAVNDAG-OHNRKXQJSA-N
norman_susdat_id: NS00054957
pubchem_cid: 20841882
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(O)(C(=O)CO)C4(C)CC5OC532)C
inchi:
InChI=1/C21H25FO5/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(26,16(25)10-23)19(12,2)9-17-21(13,18)27-17/h3,5,7,12-13,15,17,23,26H,4,6,8-10H2,1-2H3


name: 6ß-fluoro-16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
cas: 60864-44-0
dtxsid: DTXSID20976334
formula: C23H27FO6
inchikey: YGJGUDWTWGIYMD-AKSOXMLASA-N
norman_susdat_id: NS00055319
pubchem_cid: 6454060
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C)C3CC(O)C4(O)C(=O)COC(=O)C)C
inchi:
InChI=1/C23H27FO6/c1-12(25)30-11-20(28)23(29)19(27)10-16-14-9-18(24)17-8-13(26)4-6-21(17,2)15(14)5-7-22(16,23)3/h4-6,8,14,16,18-19,27,29H,7,9-11H2,1-3H3


name: 9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-45-1
formula: C25H29FO7
inchikey: LNYMKQGFLVFMOI-VTBJRQEASA-N
norman_susdat_id: NS00088287
smiles: CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C)OC(=O)C
inchi:
InChI=1/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3


name: 6ß,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-47-3
dtxsid: DTXSID40976336
formula: C26H32F2O7
inchikey: BOBLHFUVNSFZPJ-HGZSCFKZSA-N
norman_susdat_id: NS00055429
pubchem_cid: 20841884
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3


name: 9ß,11a-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 60864-48-4
dtxsid: DTXSID00976337
formula: C23H27FO7
inchikey: ZXCUGBNTNOOANT-DKVAQGCISA-N
norman_susdat_id: NS00054958
pubchem_cid: 20841885
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(O)C(O)(C(=O)COC(=O)C)C4(C)CC5OC532)C
inchi:
InChI=1/C23H27FO7/c1-11(25)30-10-18(28)22(29)17(27)8-13-14-7-16(24)15-6-12(26)4-5-20(15,2)23(14)19(31-23)9-21(13,22)3/h4-6,13-14,16-17,19,27,29H,7-10H2,1-3H3


name: 6ß,9-difluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,21-di(acetate)
cas: 60864-49-5
formula: C25H30F2O8
inchikey: ONPLIUSGZHICBI-CJQFUTCOSA-N
norman_susdat_id: NS00055320
pubchem_cid: 20841886
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(OC(=O)C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C25H30F2O8/c1-12(28)34-11-20(32)25(33)21(35-13(2)29)9-15-16-8-18(26)17-7-14(30)5-6-22(17,3)24(16,27)19(31)10-23(15,25)4/h5-7,15-16,18-19,21,31,33H,8-11H2,1-4H3


name: 6ß-fluoro-21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate
cas: 60864-52-0
dtxsid: DTXSID50209708
formula: C23H25FO4
inchikey: UHEBHFQTEYMJQV-DUYGSNODSA-N
norman_susdat_id: NS00055321
pubchem_cid: 6454066
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C(=CCC34)C(=O)COC(=O)C)C)C
inchi:
InChI=1/C23H25FO4/c1-13(25)28-12-21(27)18-5-4-16-15-11-20(24)19-10-14(26)6-8-23(19,3)17(15)7-9-22(16,18)2/h5-8,10,15-16,20H,4,9,11-12H2,1-3H3


name: 9ß,11a-epoxy-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 60864-53-1
dtxsid: DTXSID60976338
formula: C26H31FO7
inchikey: JGVCYVYSMAZREV-UMVDDQILSA-N
norman_susdat_id: NS00055476
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC5OC532)C
inchi:
InChI=1/C26H31FO7/c1-13-8-17-18-10-20(27)19-9-16(30)6-7-23(19,4)26(18)22(34-26)11-24(17,5)25(13,33-15(3)29)21(31)12-32-14(2)28/h6-7,9,13,17-18,20,22H,8,10-12H2,1-5H3


name: 9-bromo-6ß-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 60864-54-2
dtxsid: DTXSID20976339
formula: C22H28BrFO5
inchikey: WBGALRHCOHLGJC-QODHSQIYSA-N
norman_susdat_id: NS00056334
pubchem_cid: 20841887
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)CO)C4(C)CC(O)C32Br)C
inchi:
InChI=1/C22H28BrFO5/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3


name: 6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione
cas: 60864-55-3
formula: C21H26F2O5
inchikey: ABUISBDTYAZRHY-RNZUFMPVSA-N
norman_susdat_id: NS00087895
smiles: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
inchi:
InChI=1/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3


name: 2-bromo-6ß-fluoro-11a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 60864-62-2
dtxsid: DTXSID10209709
formula: C23H28BrFO6
inchikey: VLHFEVUZLWCVEM-RCYUAJJPSA-N
norman_susdat_id: NS00054995
pubchem_cid: 6454070
smiles: O=C1C=C2C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C3C2(C=C1Br)C
inchi:
InChI=1/C23H28BrFO6/c1-11(26)31-10-19(29)23(30)5-4-13-12-6-16(25)14-7-17(27)15(24)8-21(14,2)20(12)18(28)9-22(13,23)3/h7-8,12-13,16,18,20,28,30H,4-6,9-10H2,1-3H3


name: 2-bromo-6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
cas: 60864-66-6
dtxsid: DTXSID90976341
formula: C23H26BrFO5
inchikey: NXKRMOXYVGMCPV-ZPNJXGEYSA-N
norman_susdat_id: NS00054996
pubchem_cid: 6454071
smiles: O=C1C=C2C(F)CC3C(=CCC4(C)C3CCC4(O)C(=O)COC(=O)C)C2(C=C1Br)C
inchi:
InChI=1/C23H26BrFO5/c1-12(26)30-11-20(28)23(29)7-5-15-13-8-18(25)16-9-19(27)17(24)10-21(16,2)14(13)4-6-22(15,23)3/h4,9-10,13,15,18,29H,5-8,11H2,1-3H3


name: 2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 60864-69-9
dtxsid: DTXSID50976342
formula: C23H26BrFO6
inchikey: RRHFZMJQCAJVNE-BLZOHXOJSA-N
norman_susdat_id: NS00056335
pubchem_cid: 20841888
smiles: O=C1C=C2C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC5OC53C2(C=C1Br)C
inchi:
InChI=1/C23H26BrFO6/c1-11(26)30-10-18(28)22(29)5-4-12-13-6-16(25)14-7-17(27)15(24)8-21(14,3)23(13)19(31-23)9-20(12,22)2/h7-8,12-13,16,19,29H,4-6,9-10H2,1-3H3


name: 2-bromo-9ß,11ß-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione
cas: 60864-70-2
dtxsid: DTXSID10976343
formula: C21H24BrFO6
inchikey: FUBXEJMHWJJGLI-DOUMDCTRSA-N
norman_susdat_id: NS00054997
pubchem_cid: 20841889
smiles: O=C1C=C2C(F)CC3C4CC(O)C(O)(C(=O)CO)C4(C)CC5OC53C2(C=C1Br)C
inchi:
InChI=1/C21H24BrFO6/c1-18-7-17-21(29-17)10(9(18)5-15(26)20(18,28)16(27)8-24)3-13(23)11-4-14(25)12(22)6-19(11,21)2/h4,6,9-10,13,15,17,24,26,28H,3,5,7-8H2,1-2H3


name: 2-bromo-9ß,11ß-epoxy-6ß-fluoro-16a,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 60864-71-3
dtxsid: DTXSID70976344
formula: C23H26BrFO7
inchikey: VKTRIDLJTSEUMD-JOHDOJHBSA-N
norman_susdat_id: NS00055372
pubchem_cid: 20841890
smiles: O=C1C=C2C(F)CC3C4CC(O)C(O)(C(=O)COC(=O)C)C4(C)CC5OC53C2(C=C1Br)C
inchi:
InChI=1/C23H26BrFO7/c1-10(26)31-9-18(29)22(30)17(28)6-11-12-4-15(25)13-5-16(27)14(24)7-21(13,3)23(12)19(32-23)8-20(11,22)2/h5,7,11-12,15,17,19,28,30H,4,6,8-9H2,1-3H3


name: 2-bromo-6ß-fluoro-16a,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
cas: 60864-73-5
dtxsid: DTXSID20209710
formula: C23H26BrFO6
inchikey: XPLXQTZSCTVTKW-GTFPCPOTSA-N
norman_susdat_id: NS00055373
pubchem_cid: 6454075
smiles: O=C1C=C2C(F)CC3C(=CCC4(C)C3CC(O)C4(O)C(=O)COC(=O)C)C2(C=C1Br)C
inchi:
InChI=1/C23H26BrFO6/c1-11(26)31-10-20(29)23(30)19(28)8-14-12-6-17(25)15-7-18(27)16(24)9-21(15,2)13(12)4-5-22(14,23)3/h4,7,9,12,14,17,19,28,30H,5-6,8,10H2,1-3H3


name: 2-bromo-6ß-fluoro-11a,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 60864-74-6
dtxsid: DTXSID80209711
formula: C24H30BrFO6
inchikey: JGHVFJUALVMUCA-SMOOVBRJSA-N
norman_susdat_id: NS00054998
pubchem_cid: 6454076
smiles: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C3C2(C=C1Br)C
inchi:
InChI=1/C24H30BrFO6/c1-11-5-14-13-6-17(26)15-7-18(28)16(25)8-22(15,3)21(13)19(29)9-23(14,4)24(11,31)20(30)10-32-12(2)27/h7-8,11,13-14,17,19,21,29,31H,5-6,9-10H2,1-4H3


name: 2-bromo-6ß-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate
cas: 60864-76-8
dtxsid: DTXSID40209712
formula: C24H28BrFO5
inchikey: PSNYSZVUCFWIID-MGQHRJHGSA-N
norman_susdat_id: NS00056336
pubchem_cid: 6454077
smiles: O=C1C=C2C(F)CC3C(=CCC4(C)C3CC(C)C4(O)C(=O)COC(=O)C)C2(C=C1Br)C
inchi:
InChI=1/C24H28BrFO5/c1-12-7-16-14-8-19(26)17-9-20(28)18(25)10-22(17,3)15(14)5-6-23(16,4)24(12,30)21(29)11-31-13(2)27/h5,9-10,12,14,16,19,30H,6-8,11H2,1-4H3


name: 3-chloro-4-(diethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 60869-68-3
formula: C10H13ClN3.1/2Cl4Zn
inchikey: VQPXWDPMZAPTTQ-UHFFFAOYSA-J
norman_susdat_id: NS00087842
smiles: CCN(CC)c1ccc(cc1Cl)[N+]#N.CCN(CC)c2ccc(cc2Cl)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H13ClN3.4ClH.Zn/c2*1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;;;/h2*5-7H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H13ClN3.Cl4Zn/c2*1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;1-5(2,3)4/h2*5-7H,3-4H2,1-2H3;/q2*+1;-2


name: 4-(ethylamino)-3-methylbenzenediazonium tetrachlorozincate (2:1)
cas: 60869-70-7
formula: C9H12N3.1/2Cl4Zn
inchikey: CGRMKKKNVRSBJX-UHFFFAOYSA-J
norman_susdat_id: NS00087896
smiles: CCNc1ccc(cc1C)[N+]#N.CCNc2ccc(cc2C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C9H12N3.4ClH.Zn/c2*1-3-11-9-5-4-8(12-10)6-7(9)2;;;;;/h2*4-6,11H,3H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H12N3.Cl4Zn/c2*1-3-11-9-5-4-8(12-10)6-7(9)2;1-5(2,3)4/h2*4-6,11H,3H2,1-2H3;/q2*+1;-2


name: 4-(diethylamino)-2-ethoxybenzenediazonium trichlorozincate
cas: 6087-53-2
formula: C12H18N3O.Cl3Zn
inchikey: GSRZWTOKFDGXLC-UHFFFAOYSA-K
norman_susdat_id: NS00081546
smiles: CCOc1cc(ccc1[N+]#N)N(CC)CC.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C12H18N3O.3ClH.Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;;;;/h7-9H,4-6H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC12H18N3O.Cl3Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;1-4(2)3/h7-9H,4-6H2,1-3H3;/q+1;-1


name: 4-(dimethylamino)benzenediazonium trichlorozincate
cas: 6087-56-5
formula: C8H10N3.Cl3Zn
inchikey: SIMFPAVQCFHVGM-UHFFFAOYSA-K
norman_susdat_id: NS00081269
smiles: CN(C)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C8H10N3.3ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;;/h3-6H,1-2H3;3*1H;/q+1;;;;+2/p-3/rC8H10N3.Cl3Zn/c1-11(2)8-5-3-7(10-9)4-6-8;1-4(2)3/h3-6H,1-2H3;/q+1;-1


name: 4-(diethylamino)-2-methylbenzenediazonium trichlorozincate
cas: 6087-58-7
formula: C11H16N3.Cl3Zn
inchikey: GBJMUGMEFLXBSO-UHFFFAOYSA-K
norman_susdat_id: NS00080884
smiles: CCN(CC)c1ccc([N+]#N)c(C)c1.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C11H16N3.3ClH.Zn/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;/h6-8H,4-5H2,1-3H3;3*1H;/q+1;;;;+2/p-3/rC11H16N3.Cl3Zn/c1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;1-4(2)3/h6-8H,4-5H2,1-3H3;/q+1;-1


name: 4-nitro-N-[3-(triethoxysilyl)propyl]benzamide
cas: 60871-86-5
dtxsid: DTXSID3069435
formula: C16H27N2O6Si
inchikey: NMWDYCNYWCIATE-UHFFFAOYSA-N
norman_susdat_id: NS00056337
pubchem_cid: 109028
smiles: O=C(NCCC[Si](OCC)(OCC)OCC)C1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H26N2O6Si/c1-4-22-25(23-5-2,24-6-3)13-7-12-17-16(19)14-8-10-15(11-9-14)18(20)21/h8-11H,4-7,12-13H2,1-3H3,(H,17,19)


name: Sodium henicosafluoroundecanoate
cas: 60871-96-7
dtxsid: DTXSID90896636
formula: C11F21NaO2
inchikey: WNJKOYLAOWQODZ-UHFFFAOYSA-M
norman_susdat_id: NS00112192
smiles: [Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11HF21O2.Na/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32;/h(H,33,34);/q;+1/p-1


cas: 60875-24-3
dtxsid: DTXSID60976353
formula: C36H40N4O3
inchikey: OKUPYKFUFQBNGM-UHFFFAOYSA-N
norman_susdat_id: NS00056356
pubchem_cid: 56625480
smiles: O=C1OC2(C3=CC=C(C=C3OC4=NC(=NC(C=5C=CC=CC5)=C42)N(CCCC)CCCC)N(CC)CC)C=6C=CC=CC16
name:
2-(dibutylamino)-8-(diethylamino)-4-phenylspiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one

inchi:
InChI=1/C36H40N4O3/c1-5-9-22-40(23-10-6-2)35-37-32(25-16-12-11-13-17-25)31-33(38-35)42-30-24-26(39(7-3)8-4)20-21-29(30)36(31)28-19-15-14-18-27(28)34(41)43-36/h11-21,24H,5-10,22-23H2,1-4H3


name: (Z)-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-methyl-1H-imidazolium methyl sulphate
cas: 60875-26-5
formula: C23H45N2O
inchikey: TUSDSZOJVXFPSY-GMFCBQQYSA-M
norman_susdat_id: NS00055374
pubchem_cid: 44151862
smiles: O=S(=O)([O-])OC.OCC[N+]1(C(=NCC1)CCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C23H45N2O.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-24-19-20-25(23,2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 6-Hydroxy-2-naphthyl disulfide
cas: 6088-51-3
chemspiderid: 21068
dtxsid: DTXSID7025429
formula: C20H14O2S2
inchikey: AHXGXXJEEHFHDK-UHFFFAOYSA-N
norman_susdat_id: NS00034490
pubchem_cid: 22463
smiles: Oc1cc2ccc(SSc3cc4ccc(O)cc4cc3)cc2cc1
inchi:
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H


name: Anthopleurin-A
cas: 60880-63-9
dtxsid: DTXSID70209725
formula: C215H326N62O67S6
inchikey: DCHLNFQWPLNLQG-OWIWTKNASA-N
norman_susdat_id: NS00075497
inchi:
InChI=1S/C215H326N62O67S6/c1-19-106(14)171(207(337)232-81-161(294)239-130(63-111-44-48-117(287)49-45-111)188(318)264-150(96-349)202(332)267-147(93-346)198(328)243-123(37-24-26-52-216)177(307)235-85-168(303)304)271-212(342)174(110(18)286)273-206(336)153-41-30-56-275(153)165(298)83-233-178(308)133(67-115-76-223-98-236-115)246-175(305)107(15)238-183(313)125(38-25-27-53-217)244-199(329)146(92-345)265-192(322)136(70-157(220)290)251-191(321)134(68-116-77-224-99-237-116)250-189(319)131(65-113-74-226-121-35-22-20-33-119(113)121)240-159(292)79-229-181(311)141(87-279)260-205(335)155-43-32-58-277(155)214(344)151(97-350)242-162(295)80-230-182(312)142(88-280)259-204(334)154-42-31-57-276(154)213(343)139(64-112-46-50-118(288)51-47-112)256-185(315)126(59-100(2)3)247-190(320)132(66-114-75-227-122-36-23-21-34-120(114)122)249-184(314)128(61-102(6)7)254-210(340)172(108(16)284)269-163(296)82-231-180(310)140(86-278)257-186(316)129(62-103(8)9)255-211(341)173(109(17)285)272-194(324)135(69-156(219)289)241-160(293)78-228-176(306)124(39-28-54-225-215(221)222)245-209(339)170(105(12)13)270-197(327)145(91-283)261-203(333)152-40-29-55-274(152)164(297)84-234-179(309)137(71-166(299)300)252-195(325)143(89-281)258-193(323)138(72-167(301)302)253-201(331)148(94-347)263-187(317)127(60-101(4)5)248-200(330)149(95-348)266-196(326)144(90-282)262-208(338)169(104(10)11)268-158(291)73-218/h20-23,33-36,44-51,74-77,98-110,123-155,169-174,226-227,278-288,345-350H,19,24-32,37-43,52-73,78-97,216-218H2,1-18H3,(H2,219,289)(H2,220,290)(H,223,236)(H,224,237)(H,228,306)(H,229,311)(H,230,312)(H,231,310)(H,232,337)(H,233,308)(H,234,309)(H,235,307)(H,238,313)(H,239,294)(H,240,292)(H,241,293)(H,242,295)(H,243,328)(H,244,329)(H,245,339)(H,246,305)(H,247,320)(H,248,330)(H,249,314)(H,250,319)(H,251,321)(H,252,325)(H,253,331)(H,254,340)(H,255,341)(H,256,315)(H,257,316)(H,258,323)(H,259,334)(H,260,335)(H,261,333)(H,262,338)(H,263,317)(H,264,318)(H,265,322)(H,266,326)(H,267,332)(H,268,291)(H,269,296)(H,270,327)(H,271,342)(H,272,324)(H,273,336)(H,299,300)(H,301,302)(H,303,304)(H4,221,222,225)/t106-,107-,108+,109+,110+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,169-,170-,171-,172-,173-,174-/m0/s1

smiles:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NCC(O)=O


name: 2-(diethylamino)ethyl 3-(p-methoxyphenyl)-2-phenylpropionate
cas: 60883-72-9
formula: C22H29NO3
inchikey: CQPQMXYPCFOBJF-UHFFFAOYSA-N
norman_susdat_id: NS00087897
smiles: CCN(CC)CCOC(=O)C(Cc1ccc(OC)cc1)c2ccccc2
inchi:
InChI=1/C22H29NO3/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18/h6-14,21H,4-5,15-17H2,1-3H3


name: (3ß,17ß)-17-hydroxy-17-methylandrost-5-ene-3-ol propionate
cas: 60883-73-0
dtxsid: DTXSID90976361
formula: C23H36O3
inchikey: YAZVIHSCBXWIRW-ZGIWMXSJSA-N
norman_susdat_id: NS00055478
pubchem_cid: 3085209
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1)CC
inchi:
InChI=1/C23H36O3/c1-5-20(24)26-16-8-11-21(2)15(14-16)6-7-17-18(21)9-12-22(3)19(17)10-13-23(22,4)25/h6,16-19,25H,5,7-14H2,1-4H3


name: 2-bromo-6ß-fluoro-21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate
cas: 60892-57-1
dtxsid: DTXSID80209731
formula: C23H24BrFO4
inchikey: XKZWOGXOACFWQZ-CKCVXRQJSA-N
norman_susdat_id: NS00055479
pubchem_cid: 6454085
smiles: O=C1C=C2C(F)CC3C(=CCC4(C(=CCC34)C(=O)COC(=O)C)C)C2(C=C1Br)C
inchi:
InChI=1/C23H24BrFO4/c1-12(26)29-11-21(28)16-5-4-14-13-8-19(25)17-9-20(27)18(24)10-23(17,3)15(13)6-7-22(14,16)2/h5-6,9-10,13-14,19H,4,7-8,11H2,1-3H3


name: 6ß,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 60895-22-9
formula: C22H28F2O5
inchikey: WXURHACBFYSXBI-QODHSQIYSA-N
norman_susdat_id: NS00087843
smiles: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
inchi:
InChI=1/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3


name: Nonyltriphenylphosphonium bromide
cas: 60902-45-6
dtxsid: DTXSID70886414
formula: C27H34P
inchikey: NJXRQGKTLWXMID-UHFFFAOYSA-M
norman_susdat_id: NS00056357
pubchem_cid: 2724864
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCC
inchi:
InChI=1/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1


name: Physostigmine hydrobromide
cas: 6091-13-0
formula: C15H21N3O2.BrH
inchikey: HFIWKRLOGGSAQX-PBCQUBLHSA-N
norman_susdat_id: NS00081248
smiles: Br.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
inchi:
InChI=1/C15H21N3O2.BrH/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1H


name: Bis[p-[benzylethylamino]benzenediazonium] hexachlorostannate(2-)
cas: 60911-92-4
formula: C15H16N3.1/2Cl6Sn
inchikey: DITILNYZHMQBMM-UHFFFAOYSA-H
norman_susdat_id: NS00087632
smiles: CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N.CCN(Cc3ccccc3)c4ccc(cc4)[N+]#N.Cl[Sn-2](Cl)(Cl)(Cl)(Cl)Cl
inchi:
InChI=1/2C15H16N3.6ClH.Sn/c2*1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;;;;;;;/h2*3-11H,2,12H2,1H3;6*1H;/q2*+1;;;;;;;+4/p-6/r2C15H16N3.Cl6Sn/c2*1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;1-7(2,3,4,5)6/h2*3-11H,2,12H2,1H3;/q2*+1;-2


cas: 60918-85-6
dtxsid: DTXSID2095073
norman_susdat_id: NS00109836
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1-bromo-1,2,2-trifluoroethene, 1,1-difluoroethene and 1,1,2,2-tetrafluoroethene


name: Pleuromutilin-22-mesylate
cas: 60924-38-1
chemspiderid: 57578916
dtxsid: DTXSID40693410
formula: C23H36O7S1
inchikey: IKVZCNHNKCXZHZ-UHFFFAOYSA-N
norman_susdat_id: NS00007076
pubchem_cid: 76007371
smiles: CC1CCC23CCC(=O)C2C1(C)C(CC(C)(C=C)C(O)C3C)OC(=O)COS(C)(=O)=O
inchi:
InChI=1S/C23H36O7S/c1-7-21(4)12-17(30-18(25)13-29-31(6,27)28)22(5)14(2)8-10-23(15(3)20(21)26)11-9-16(24)19(22)23/h7,14-15,17,19-20,26H,1,8-13H2,2-6H3


name: Ceforanide
cas: 60925-61-3
chebiid: CHEBI:3495
chemspiderid: 39656
dtxsid: DTXSID1022760
formula: C20H21N7O6S2
inchikey: SLAYUXIURFNXPG-CRAIPNDOSA-N
norman_susdat_id: NS00011575
pubchem_cid: 43507
smiles: c1ccc(c(c1)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4CC(=O)O)C(=O)O)CN
inchi:
InChI=1S/C20H21N7O6S2/c21-6-11-4-2-1-3-10(11)5-13(28)22-15-17(31)27-16(19(32)33)12(8-34-18(15)27)9-35-20-23-24-25-26(20)7-14(29)30/h1-4,15,18H,5-9,21H2,(H,22,28)(H,29,30)(H,32,33)/t15-,18-/m1/s1


cas: 60946-69-2
dtxsid: DTXSID30886415
formula: C23H27N3O
inchikey: GRDAWTQQWOGWLJ-FYWRMAATSA-N
norman_susdat_id: NS00055375
pubchem_cid: 5939872
smiles: O=C1NC2(C=CC3=CC=C(C=C3)N(C)C)N(C=4C=CC=CC4C2(C)C)CC1
name:
10a-[2-[4-(dimethylamino)phenyl]vinyl]-3,4,10,10a-tetrahydro-10,10-dimethylpyrimido[1,2-a]indol-2(1H)-one

inchi:
InChI=1/C23H27N3O/c1-22(2)19-7-5-6-8-20(19)26-16-14-21(27)24-23(22,26)15-13-17-9-11-18(12-10-17)25(3)4/h5-13,15H,14,16H2,1-4H3,(H,24,27)


cas: 60958-41-0
formula: C20H22N4O11S3
inchikey: ZLLJOZOHXNAJLK-UHFFFAOYSA-N
norman_susdat_id: NS00087923
smiles: OS(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O
name:
p-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

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


cas: 60960-29-4
formula: C26H33N5O2.2C4H4O4
inchikey: GCMHJLCMDRJGMG-SPIKMXEPSA-N
norman_susdat_id: NS00087391
smiles: CC(C)NC(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c4ccccc4)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O
name:
N-isopropyl-4-[[1-(3-oxo-3-phenylpropyl)-1H-benzimidazol-2-yl]methyl]piperazine-1-acetamide dimaleate

inchi:
InChI=1/C26H33N5O2.2C4H4O4/c1-20(2)27-26(33)19-30-16-14-29(15-17-30)18-25-28-22-10-6-7-11-23(22)31(25)13-12-24(32)21-8-4-3-5-9-21;2*5-3(6)1-2-4(7)8/h3-11,20H,12-19H2,1-2H3,(H,27,33);2*1-2H,(H,5,6)(H,7,8)


name: 21-hydroxy-20-methylpregn-4-en-3-one
cas: 60966-36-1
formula: C22H34O2
inchikey: ZNWOYQVXPIEQRC-ZRFCQXGJSA-N
norman_susdat_id: NS00054187
pubchem_cid: 6454094
smiles: O=C1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CO)C2(C)CC1
inchi:
InChI=1/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12,14,17-20,23H,4-11,13H2,1-3H3


name: Tasimelteon
cas: 609799-22-6
chebiid: CHEBI:79042
chemspiderid: 8395995
dtxsid: DTXSID70209826
formula: C15H19N1O2
inchikey: PTOIAAWZLUQTIO-GXFFZTMASA-N
norman_susdat_id: NS00034514
pubchem_cid: 10220503
smiles: CCC(=O)NC[C@@H]1C[C@H]1C1=C2CCOC2=CC=C1
inchi:
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1


name: 1-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl]methanamine
cas: 609816-23-1
chemspiderid: 17339181
dtxsid: DTXSID00583368
formula: C17H12F17N1
inchikey: MNOIHTZEQBURKA-UHFFFAOYSA-N
norman_susdat_id: NS00019159
pubchem_cid: 16211122
smiles: NCC1=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/C17H12F17N/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/h1-4H,5-7,35H2


name: (8a,9R)-1'-benzyl-9-hydroxy-6'-methoxycinchonanium chloride
cas: 60990-88-7
dtxsid: DTXSID70976465
formula: C27H32N2O2
inchikey: IZXATUUQLBEIJR-PWMYKVQHSA-N
norman_susdat_id: NS00054682
pubchem_cid: NA
smiles: [Cl-].OC(C1=CCN(C=2C=CC(OC)=CC21)CC=3C=CC=CC3)C4CC5CC[NH+]4CC5C=C
inchi:
InChI=1/C27H32N2O2.ClH/c1-3-20-18-29-13-11-21(20)15-26(29)27(30)23-12-14-28(17-19-7-5-4-6-8-19)25-10-9-22(31-2)16-24(23)25;/h3-10,12,16,20-21,26-27,30H,1,11,13-15,17-18H2,2H3;1H


name: Acetylpromazine
cas: 61-00-7
chebiid: CHEBI:44932
chemspiderid: 5852
dtxsid: DTXSID1022552
formula: C19H22N2O1S1
inchikey: NOSIYYJFMPDDSA-UHFFFAOYSA-N
norman_susdat_id: NS00008480
pubchem_cid: 6077
smiles: CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O
inchi:
InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3


name: Methoxypromazine
cas: 61-01-8
chebiid: CHEBI:135347
chemspiderid: 17796
dtxsid: DTXSID90209843
formula: C18H22N2O1S1
inchikey: BRABPYPSZVCCLR-UHFFFAOYSA-N
norman_susdat_id: NS00034527
pubchem_cid: 18847
smiles: OC(=O)/C=CC(=O)O.COc1ccc2Sc3c(cccc3)N(CCCN(C)C)c2c1
inchi:
InChI=1S/C18H22N2OS/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/h4-5,7-10,13H,6,11-12H2,1-3H3


name: Cinchocaine hydrochloride
cas: 61-12-1
formula: C20H29N3O2.ClH
inchikey: RNNUWFKTFZBKLL-UHFFFAOYSA-N
norman_susdat_id: NS00079151
smiles: Cl.Cl.CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
inchi:
InChI=1/C20H29N3O2.2ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);2*1H


name: Adenosine 5'-phosphate
cas: 61-19-8
chemspiderid: 21112054
dtxsid: DTXSID5022560
formula: C10H14N5O7P1
inchikey: UDMBCSSLTHHNCD-UHFFFAOYSA-N
norman_susdat_id: NS00013345
pubchem_cid: 224
smiles: Nc1ncnc2n(cnc12)C3OC(CO[P](O)(O)=O)C(O)C3O
inchi:
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)


name: 7-(5-amino-5-carboxyvaleramido)cephalosporanic acid
cas: 61-24-5
formula: C16H21N3O8S
inchikey: HOKIDJSKDBPKTQ-UHFFFAOYSA-N
norman_susdat_id: NS00079152
smiles: CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O
inchi:
InChI=1/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)


name: Papaverine hydrochloride
cas: 61-25-6
formula: C20H21NO4.ClH
inchikey: UOTMYNBWXDUBNX-UHFFFAOYSA-N
norman_susdat_id: NS00078975
smiles: Cl.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1/C20H21NO4.ClH/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;/h5-8,10-12H,9H2,1-4H3;1H


name: Methicillin
cas: 61-32-5
chebiid: CHEBI:6827
chemspiderid: 5862
dtxsid: DTXSID6023284
formula: C17H20N2O6S1
inchikey: RJQXTJLFIWVMTO-TYNCELHUSA-N
norman_susdat_id: NS00005780
pubchem_cid: 6087
smiles: COc1cccc(OC)c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
inchi:
InChI=1S/C17H20N2O6S/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23)/t11-,12+,15-/m1/s1


name: Benzylpenicillin
cas: 61-33-6
chebiid: CHEBI:18208
chemspiderid: 5693
dtxsid: DTXSID2047804
formula: C16H18N2O4S
inchikey: JGSARLDLIJGVTE-MBNYWOFBSA-N
norman_susdat_id: NS00068016
pubchem_cid: 5904
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C
inchi:
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1


name: Sulthiame
cas: 61-56-3
chebiid: CHEBI:32171
chemspiderid: 5163
dtxsid: DTXSID4023626
formula: C10H14N2O4S2
inchikey: HMHVCUVYZFYAJI-UHFFFAOYSA-N
norman_susdat_id: NS00007900
pubchem_cid: 5356
smiles: NS(=O)(=O)c1ccc(cc1)N1CCCCS1(=O)=O
inchi:
InChI=1S/C10H14N2O4S2/c11-18(15,16)10-5-3-9(4-6-10)12-7-1-2-8-17(12,13)14/h3-6H,1-2,7-8H2,(H2,11,15,16)


name: Cloxacillin
cas: 61-72-3
chebiid: CHEBI:49566
chemspiderid: 5873
dtxsid: DTXSID5022853
formula: C19H18Cl1N3O5S1
inchikey: LQOLIRLGBULYKD-JKIFEVAISA-N
norman_susdat_id: NS00000114
pubchem_cid: 6098
smiles: O=C(O)[C@@H]3N4C(=O)[C@@H](NC(=O)c2c(onc2c1ccccc1Cl)C)[C@H]4SC3(C)C
inchi:
InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1


name: Bretylium tosilate
cas: 61-75-6
chebiid: CHEBI:3173
formula: C11H17BrN.C7H7O3S
inchikey: KVWNWTZZBKCOPM-UHFFFAOYSA-M
norman_susdat_id: NS00078978
smiles: CC[N+](C)(C)Cc1ccccc1Br.Cc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Guanidine, compound with 4,4'-isopropylidenebis[2,6-dibromophenol] (2:1)
cas: 61007-67-8
formula: C15H12Br4O2.2CH5N3
inchikey: LBTKSSJRLOXGSV-UHFFFAOYSA-N
norman_susdat_id: NS00087438
smiles: CC(C)(c1cc(Br)c(O)c(Br)c1)c2cc(Br)c(O)c(Br)c2.NC(=N)N.NC(=N)N
inchi:
InChI=1/C15H12Br4O2.2CH5N3/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;2*2-1(3)4/h3-6,20-21H,1-2H3;2*(H5,2,3,4)


name: Diammonium methylenebisnaphthalenesulphonate
cas: 61009-11-8
formula: C21H16O6S2.2H3N
inchikey: IYAZIAWDRDGKKX-UHFFFAOYSA-N
norman_susdat_id: NS00087146
smiles: [NH4+].[NH4+].[O-]S(=O)(=O)c1c(Cc2ccc3ccccc3c2S(=O)(=O)[O-])ccc4ccccc14
inchi:
InChI=1/C21H16O6S2.2H3N/c22-28(23,24)20-16(11-9-14-5-1-3-7-18(14)20)13-17-12-10-15-6-2-4-8-19(15)21(17)29(25,26)27;;/h1-12H,13H2,(H,22,23,24)(H,25,26,27);2*1H3


name: 25-Acetylbryoamarid
cas: 61014-18-4
chemspiderid: 101306926
formula: C38H56O13
inchikey: FZZZUXSEPKGDPU-HQYHIXMQSA-N
norman_susdat_id: NS00094089
smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O


name: Fenapanil
cas: 61019-78-1
chebiid: CHEBI:4997
chemspiderid: 39671
dtxsid: DTXSID7041968
formula: C16H19N3
inchikey: OQOULEWDDRNBSG-UHFFFAOYNA-N
norman_susdat_id: NS00034528
pubchem_cid: NA
smiles: CCCCC(Cn1ccnc1)(C#N)c1ccccc1
inchi:
InChI=1S/C16H19N3/c1-2-3-9-16(12-17,13-19-11-10-18-14-19)15-7-5-4-6-8-15/h4-8,10-11,14H,2-3,9,13H2,1H3/t16-/m1/s1


name: Sodium N-tetradecyl-ß-alaninate
cas: 6102-28-9
formula: C17H35NO2.Na
inchikey: QCSYDNSOSLJXCQ-UHFFFAOYSA-M
norman_susdat_id: NS00081104
smiles: [Na+].CCCCCCCCCCCCCCNCCC(=O)[O-]
inchi:
InChI=1/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1


name: Teicoplanin
cas: 61036-62-2
chemspiderid: 23320224
dtxsid: DTXSID4048642
formula: C88H97Cl2N9O33
inchikey: BJNLLBUOHPVGFT-QRZIFLFXSA-N
norman_susdat_id: NS00003656
pubchem_cid: 16131923
inchi:
InChI=1S/C88H97Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)94-68-74(113)71(110)58(32-101)129-87(68)132-78-55-26-40-27-56(78)126-52-18-14-38(24-47(52)90)77(131-86-67(92-34(2)103)73(112)70(109)57(31-100)128-86)69-84(121)98-66(85(122)123)45-29-42(105)30-54(127-88-76(115)75(114)72(111)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)99-69)96-83(120)65(40)97-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)95-64)20-35-11-17-51(125-55)46(89)19-35/h11-19,21-30,48,57-59,62-77,86-88,100-102,104-107,109-115H,3-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,108)(H,95,116)(H,96,120)(H,97,119)(H,98,121)(H,99,118)(H,122,123)/t48-,57-,58-,59-,62-,63-,64+,65-,66-,67-,68-,69+,70-,71-,72-,73-,74-,75+,76+,77-,86+,87+,88+/m1/s1

smiles:
CCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@@H](NC1=O)C(O)=O)c5)cc3Cl


name: .beta.-Alanine, N-[3-(acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester
cas: 61038-96-8
chemspiderid: 98058
dtxsid: DTXSID2069442
formula: C16H22N2O5
inchikey: SXJIGSGZTVVZEB-UHFFFAOYSA-N
norman_susdat_id: NS00034535
pubchem_cid: 109040
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1
inchi:
InChI=1S/C16H22N2O5/c1-12(19)17-13-5-4-6-14(11-13)18(9-7-15(20)22-2)10-8-16(21)23-3/h4-6,11H,7-10H2,1-3H3,(H,17,19)


name: Benzoic acid, 4-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-, methyl ester
cas: 61038-97-9
chemspiderid: 98059
dtxsid: DTXSID7069443
formula: C24H28N4O7
inchikey: HMRLZWZWXRVZDE-UHFFFAOYSA-N
norman_susdat_id: NS00034536
pubchem_cid: 109041
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)c(cc1)N=Nc1ccc(cc1)C(=O)OC
inchi:
InChI=1S/C24H28N4O7/c1-16(29)25-21-15-19(28(13-11-22(30)33-2)14-12-23(31)34-3)9-10-20(21)27-26-18-7-5-17(6-8-18)24(32)35-4/h5-10,15H,11-14H2,1-4H3,(H,25,29)/b27-26+


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-(2-hydroxyethyl)nonanamide
cas: 6104-17-2
dtxsid: DTXSID80896089
formula: C11H6F17NO2
inchikey: JFDOEXGUBUFCIO-UHFFFAOYSA-N
norman_susdat_id: NS00111786
smiles: OCCNC(=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/C11H6F17NO2/c12-4(13,3(31)29-1-2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h30H,1-2H2,(H,29,31)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-(propan-2-yl)nonanamide
cas: 6104-22-9
dtxsid: DTXSID70896033
formula: C12H8F17NO
inchikey: BVQXSASJCAZAJV-UHFFFAOYSA-N
norman_susdat_id: NS00111447
smiles: CC(C)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
inchi:
InChI=1S/C12H8F17NO/c1-3(2)30-4(31)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3H,1-2H3,(H,30,31)


cas: 6104-53-6
formula: C33H22N6O8S4
inchikey: RZGZQZPIIISJQH-UHFFFAOYSA-L
norman_susdat_id: NS00045463
pubchem_cid: NA
name:
Disodium 2'-[4-[[2,6-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C33H22N6O8S4.2Na/c1-17-2-12-25-30(31(17)51(45,46)47)49-33(35-25)19-5-13-23-27(16-19)48-32(34-23)18-3-6-20(7-4-18)37-39-28-26(40)15-14-24(29(28)41)38-36-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,40-41H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(C=C3)C4=NC5=CC=C(C=C5S4)C6=NC=7C=CC(=C(C7S6)S(=O)(=O)[O-])C)=C2O)C=C1


cas: 6104-56-9
dtxsid: DTXSID30889502
formula: C41H31N7O12S3
inchikey: DZSJSWXRTVFCNO-UHFFFAOYSA-K
norman_susdat_id: NS00046003
pubchem_cid: NA
name:
Trisodium 7-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoyl]amino]-o-tolyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C41H31N7O12S3.3Na/c1-22-16-29(13-15-35(22)47-46-31-11-6-25-18-32(61(52,53)54)21-36(34(25)20-31)62(55,56)57)43-41(51)24-4-9-28(10-5-24)45-48-38-37(63(58,59)60)19-26-17-30(12-14-33(26)39(38)49)44-40(50)23-2-7-27(42)8-3-23;;;/h2-21,49H,42H2,1H3,(H,43,51)(H,44,50)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)C(=O)NC4=CC=C(N=NC5=CC=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)C)C2O)S(=O)(=O)[O-])C7=CC=C(N)C=C7


name: N-Desmethylclozapine
cas: 6104-71-8
chebiid: CHEBI:64050
chemspiderid: 14126465
dtxsid: DTXSID0042616
formula: C17H17Cl1N4
inchikey: JNNOSTQEZICQQP-UHFFFAOYSA-N
norman_susdat_id: NS00010419
pubchem_cid: NA
smiles: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
inchi:
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2


name: N-(3-carboxy-1-oxopropyl)-L-alanyl-L-alanyl-N-(4-nitrophenyl)-L-valinamide
cas: 61043-47-8
dtxsid: DTXSID70976541
formula: C21H30N5O8
inchikey: IFAOJWCXOQHSQT-LXIYXOSZSA-N
norman_susdat_id: NS00054211
pubchem_cid: 20833159
smiles: O=C(O)CCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])C(C)C)C)C
inchi:
InChI=1/C21H29N5O8/c1-11(2)18(21(32)24-14-5-7-15(8-6-14)26(33)34)25-20(31)13(4)23-19(30)12(3)22-16(27)9-10-17(28)29/h5-8,11-13,18H,9-10H2,1-4H3,(H,22,27)(H,23,30)(H,24,32)(H,25,31)(H,28,29)


name: Ethanol, 2,2'-[[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]imino]bis-
cas: 61049-89-6
chemspiderid: 98060
dtxsid: DTXSID7069445
formula: C19H21N5O2S1
inchikey: BCWCNVJFJHRIFZ-UHFFFAOYSA-N
norman_susdat_id: NS00034541
pubchem_cid: 109043
smiles: Cc1c(ccc(c1)N(CCO)CCO)N=Nc1nc(ns1)c1ccccc1
inchi:
InChI=1S/C19H21N5O2S/c1-14-13-16(24(9-11-25)10-12-26)7-8-17(14)21-22-19-20-18(23-27-19)15-5-3-2-4-6-15/h2-8,13,25-26H,9-12H2,1H3/b22-21+


name: Ethanol, 2-[butyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]-
cas: 61049-90-9
chemspiderid: 98061
dtxsid: DTXSID2069446
formula: C20H23N5O1S1
inchikey: FOVVNVHNNGUMFG-UHFFFAOYSA-N
norman_susdat_id: NS00034542
pubchem_cid: 109044
smiles: CCCCN(CCO)c1ccc(cc1)N=Nc1nc(ns1)c1ccccc1
inchi:
InChI=1S/C20H23N5OS/c1-2-3-13-25(14-15-26)18-11-9-17(10-12-18)22-23-20-21-19(24-27-20)16-7-5-4-6-8-16/h4-12,26H,2-3,13-15H2,1H3/b23-22+


name: N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)azo]naphthalene-2-carboxamide
cas: 61050-17-7
dtxsid: DTXSID7069447
formula: C26H23N3O5
inchikey: SHSVLNIISPYNHX-UHFFFAOYSA-N
norman_susdat_id: NS00054684
pubchem_cid: 109045
smiles: O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(OC)C=C4)=C2O
inchi:
InChI=1/C26H23N3O5/c1-32-18-10-8-17(9-11-18)28-29-24-20-7-5-4-6-16(20)14-21(25(24)30)26(31)27-22-15-19(33-2)12-13-23(22)34-3/h4-15,30H,1-3H3,(H,27,31)


name: N-(2,4-dimethoxyphenyl)-3-hydroxy-4-[(4-methoxyphenyl)azo]naphthalene-2-carboxamide
cas: 61050-18-8
formula: C26H23N3O5
inchikey: OFTBEVOAJZJTDC-UHFFFAOYSA-N
norman_susdat_id: NS00054212
pubchem_cid: 3017216
smiles: O=C(NC1=CC=C(OC)C=C1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(OC)C=C4)=C2O
inchi:
InChI=1/C26H23N3O5/c1-32-18-10-8-17(9-11-18)28-29-24-20-7-5-4-6-16(20)14-21(25(24)30)26(31)27-22-13-12-19(33-2)15-23(22)34-3/h4-15,30H,1-3H3,(H,27,31)


name: 4-[(4-ethylphenyl)azo]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
cas: 61050-41-7
dtxsid: DTXSID1069451
formula: C26H23N3O3
inchikey: GDCAUDDVEGSUMC-UHFFFAOYSA-N
norman_susdat_id: NS00054620
pubchem_cid: 109049
smiles: O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4)CC)=C2O
inchi:
InChI=1/C26H23N3O3/c1-3-17-8-10-20(11-9-17)28-29-24-22-7-5-4-6-18(22)16-23(25(24)30)26(31)27-19-12-14-21(32-2)15-13-19/h4-16,30H,3H2,1-2H3,(H,27,31)


name: N-(2,5-dimethoxyphenyl)-4-[(2-ethylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
cas: 61050-46-2
dtxsid: DTXSID6069452
formula: C27H25N3O4
inchikey: TYPLAIODXBMXQL-UHFFFAOYSA-N
norman_susdat_id: NS00054213
pubchem_cid: 109050
smiles: O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4CC)=C2O
inchi:
InChI=1/C27H25N3O4/c1-4-17-9-6-8-12-22(17)29-30-25-20-11-7-5-10-18(20)15-21(26(25)31)27(32)28-23-16-19(33-2)13-14-24(23)34-3/h5-16,31H,4H2,1-3H3,(H,28,32)


name: 4,4'-(4,5,6,7-tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dichlorophenol] S,S-dioxide
cas: 61053-97-2
dtxsid: DTXSID30897400
formula: C19H6Br4Cl4O5S
inchikey: MJVQTNLSJHMBJI-UHFFFAOYSA-N
norman_susdat_id: NS00054214
pubchem_cid: 6454108
smiles: O=S1(=O)OC(C2=CC(Cl)=C(O)C(Cl)=C2)(C3=CC(Cl)=C(O)C(Cl)=C3)C=4C(Br)=C(Br)C(Br)=C(Br)C41
inchi:
InChI=1/C19H6Br4Cl4O5S/c20-12-11-18(15(23)14(22)13(12)21)33(30,31)32-19(11,5-1-7(24)16(28)8(25)2-5)6-3-9(26)17(29)10(27)4-6/h1-4,28-29H


cas: 6106-18-9
formula: C15H20O4.Na
inchikey: QSSKJSNGFQIMAP-UHFFFAOYSA-M
norman_susdat_id: NS00081498
smiles: CC(C1CCC2(C)C=CC(=O)C(=C2C1O)C)C(=O)O[Na]
name:
Sodium [1S-[1a,2ß(R*),4aß]]-1,2,3,4,4a,7-hexahydro-1-hydroxy-a,4a,8-trimethyl-7-oxonaphthalene-2-acetate

inchi:
InChI=1/C15H20O4.Na/c1-8(14(18)19)10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)17;/h5,7-8,10,13,17H,4,6H2,1-3H3,(H,18,19);/q;+1/p-1


name: Scopolamine N-oxide hydrobromide
cas: 6106-81-6
chemspiderid: 1220
dtxsid: DTXSID2045101
formula: C17H21N1O5
inchikey: MGNNYKWRWHQLCR-FDJOISAFSA-N
norman_susdat_id: NS00034552
pubchem_cid: NA
smiles: [Br-].C[N+]1([O-])[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)c1ccccc1.[H+]
inchi:
InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+,18+/m0/s1


name: Dihydrogen tetrachlorozincate(2-), compound with 6-fluoro-2-methylquinoline (1:2)
cas: 61075-86-3
formula: C10H8FN.1/2Cl4Zn.H
inchikey: HILFBQDBKOIYMH-UHFFFAOYSA-J
norman_susdat_id: NS00087164
smiles: Cc1ccc2cc(F)ccc2n1.Cc3ccc4cc(F)ccc4n3.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H8FN.4ClH.Zn/c2*1-7-2-3-8-6-9(11)4-5-10(8)12-7;;;;;/h2*2-6H,1H3;4*1H;/q;;;;;;+2/p-4/r2C10H8FN.Cl4Zn/c2*1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-5(2,3)4/h2*2-6H,1H3;/q;;-2


name: 4-Bromo-2-[4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonyl]phenol
cas: 610778-18-2
dtxsid: DTXSID20896386
formula: C16H10BrF15O
inchikey: PIDMBACJRPFEPM-UHFFFAOYSA-N
norman_susdat_id: NS00109761
smiles: Oc1ccc(Br)cc1CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C16H10BrF15O/c17-8-3-4-9(33)7(6-8)2-1-5-10(18,19)12(21,22)14(25,26)13(23,24)11(20,15(27,28)29)16(30,31)32/h3-4,6,33H,1-2,5H2


cas: 610782-82-6
formula: C18H23NO2
inchikey: OCUKPFWNSAAHRP-QZTJIDSGSA-N
norman_susdat_id: NS00073602
pubchem_cid: 71301276
smiles: COC[C@@]1(C)CCCN2CCc3c(oc4ccccc34)[C@@H]21
name:
3-(methoxymethyl)-3-methyl-17-oxa-7-azatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(10),11(16),12,14-tetraene

inchi:
InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1


name: Icotinib
cas: 610798-31-7
dtxsid: DTXSID20209952
formula: C22H21N3O4
inchikey: QQLKULDARVNMAL-UHFFFAOYSA-N
norman_susdat_id: NS00072579
pubchem_cid: 22024915
smiles: C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1
inchi:
InChI=1S/C22H21N3O4/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20/h1,3-5,12-15H,6-11H2,(H,23,24,25)


name: Lidocaine hydrochloride monohydrate
cas: 6108-05-0
chebiid: CHEBI:60791
dtxsid: DTXSID80209953
formula: C14H25ClN2O2
inchikey: YECIFGHRMFEPJK-UHFFFAOYSA-N
norman_susdat_id: NS00076418
smiles: O.Cl.CCN(CC)CC(=O)NC1=C(C)C=CC=C1C
inchi:
InChI=1S/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2


name: [2-[(chloroformyl)oxy]ethyl]triphenylphosphonium chloride
cas: 61083-59-8
dtxsid: DTXSID80976577
formula: C21H19ClO2P
inchikey: PUPJXJKSQGVMLT-UHFFFAOYSA-M
norman_susdat_id: NS00054120
pubchem_cid: 3017220
smiles: [Cl-].O=C(Cl)OCC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H19ClO2P.ClH/c22-21(23)24-16-17-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H/q+1;/p-1


name: 1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carbonitrile
cas: 61085-37-8
dtxsid: DTXSID60209956
formula: C19H20FN3
inchikey: GBJAQCLSQLBKOW-UHFFFAOYSA-N
norman_susdat_id: NS00053328
pubchem_cid: 3017222
smiles: N#CC1(NC2=CC=C(F)C=C2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H20FN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2


name: 1-benzyl-4-[(4-fluorophenyl)amino]piperidine-4-carboxamide
cas: 61085-41-4
dtxsid: DTXSID20209957
formula: C19H22FN3O
inchikey: DICTXEPQAOBPNR-UHFFFAOYSA-N
norman_susdat_id: NS00052809
pubchem_cid: 3017223
smiles: O=C(N)C1(NC2=CC=C(F)C=C2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H22FN3O/c20-16-6-8-17(9-7-16)22-19(18(21)24)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H2,21,24)


name: Methyl cis-4-anilino-4-carbamoyl-3-methylpiperidine-1-carboxylate
cas: 61085-44-7
dtxsid: DTXSID00976579
formula: C15H21N3O3
inchikey: OUODHLPMXVJDFG-XHDPSFHLSA-N
norman_susdat_id: NS00052810
pubchem_cid: 12298137
smiles: O=C(OC)N1CCC(NC=2C=CC=CC2)(C(=O)N)C(C)C1
inchi:
InChI=1/C15H21N3O3/c1-11-10-18(14(20)21-2)9-8-15(11,13(16)19)17-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,16,19)


name: Sodium 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
cas: 61085-47-0
formula: C19H22N2O2.Na
inchikey: BVMUUCRIMILCIA-UHFFFAOYSA-M
norman_susdat_id: NS00086352
smiles: [Na+].[O-]C(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3
inchi:
InChI=1/C19H22N2O2.Na/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);/q;+1/p-1


name: Methyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
cas: 61085-60-7
chemspiderid: 2006571
dtxsid: DTXSID40209959
formula: C20H24N2O2
inchikey: NPNNCHCGYDKUTA-UHFFFAOYSA-N
norman_susdat_id: NS00034556
pubchem_cid: 2724430
smiles: COC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
inchi:
InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3


name: Methyl 1-benzyl-4-[(propionyl)phenylamino]piperidine-4-carboxylate
cas: 61085-72-1
dtxsid: DTXSID50209960
formula: C23H28N2O3
inchikey: QKRGHVDSVANHAD-UHFFFAOYSA-N
norman_susdat_id: NS00053329
pubchem_cid: 2724433
smiles: O=C(OC)C1(N(C=2C=CC=CC2)C(=O)CC)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3


name: cis-3-methyl-4-(phenylamino)piperidine-4-carboxamide
cas: 61085-79-8
dtxsid: DTXSID10976580
formula: C13H19N3O
inchikey: AYSXUQVRTPEXOH-GXFFZTMASA-N
norman_susdat_id: NS00053269
pubchem_cid: 12298170
smiles: O=C(N)C1(NC=2C=CC=CC2)CCNCC1C
inchi:
InChI=1/C13H19N3O/c1-10-9-15-8-7-13(10,12(14)17)16-11-5-3-2-4-6-11/h2-6,10,15-16H,7-9H2,1H3,(H2,14,17)


name: cis-3-methyl-1-phenethyl-4-(phenylamino)piperidine-4-carboxamide
cas: 61085-92-5
dtxsid: DTXSID70976581
formula: C21H27N3O
inchikey: GUBFHFABUBMECE-LAUBAEHRSA-N
norman_susdat_id: NS00053330
pubchem_cid: 12298187
smiles: O=C(N)C1(NC=2C=CC=CC2)CCN(CCC=3C=CC=CC3)CC1C
inchi:
InChI=1/C21H27N3O/c1-17-16-24(14-12-18-8-4-2-5-9-18)15-13-21(17,20(22)25)23-19-10-6-3-7-11-19/h2-11,17,23H,12-16H2,1H3,(H2,22,25)


name: Methyl cis-4-anilino-3-methyl-1-phenethylpiperidine-4-carboxylate
cas: 61085-96-9
formula: C22H28N2O2
inchikey: ULCFSXQHBSJRKV-PGRDOPGGSA-N
norman_susdat_id: NS00086106
smiles: COC(=O)[C@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc3ccccc3
inchi:
InChI=1/C22H28N2O2/c1-18-17-24(15-13-19-9-5-3-6-10-19)16-14-22(18,21(25)26-2)23-20-11-7-4-8-12-20/h3-12,18,23H,13-17H2,1-2H3


name: 1-Benzyl-4-(phenylamino)piperidine-4-methanol
cas: 61086-04-2
chemspiderid: 2285004
dtxsid: DTXSID10209961
formula: C19H24N2O1
inchikey: WTOYUGZUPNQZHG-UHFFFAOYSA-N
norman_susdat_id: NS00034558
pubchem_cid: 3017230
smiles: OCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
inchi:
InChI=1S/C19H24N2O/c22-16-19(20-18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10,20,22H,11-16H2


name: N-(1-Benzyl-4-(methoxymethyl)piperidin-4-yl)-N-phenylpropionamide
cas: 61086-12-2
chemspiderid: 2285005
dtxsid: DTXSID70209962
formula: C23H30N2O2
inchikey: RIGNIZMZYKGGHY-UHFFFAOYSA-N
norman_susdat_id: NS00034559
pubchem_cid: 3017231
smiles: CCC(=O)N(c1ccccc1)C1(COC)CCN(Cc2ccccc2)CC1
inchi:
InChI=1S/C23H30N2O2/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3


name: N-[1-benzyl-4-(methoxymethyl)-4-piperidyl]-N-phenylpropionamide oxalate
cas: 61086-13-3
formula: C23H30N2O2.C2H2O4
inchikey: AFLKBESYVTWUMU-UHFFFAOYSA-N
norman_susdat_id: NS00086369
smiles: CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2.OC(=O)C(=O)O
inchi:
InChI=1/C23H30N2O2.C2H2O4/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20;3-1(4)2(5)6/h4-13H,3,14-19H2,1-2H3;(H,3,4)(H,5,6)


name: Noralfentanil
cas: 61086-18-8
chebiid: CHEBI:174649
chemspiderid: 142419
dtxsid: DTXSID90209964
formula: C16H24N2O2
inchikey: ULOZGJWEIWAWML-UHFFFAOYSA-N
norman_susdat_id: NS00017208
pubchem_cid: 162172
smiles: CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)COC
inchi:
InChI=1S/C16H24N2O2/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h4-8,17H,3,9-13H2,1-2H3


name: 1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid monohydrochloride
cas: 61087-51-2
formula: C19H22N2O2.ClH
inchikey: XPWBXWQFCBZDLL-UHFFFAOYSA-N
norman_susdat_id: NS00087111
smiles: Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3
inchi:
InChI=1/C19H22N2O2.ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;/h1-10,20H,11-15H2,(H,22,23);1H


cas: 61090-89-9
chemspiderid: 98064
dtxsid: DTXSID1069455
formula: C15H24Br6O8P2
inchikey: UASQAKNFTHVEDR-UHFFFAOYSA-N
norman_susdat_id: NS00034561
pubchem_cid: 109053
smiles: BrCC(CBr)(CBr)COP1(=O)OCC2(CO1)COP(=O)(OCC(CBr)(CBr)CBr)OC2
name:
2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis[3-bromo-2,2-bis(bromomethyl)propoxy]-, 3,9-dioxide

inchi:
InChI=1S/C15H24Br6O8P2/c16-1-13(2-17,3-18)7-24-30(22)26-9-15(10-27-30)11-28-31(23,29-12-15)25-8-14(4-19,5-20)6-21/h1-12H2/t15-,30-,31-/m1/s1


name: Bis(perfluoro(1-[(3,6-dimethyl-1,4-dioxan-2-yl)oxy]ethyl)) ketone
cas: 61097-96-9
chemspiderid: 4956454
dtxsid: DTXSID40880520
formula: C17F30O7
inchikey: CBUWIAZYOKAVDV-UHFFFAOYSA-N
norman_susdat_id: NS00019161
pubchem_cid: 6454118
inchi:
InChI=1S/C17F30O7/c18-2(8(24,25)26,49-16(46)6(22,12(36,37)38)51-14(42,43)4(20,53-16)10(30,31)32)1(48)3(19,9(27,28)29)50-17(47)7(23,13(39,40)41)52-15(44,45)5(21,54-17)11(33,34)35

smiles:
FC(F)(F)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(=O)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(F)(F)F


name: Perfluoro-2,3-bis(2,5-dimethyl-1,4-dioxan-3-oxy)butane
cas: 61097-98-1
chemspiderid: NA
dtxsid: DTXSID00880521
formula: C16F30O6
inchikey: AUDGRIDGLXZITI-UHFFFAOYSA-N
norman_susdat_id: NS00019162
pubchem_cid: 22766969
inchi:
InChI=1S/C16F30O6/c17-1(7(23,24)25,49-15(45)5(21,11(35,36)37)47-13(41,42)3(19,51-15)9(29,30)31)2(18,8(26,27)28)50-16(46)6(22,12(38,39)40)48-14(43,44)4(20,52-16)10(32,33)34

smiles:
FC(F)(F)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(F)(OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F)C(F)(F)F


cas: 61098-01-9
dtxsid: DTXSID00896526
formula: C22F46O6
inchikey: CGVSQESGRSXVJM-UHFFFAOYSA-N
norman_susdat_id: NS00109068
name:
1,1,1,2,2,3,3,5,6,6,8,9,9,11,12,14,14,15,17,17,18,20,20,21,21,22,22,22-Octacosafluoro-5,8,11,12,15,18-hexakis(trifluoromethyl)-4,7,10,13,16,19-hexaoxadocosane

inchi:
InChI=1/C22F46O6/c23-1(24,9(33,34)35)17(57,58)71-5(29,13(45,46)47)21(65,66)73-7(31,15(51,52)53)19(61,62)69-3(27,11(39,40)41)4(28,12(42,43)44)70-20(63,64)8(32,16(54,55)56)74-22(67,68)6(30,14(48,49)50)72-18(59,60)2(25,26)10(36,37)38

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


name: Ibacitabine
cas: 611-53-0
chebiid: CHEBI:135996
chemspiderid: 58561
dtxsid: DTXSID50209985
formula: C9H12I1N3O4
inchikey: WEVJJMPVVFNAHZ-RRKCRQDMSA-N
norman_susdat_id: NS00034585
pubchem_cid: 65050
smiles: Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](CO)O1
inchi:
InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1


name: Bromhexine hydrochloride
cas: 611-75-6
chebiid: CHEBI:31303
chemspiderid: 4642584
dtxsid: DTXSID0045886
formula: C14H20Br2N2
inchikey: UCDKONUHZNTQPY-UHFFFAOYSA-N
norman_susdat_id: NS00021246
pubchem_cid: 43833350
smiles: [Cl-].CC(N)(C1CCCCC1)c1c(N)c(Br)cc(Br)c1.[H+]
inchi:
InChI=1S/C14H20Br2N2/c1-14(18,9-5-3-2-4-6-9)11-7-10(15)8-12(16)13(11)17/h7-9H,2-6,17-18H2,1H3/t14-/m1/s1


name: Austin
cas: 61103-89-7
chemspiderid: 52083136
dtxsid: DTXSID00893994
formula: C27H32O9
inchikey: DEMDOYQPCDXCEB-WLEVADLXSA-N
norman_susdat_id: NS00094950
pubchem_cid: 38353601
inchi:
InChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1

smiles:
C[C@H]1[C@@]2(C(=O)O[C@]3([C@@H](C4=C([C@]5(CC[C@]4([C@@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)OC(=O)C)C)O


cas: 61105-51-9
chemspiderid: 23264945
dtxsid: DTXSID30658770
formula: C36H54O12
inchikey: QCAZYVAEXLGYLV-HPCBBFKLSA-N
norman_susdat_id: NS00094690
pubchem_cid: 44406496
name:
(4R,9beta,16alpha)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl beta-D-glucopyranoside

inchi:
InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1

smiles:
CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C


name: C.I. Reactive red 88
cas: 61109-27-1
chemspiderid: 52563980
formula: C20H14Cl2N6O10S3
inchikey: ALSVRBSJIOHCLZ-TYMWBDRGSA-K
norman_susdat_id: NS00021245
pubchem_cid: NA
inchi:
InChI=1S/C20H14Cl2N6O10S3/c1-8-2-3-11(13(4-8)40(33,34)35)27-28-16-14(41(36,37)38)6-9-5-10(39(30,31)32)7-12(15(9)17(16)29)23-20-25-18(21)24-19(22)26-20/h2-7,29H,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,23,24,25,26)/b28-27+

smiles:
Cc1ccc(c(c1)S(=O)(=O)[O-])/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]


name: Ravicti
cas: 611168-24-2
chebiid: CHEBI:134745
dtxsid: DTXSID40210005
formula: C33H38O6
inchikey: ZSDBFLMJVAGKOU-UHFFFAOYSA-N
norman_susdat_id: NS00072301
pubchem_cid: 10482134
smiles: O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
inchi:
InChI=1S/C33H38O6/c34-31(22-10-19-27-13-4-1-5-14-27)37-25-30(39-33(36)24-12-21-29-17-8-3-9-18-29)26-38-32(35)23-11-20-28-15-6-2-7-16-28/h1-9,13-18,30H,10-12,19-26H2


name: Aristolochic acid
cas: 61117-05-3
chebiid: CHEBI:2825
chemspiderid: 2149
dtxsid: DTXSID0040969
formula: C17H11N1O7
inchikey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
norman_susdat_id: NS00003942
pubchem_cid: 2236
smiles: COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O
inchi:
InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)


name: 1,3-Bis[(6H-perfluorohexyl)methoxy]-2-propanol hydrogen sulfate sodium
cas: 61119-62-8
chemspiderid: NA
dtxsid: DTXSID70881363
formula: C17H12F24O6S1
inchikey: FJQBMVJOCRTHGS-UHFFFAOYSA-M
norman_susdat_id: NS00019163
pubchem_cid: 101654140
inchi:
InChI=1S/C17H12F24O6S/c18-6(19)10(26,27)14(34,35)16(38,39)12(30,31)8(22,23)3-45-1-5(47-48(42,43)44)2-46-4-9(24,25)13(32,33)17(40,41)15(36,37)11(28,29)7(20)21/h5-7H,1-4H2,(H,42,43,44)

smiles:
[Na+].[O-]S(=O)(=O)OC(COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F


name: 3-methylbenzothiazolium toluene-4-sulphonate
cas: 6112-39-6
formula: C8H8NS.C7H7O3S
inchikey: VSLLSCGWLKZXJL-UHFFFAOYSA-M
norman_susdat_id: NS00081105
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2csc3ccccc23
inchi:
InChI=1/C8H8NS.C7H8O3S/c1-9-6-10-8-5-3-2-4-7(8)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Perphenazine decanoate
cas: 61120-81-8
chemspiderid: 56603
dtxsid: DTXSID00210006
formula: C31H44Cl1N3O2S1
inchikey: WAVWONFNDBPAGA-UHFFFAOYSA-N
norman_susdat_id: NS00020851
pubchem_cid: 62873
smiles: CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3c(Sc4c2cc(Cl)cc4)cccc3)CC1
inchi:
InChI=1S/C31H44ClN3O2S/c1-2-3-4-5-6-7-8-14-31(36)37-24-23-34-21-19-33(20-22-34)17-11-18-35-27-12-9-10-13-29(27)38-30-16-15-26(32)25-28(30)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3


name: CHEMBL328379
cas: 611207-11-5
dtxsid: DTXSID20436100
formula: C20H20Cl3N3
inchikey: USJFDADYVUDVAX-UHFFFAOYSA-N
norman_susdat_id: NS00067985
smiles: CCCCCCC1=NN(C(=N1)C1=CC=C(Cl)C=C1)C1=C(Cl)C=C(Cl)C=C1
inchi:
InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3


name: N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
cas: 611239-38-4
dtxsid: DTXSID60332258
formula: C14H13N5O
inchikey: ZCRPPLDDHBLUES-UHFFFAOYSA-N
norman_susdat_id: NS00068930
pubchem_cid: 447652
smiles: CC(=O)Nc1nccc(-c2c(C)nc3ccccn23)n1
inchi:
InChI=1S/C14H13N5O/c1-9-13(19-8-4-3-5-12(19)16-9)11-6-7-15-14(18-11)17-10(2)20/h3-8H,1-2H3,(H,15,17,18,20)


name: [2-(diphenylacetoxy)ethyl]diethylmethylammonium bromide
cas: 6113-04-8
dtxsid: DTXSID10976646
formula: C21H28NO2
inchikey: WMUOPJLADBOCIX-UHFFFAOYSA-M
norman_susdat_id: NS00046005
pubchem_cid: 197841
smiles: [Br-].O=C(OCC[N+](C)(CC)CC)C(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1


name: 5,10,15,20-Tetraoxatetracosane-1,24-diol
cas: 61136-08-1
chemspiderid: 9409362
dtxsid: DTXSID60459656
formula: C20H42O6
inchikey: PRXLONJYBZDUFU-UHFFFAOYSA-N
norman_susdat_id: NS00017720
pubchem_cid: 11234315
smiles: C(CCOCCCCOCCCCOCCCCOCCCCO)CO
inchi:
InChI=1S/C20H42O6/c21-11-1-3-13-23-15-5-7-17-25-19-9-10-20-26-18-8-6-16-24-14-4-2-12-22/h21-22H,1-20H2


cas: 61138-44-1
chemspiderid: 2285007
dtxsid: DTXSID10210032
formula: C34H47Cl3N4O4S1
inchikey: JDMRZQRJEQUNHK-UHFFFAOYSA-N
norman_susdat_id: NS00034583
pubchem_cid: 3017234
smiles: CCCCCCCCCCCCCCCCN(C)C(=O)c1cc(NC2=NN(C(=O)C2)c2c(Cl)cc(cc2Cl)S(=O)(=O)C)c(Cl)cc1
name:
4-Chloro-3-((1-(2,6-dichloro-4-(methylsulphonyl)phenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)amino)-N-hexadecyl-N-methylbenzamide

inchi:
InChI=1S/C34H47Cl3N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40(2)34(43)25-18-19-27(35)30(21-25)38-31-24-32(42)41(39-31)33-28(36)22-26(23-29(33)37)46(3,44)45/h18-19,21-23H,4-17,20,24H2,1-3H3,(H,38,39)


name: 2-[2-(diethylamino)ethoxy]ethyl 2-(4-isobutylphenyl)butyrate
cas: 61147-38-4
formula: C22H37NO3
inchikey: IWCUIKPFNBGDGZ-UHFFFAOYSA-N
norman_susdat_id: NS00086433
smiles: CCC(C(=O)OCCOCCN(CC)CC)c1ccc(CC(C)C)cc1
inchi:
InChI=1/C22H37NO3/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3/h9-12,18,21H,6-8,13-17H2,1-5H3


name: Diethyl[2-[2-[2-(4-isobutylphenyl)butyroyloxy]ethoxy]ethyl]ammonium dihydrogen citrate
cas: 61147-39-5
dtxsid: DTXSID90976664
formula: C22H37NO3
inchikey: ZWPGGYYOFUXODN-UHFFFAOYSA-L
norman_susdat_id: NS00053292
pubchem_cid: 3017235
smiles: O=C([O-])CC(O)(C(=O)[O-])CC(=O)[O-].O=C(OCCOCC[NH+](CC)CC)C(C1=CC=C(C=C1)CC(C)C)CC
inchi:
InChI=1/C22H37NO3.C6H8O7/c1-6-21(20-11-9-19(10-12-20)17-18(4)5)22(24)26-16-15-25-14-13-23(7-2)8-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-12,18,21H,6-8,13-17H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-4-methylphenyl prop-2-enoate
cas: 61167-58-6
chemspiderid: 98069
dtxsid: DTXSID7052282
formula: C26H34O3
inchikey: IORUEKDKNHHQAL-UHFFFAOYSA-N
norman_susdat_id: NS00020214
pubchem_cid: 109058
smiles: Cc1cc(c(OC(=O)C=C)c(Cc2c(O)c(cc(C)c2)C(C)(C)C)c1)C(C)(C)C
inchi:
InChI=1S/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3


name: 5-oxo-L-proline, compound with methyl N-lauroyl-L-argininate (1:1)
cas: 61167-62-2
formula: C19H38N4O3
inchikey: DNJMIOMRJFMJFG-IOIXYPRTSA-N
norman_susdat_id: NS00053380
pubchem_cid: 6454140
smiles: O=C(NC(C(=O)OC)CCCNC(=N)N)CCCCCCCCCCC.O=C1NC(C(=O)O)CC1
inchi:
InChI=1/C19H38N4O3.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-14-17(24)23-16(18(25)26-2)13-12-15-22-19(20)21;7-4-2-1-3(6-4)5(8)9/h16H,3-15H2,1-2H3,(H,23,24)(H4,20,21,22);3H,1-2H2,(H,6,7)(H,8,9)


name: Eth 227
cas: 61183-76-4
chemspiderid: 151673
dtxsid: DTXSID30210074
formula: C36H71N3O6
inchikey: PMECOBBGCPFYPP-UHFFFAOYSA-N
norman_susdat_id: NS00034591
pubchem_cid: 173784
smiles: CCCCCCCN(C)C(=O)COCC(CC)(COCC(=O)N(C)CCCCCCC)COCC(=O)N(C)CCCCCCC
inchi:
InChI=1S/C36H71N3O6/c1-8-12-15-18-21-24-37(5)33(40)27-43-30-36(11-4,31-44-28-34(41)38(6)25-22-19-16-13-9-2)32-45-29-35(42)39(7)26-23-20-17-14-10-3/h8-32H2,1-7H3


name: 4-(p-chlorobenzyl)-6,7-dimethoxyisoquinolinium methanesulphonate
cas: 61189-88-6
formula: C18H16ClNO2
inchikey: XQCSXUJTPZFYTN-UHFFFAOYSA-N
norman_susdat_id: NS00053425
pubchem_cid: 36271
smiles: O=S(=O)([O-])C.ClC1=CC=C(C=C1)CC=2C=[NH+]C=C3C=C(OC)C(OC)=CC32
inchi:
InChI=1/C18H16ClNO2.CH4O3S/c1-21-17-8-14-11-20-10-13(16(14)9-18(17)22-2)7-12-3-5-15(19)6-4-12;1-5(2,3)4/h3-6,8-11H,7H2,1-2H3;1H3,(H,2,3,4)


name: Quinine phosphinate
cas: 6119-53-5
formula: C20H24N2O2.H3O2P
inchikey: JWAMXEJYDDQVAR-DSXUQNDKSA-N
norman_susdat_id: NS00081778
smiles: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OP=O
inchi:
InChI=1/C20H24N2O2.HO2P/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-3-2/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,1,2)


name: 2-(1-Methylheptyl)-4,6-dinitrophenyl crotonate (Dinocap)
cas: 6119-92-2
chemspiderid: 21101
dtxsid: DTXSID7021732
formula: C18H24N2O6
inchikey: NIOPZPCMRQGZCE-UHFFFAOYSA-N
norman_susdat_id: NS00098681
pubchem_cid: 22498
smiles: CCCCCCC(C)c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3


name: Loprazolam
cas: 61197-73-7
chebiid: CHEBI:135754
chemspiderid: 2298440
formula: C23H21Cl1N6O3
inchikey: UTEFBSAVJNEPTR-RGEXLXHISA-N
norman_susdat_id: NS00015441
pubchem_cid: 3033860
smiles: CN1CCN(CC1)C=C2C(=O)N3C(=N2)CN=C(C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl
inchi:
InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14-


name: 2-((2-Aminobenzoyl)amino)benzoic acid
cas: 612-34-0
chemspiderid: 62373
dtxsid: DTXSID60210103
formula: C14H12N2O3
inchikey: FECNOIODIVNEKI-UHFFFAOYSA-N
norman_susdat_id: NS00034613
pubchem_cid: 69158
smiles: Nc1c(cccc1)C(=O)Nc1c(cccc1)C(=O)O
inchi:
InChI=1S/C14H12N2O3/c15-11-7-3-1-5-9(11)13(17)16-12-8-4-2-6-10(12)14(18)19/h1-8H,15H2,(H,16,17)(H,18,19)


name: trans-4-(4-butylcyclohexyl)benzonitrile
cas: 61204-00-0
dtxsid: DTXSID40886421
formula: C17H23N
inchikey: YYAVXASAKUOZJJ-UHFFFAOYSA-N
norman_susdat_id: NS00054194
pubchem_cid: 109062
smiles: N#CC1=CC=C(C=C1)C2CCC(CCCC)CC2
inchi:
InChI=1/C17H23N/c1-2-3-4-14-5-9-16(10-6-14)17-11-7-15(13-18)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3


name: trans-4-(4-pentylcyclohexyl)benzonitrile
cas: 61204-01-1
dtxsid: DTXSID00886422
formula: C18H25N
inchikey: FURZYCFZFBYJBT-UHFFFAOYSA-N
norman_susdat_id: NS00053367
pubchem_cid: 109063
smiles: N#CC1=CC=C(C=C1)C2CCC(CCCCC)CC2
inchi:
InChI=1/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3


name: trans-4-(4-hexylcyclohexyl)benzonitrile
cas: 61204-02-2
dtxsid: DTXSID80976719
formula: C19H27N
inchikey: YEPXKTSYILRSQX-UHFFFAOYSA-N
norman_susdat_id: NS00053368
pubchem_cid: 3017240
smiles: N#CC1=CC=C(C=C1)C2CCC(CCCCCC)CC2
inchi:
InChI=1/C19H27N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h9-10,13-14,16,18H,2-8,11-12H2,1H3


name: trans-4-(4-heptylcyclohexyl)benzonitrile
cas: 61204-03-3
dtxsid: DTXSID60886423
formula: C20H29N
inchikey: NSGMZTNTQKRAFA-UHFFFAOYSA-N
norman_susdat_id: NS00053426
pubchem_cid: 109064
smiles: N#CC1=CC=C(C=C1)C2CCC(CCCCCCC)CC2
inchi:
InChI=1/C20H29N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h10-11,14-15,17,19H,2-9,12-13H2,1H3


name: Sodium 1,4-bis(trimethylhexyl) sulphonatosuccinate
cas: 61211-10-7
dtxsid: DTXSID10976722
formula: C22H42O7S
inchikey: OKDUCDYDOORLLB-UHFFFAOYSA-M
norman_susdat_id: NS00053427
pubchem_cid: 3017243
smiles: [Na+].O=C(OC(C)(C)C(C)CCCC)CC(C(=O)OC(C)(C)C(C)CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O7S.Na/c1-9-11-13-16(3)21(5,6)28-19(23)15-18(30(25,26)27)20(24)29-22(7,8)17(4)14-12-10-2;/h16-18H,9-15H2,1-8H3,(H,25,26,27);/q;+1/p-1


name: Methyltris(phenylmethoxy)silane
cas: 61214-13-9
dtxsid: DTXSID10210133
formula: C22H24O3Si
inchikey: GEIHDEVWPDTQIM-UHFFFAOYSA-N
norman_susdat_id: NS00052894
pubchem_cid: 3017245
smiles: O(CC=1C=CC=CC1)[Si](OCC=2C=CC=CC2)(OCC=3C=CC=CC3)C
inchi:
InChI=1/C22H24O3Si/c1-26(23-17-20-11-5-2-6-12-20,24-18-21-13-7-3-8-14-21)25-19-22-15-9-4-10-16-22/h2-16H,17-19H2,1H3


name: Pentadecylbenzenesulphonic acid
cas: 61215-89-2
formula: C21H36O3S
inchikey: CRHCYVFWHKGDMU-UHFFFAOYSA-N
norman_susdat_id: NS00087155
smiles: CCCCCCCCCCc1c(CCCCCCCCCC)c(CCCCCCCCCC)c(c(CCCCCCCCCC)c1CCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C56H106O3S/c1-6-11-16-21-26-31-36-41-46-51-52(47-42-37-32-27-22-17-12-7-2)54(49-44-39-34-29-24-19-14-9-4)56(60(57,58)59)55(50-45-40-35-30-25-20-15-10-5)53(51)48-43-38-33-28-23-18-13-8-3/h6-50H2,1-5H3,(H,57,58,59)


cas: 61241-05-2
dtxsid: DTXSID00886427
formula: C37H72O6S3Sn
inchikey: WMEIKWMPSNOSKG-UHFFFAOYSA-K
norman_susdat_id: NS00052896
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CCS[Sn](SCCC(=O)OCC(CC)CCCC)(SCCC(=O)OCC(CC)CCCC)CCCC
name:
2-ethylhexyl 5-butyl-12-ethyl-5-[[3-[(2-ethylhexyl)oxy]-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate

inchi:
InChI=1/3C11H22O2S.C4H9.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC37H72O6S3Sn/c1-8-15-19-32(12-5)29-41-35(38)22-25-44-47(28-18-11-4,45-26-23-36(39)42-30-33(13-6)20-16-9-2)46-27-24-37(40)43-31-34(14-7)21-17-10-3/h32-34H,8-31H2,1-7H3


name: 8-Bromo-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
cas: 612526-40-6
chemspiderid: 10684757
dtxsid: DTXSID40620266
formula: C17H12Br1F1N4
inchikey: VXGSZBZQCBNUIP-UHFFFAOYSA-N
norman_susdat_id: NS00017379
pubchem_cid: 21930924
smiles: CC1=NN=C2N1C3=C(C=C(C=C3)Br)C(=NC2)C4=CC=CC=C4F
inchi:
InChI=1S/C17H12BrFN4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3


cas: 612547-11-2
formula: C33H44N4O6S
inchikey: QAHLFXYLXBBCPS-IZEXYCQBSA-N
norman_susdat_id: NS00069581
pubchem_cid: 513956
smiles: COC(=O)N[C@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(c1ccccc1)c1ccccc1
name:
Methyl n-[1-({6-hydroxy-5-[n-(2-methylpropyl)4-aminobenzenesulfonamido]hexyl}carbamoyl)-2,2-diphenylethyl]carbamate

inchi:
InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28-,31-/m0/s1


name: Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-
cas: 61257-43-0
chemspiderid: 97596
dtxsid: DTXSID5069461
formula: C23H17N1O3
inchikey: FFTHGPXRVMFOIC-UHFFFAOYSA-N
norman_susdat_id: NS00034621
pubchem_cid: 108541
smiles: Cc1cc2c(oc(n2)c2ccc(/C=C/c3ccc(cc3)C(=O)O)cc2)cc1
inchi:
InChI=1S/C23H17NO3/c1-15-2-13-21-20(14-15)24-22(27-21)18-9-5-16(6-10-18)3-4-17-7-11-19(12-8-17)23(25)26/h2-14H,1H3,(H,25,26)/b4-3+


name: (2R,3R,4S,5R)-2-(acetoxymethyl)-6-oxotetrahydro-2H-pyran-3,4,5-triyl triacetate
cas: 61259-48-1
chemspiderid: 9188600
formula: C14H18O10
inchikey: BWFISYIJSZXAOV-UHFFFAOYSA-N
norman_susdat_id: NS00008065
pubchem_cid: NA
smiles: CC(=O)OCC1OC(=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
inchi:
InChI=1S/C14H18O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-13H,5H2,1-4H3


name: N,N'-Bis(2,2,6,6-tetramethyl-4-piperidyl)ethylenediamine
cas: 61260-54-6
chemspiderid: 2285022
dtxsid: DTXSID00210162
formula: C20H42N4
inchikey: OFXVCLLHEWMVEQ-UHFFFAOYSA-N
norman_susdat_id: NS00034625
pubchem_cid: 3017249
smiles: CC1(C)CC(CC(C)(C)N1)NCCNC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C20H42N4/c1-17(2)11-15(12-18(3,4)23-17)21-9-10-22-16-13-19(5,6)24-20(7,8)14-16/h15-16,21-24H,9-14H2,1-8H3


name: 1,6-Bis(2,2,6,6-tetramethyl-4-piperidylamino)hexane
cas: 61260-55-7
chemspiderid: 84324
dtxsid: DTXSID8028050
formula: C24H50N4
inchikey: UKJARPDLRWBRAX-UHFFFAOYSA-N
norman_susdat_id: NS00007189
pubchem_cid: 93419
smiles: CC1(C)CC(CC(C)(C)N1)NCCCCCCNC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C24H50N4/c1-21(2)15-19(16-22(3,4)27-21)25-13-11-9-10-12-14-26-20-17-23(5,6)28-24(7,8)18-20/h19-20,25-28H,9-18H2,1-8H3


name: Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,3,4,5,6-pentabromo-
cas: 61262-53-1
chemspiderid: 82781
dtxsid: DTXSID60886428
formula: C14H4Br10O2
inchikey: JJEPQBZQAGCZTH-UHFFFAOYSA-N
norman_susdat_id: NS00009675
pubchem_cid: 91678
smiles: Brc1c(Br)c(Br)c(OCCOc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br
inchi:
InChI=1S/C14H4Br10O2/c15-3-5(17)9(21)13(10(22)6(3)18)25-1-2-26-14-11(23)7(19)4(16)8(20)12(14)24/h1-2H2


cas: 61270-71-1
formula: C10H12N6O6S3
inchikey: ATMROFNURATUIQ-XNCJUZBTSA-N
norman_susdat_id: NS00087156
smiles: N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3CS(=O)(=O)O
name:
(6R-trans)-7-amino-8-oxo-3-[[[1-(sulphomethyl)-1H-tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C10H12N6O6S3/c11-5-7(17)16-6(9(18)19)4(1-23-8(5)16)2-24-10-12-13-14-15(10)3-25(20,21)22/h5,8H,1-3,11H2,(H,18,19)(H,20,21,22)


name: Cefonicid
cas: 61270-78-8
chebiid: CHEBI:3491
chemspiderid: 39734
formula: C18H18N6O8S3
inchikey: DYAIAHUQIPBDIP-AXAPSJFSSA-N
norman_susdat_id: NS00011568
pubchem_cid: 43594
smiles: c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nnnn4CS(=O)(=O)O)C(=O)O)O
inchi:
InChI=1S/C18H18N6O8S3/c25-13(9-4-2-1-3-5-9)14(26)19-11-15(27)24-12(17(28)29)10(6-33-16(11)24)7-34-18-20-21-22-23(18)8-35(30,31)32/h1-5,11,13,16,25H,6-8H2,(H,19,26)(H,28,29)(H,30,31,32)/t11-,13-,16-/m1/s1


name: 1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridinium hydrogen oxalate
cas: 61273-95-8
formula: C22H27NO.xC2H2O4
inchikey: VCMIRIQOAQFPDB-UHFFFAOYSA-M
norman_susdat_id: NS00086420
smiles: COc1ccc(CC2[NH+](Cc3ccccc3)CCC(=C2C)C)cc1.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C22H27NO.C2H2O4/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19;3-1(4)2(5)6/h4-12,22H,13-16H2,1-3H3;(H,3,4)(H,5,6)/p-1


name: Verbascoside
cas: 61276-17-3
chebiid: CHEBI:132853
formula: C29H36O15
inchikey: FBSKJMQYURKNSU-ZLSOWSIRSA-N
norman_susdat_id: NS00070422
pubchem_cid: 5281800
inchi:
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O


name: Lithium 3-[[4-[[4-(2-hydroxybutoxy)phenyl]azo]-5-methoxy-2-methylphenyl]azo]benzenesulphonate
cas: 61290-31-1
dtxsid: DTXSID50886432
formula: C24H26N4O6S
inchikey: BINUNLRKNMJFHG-UHFFFAOYSA-M
norman_susdat_id: NS00053416
pubchem_cid: 108543
smiles: [Li+].O=S(=O)([O-])C=1C=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(OCC(O)CC)C=C3)=CC2C)C1
inchi:
InChI=1/C24H26N4O6S.Li/c1-4-19(29)15-34-20-10-8-17(9-11-20)25-28-23-12-16(2)22(14-24(23)33-3)27-26-18-6-5-7-21(13-18)35(30,31)32;/h5-14,19,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1


name: N,N'-Diacetylbenzidine
cas: 613-35-4
chebiid: CHEBI:82308
chemspiderid: 11448
dtxsid: DTXSID9036854
formula: C16H16N2O2
inchikey: CZVHCFKUXGRABC-UHFFFAOYSA-N
norman_susdat_id: NS00034647
pubchem_cid: 11942
smiles: CC(=O)Nc1ccc(cc1)c1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C16H16N2O2/c1-11(19)17-15-7-3-13(4-8-15)14-5-9-16(10-6-14)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)


name: 4-(ethylamino)-m-toluenediazonium trichlorozincate
cas: 6130-01-4
dtxsid: DTXSID60884227
formula: C9H12N3
inchikey: RIASYEHFQRZFMC-UHFFFAOYSA-K
norman_susdat_id: NS00045538
pubchem_cid: NA
smiles: N#[N+]C1=CC(=CC=C1NCC)C.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C9H12N3.3ClH.Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;;;;/h4-6,11H,3H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC9H12N3.Cl3Zn/c1-3-11-8-5-4-7(2)6-9(8)12-10;1-4(2)3/h4-6,11H,3H2,1-2H3;/q+1;-1


name: Penicillin G procaine [USP]
cas: 6130-64-9
dtxsid: DTXSID40210207
formula: C29H40N4O7S
inchikey: KZDCMKVLEYCGQX-UDPGNSCCSA-N
norman_susdat_id: NS00076294
smiles: O.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.CC1(C)S[C@@H]2[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1


name: Isoacetoside
cas: 61303-13-7
chemspiderid: 6476333
formula: C29H36O15
inchikey: FNMHEHXNBNCPCI-QEOJJFGVSA-N
norman_susdat_id: NS00094507
pubchem_cid: 4977818
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O


name: 1,6-Bis-[(2,2-dimethyl-3-lauroyloxy-propylidene)-amino]hexane
cas: 613222-52-9
chemspiderid: NA
dtxsid: DTXSID50893540
formula: C40H76N2O4
inchikey: VSXDJUKBLDLTTB-UHFFFAOYSA-N
norman_susdat_id: NS00009388
pubchem_cid: 89999103
smiles: CCCCCCCCCCCC(=O)OCC(C)(C)C=NCCCCCCN=CC(C)(C)COC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C40H76N2O4/c1-7-9-11-13-15-17-19-21-25-29-37(43)45-35-39(3,4)33-41-31-27-23-24-28-32-42-34-40(5,6)36-46-38(44)30-26-22-20-18-16-14-12-10-8-2/h33-34H,7-32,35-36H2,1-6H3


name: 4-({[(2-chloro-4,5-difluorophenyl)formamido]carbonyl}amino)-3-(trifluoromethoxy)benzoic acid
cas: 613260-13-2
formula: C16H8ClF5N2O5
inchikey: NWQGDIBCFLDHDO-UHFFFAOYSA-N
norman_susdat_id: NS00069312
pubchem_cid: 16070039
smiles: O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1ccc(C(=O)O)cc1OC(F)(F)F
inchi:
InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28)


name: Mirtazapine
cas: 61337-67-5
chebiid: CHEBI:6950
chemspiderid: 4060
dtxsid: DTXSID0023325
formula: C17H19N3
inchikey: RONZAEMNMFQXRA-UHFFFAOYSA-N
norman_susdat_id: NS00009441
pubchem_cid: 4205
smiles: CN1CCN2C(C1)c1ccccc1Cc1cccnc21
inchi:
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3


name: (S)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine
cas: 61337-87-9
formula: C17H19N3
inchikey: RONZAEMNMFQXRA-MRXNPFEDSA-N
norman_susdat_id: NS00087199
smiles: CN1CCN2[C@H](C1)c3ccccc3Cc4cccnc24
inchi:
InChI=1/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3


name: 1-[3-(Hydroxymethyl)pyridin-2-yl)-4-methyl-2-phenylpiperazine
cas: 61337-89-1
chemspiderid: 8396927
formula: C17H21N3O1
inchikey: PYZPABZGIRHQTA-UHFFFAOYSA-N
norman_susdat_id: NS00009962
pubchem_cid: 10221435
smiles: CN1CCN(C(C1)c1ccccc1)c1ncccc1CO
inchi:
InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3


name: 17-bromo-9-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 61339-35-3
dtxsid: DTXSID90976846
formula: C24H30BrFO5
inchikey: WZVHJVJHMIMYHS-RPRRAYFGSA-N
norman_susdat_id: NS00052968
pubchem_cid: 22798239
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C24H30BrFO5/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)24(17,26)19(29)11-22(18,4)23(13,25)20(30)12-31-14(2)27/h7-8,10,13,17-19,29H,5-6,9,11-12H2,1-4H3


name: 17-bromo-9-fluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 61339-36-4
dtxsid: DTXSID50976847
formula: C22H28BrFO4
inchikey: LLWCKVNBDQSREZ-CXSFZGCWSA-N
norman_susdat_id: NS00054267
pubchem_cid: 22798240
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)CO)C4(C)CC(O)C32F)C
inchi:
InChI=1/C22H28BrFO4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)22(15,24)17(27)10-20(16,3)21(12,23)18(28)11-25/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3


name: 17-bromo-6ß,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 61339-37-5
dtxsid: DTXSID10976848
formula: C22H27BrF2O4
inchikey: VTFJMRXTPUUIRK-QODHSQIYSA-N
norman_susdat_id: NS00053418
pubchem_cid: 22798235
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(Br)(C(=O)CO)C4(C)CC(O)C32F)C
inchi:
InChI=1/C22H27BrF2O4/c1-11-6-13-14-8-16(24)15-7-12(27)4-5-19(15,2)22(14,25)17(28)9-20(13,3)21(11,23)18(29)10-26/h4-5,7,11,13-14,16-17,26,28H,6,8-10H2,1-3H3


name: 17-bromo-6ß,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 61339-38-6
dtxsid: DTXSID70976849
formula: C24H29BrF2O5
inchikey: XHSXHDWPLGGYKW-VRCYOTQUSA-N
norman_susdat_id: NS00052969
pubchem_cid: 22798234
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(Br)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C24H29BrF2O5/c1-12-7-15-16-9-18(26)17-8-14(29)5-6-21(17,3)24(16,27)19(30)10-22(15,4)23(12,25)20(31)11-32-13(2)28/h5-6,8,12,15-16,18-19,30H,7,9-11H2,1-4H3


name: 20,21-dihydroxy-16a-methylpregna-1,4,9(11),17(20)-tetraen-3-one 20,21-di(acetate)
cas: 61339-39-7
formula: C26H32O5
inchikey: SVJQVOVYCQLQQV-SUXGMLIISA-N
norman_susdat_id: NS00053431
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C2=CCC4(C(=C(OC(=O)C)COC(=O)C)C(C)CC34)C)C
inchi:
InChI=1/C26H32O5/c1-15-12-22-20-7-6-18-13-19(29)8-10-25(18,4)21(20)9-11-26(22,5)24(15)23(31-17(3)28)14-30-16(2)27/h8-10,13,15,20,22H,6-7,11-12,14H2,1-5H3


name: 9,17-dibromo-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 61339-40-0
dtxsid: DTXSID80976850
formula: C24H30Br2O5
inchikey: ONLDLCRQNRBPRP-RPRRAYFGSA-N
norman_susdat_id: NS00052967
pubchem_cid: 22798237
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)COC(=O)C)C4(C)CC(O)C32Br)C
inchi:
InChI=1/C24H30Br2O5/c1-13-9-18-17-6-5-15-10-16(28)7-8-21(15,3)24(17,26)19(29)11-22(18,4)23(13,25)20(30)12-31-14(2)27/h7-8,10,13,17-19,29H,5-6,9,11-12H2,1-4H3


name: 17-bromo-9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 61339-41-1
dtxsid: DTXSID40976851
formula: C24H29BrO5
inchikey: PYWORDXOTRDYQA-WMHQAVGRSA-N
norman_susdat_id: NS00053935
pubchem_cid: 20841901
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)COC(=O)C)C4(C)CC5OC532)C
inchi:
InChI=1/C24H29BrO5/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,25)19(28)12-29-14(2)26/h7-8,10,13,17-18,20H,5-6,9,11-12H2,1-4H3


name: 9,17-dibromo-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 61339-42-2
dtxsid: DTXSID00976852
formula: C22H28Br2O4
inchikey: ABWOTFZUTTYNAA-CXSFZGCWSA-N
norman_susdat_id: NS00053076
pubchem_cid: 22798238
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)CO)C4(C)CC(O)C32Br)C
inchi:
InChI=1/C22H28Br2O4/c1-12-8-16-15-5-4-13-9-14(26)6-7-19(13,2)22(15,24)17(27)10-20(16,3)21(12,23)18(28)11-25/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3


name: 17-bromo-9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 61339-43-3
dtxsid: DTXSID60976853
formula: C22H27BrO4
inchikey: HEKUKYICGJFGFQ-QDBZYVRYSA-N
norman_susdat_id: NS00053077
pubchem_cid: 22798241
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(Br)(C(=O)CO)C4(C)CC5OC532)C
inchi:
InChI=1/C22H27BrO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,23)17(26)11-24/h6-7,9,12,15-16,18,24H,4-5,8,10-11H2,1-3H3


name: 17-bromo-9ß,11ß-epoxy-6ß-fluoro-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 61339-44-4
dtxsid: DTXSID20976854
formula: C22H26BrFO4
inchikey: AHRBEUCKLPVLDF-JPEOZNMXSA-N
norman_susdat_id: NS00053095
pubchem_cid: 22798236
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(Br)(C(=O)CO)C4(C)CC5OC532)C
inchi:
InChI=1/C22H26BrFO4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,23)17(27)10-25/h4-5,7,11,13-14,16,18,25H,6,8-10H2,1-3H3


name: 6-tridecyl-1,3,5-triazine-2,4-diamine
cas: 6134-02-7
dtxsid: DTXSID80976855
formula: C16H31N5
inchikey: IHZNXUFURDYYKI-UHFFFAOYSA-N
norman_susdat_id: NS00045539
pubchem_cid: 80216
smiles: N=1C(=NC(=NC1N)CCCCCCCCCCCCC)N
inchi:
InChI=1/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15(17)21-16(18)20-14/h2-13H2,1H3,(H4,17,18,19,20,21)


name: 2-[2,4-Dinitrophenylmethylene]-1-ethyl-1,2-dihydroquinoline
cas: 61354-93-6
chemspiderid: 97604
dtxsid: DTXSID5069465
formula: C18H15N3O4
inchikey: XATSRGCAHHALNI-UHFFFAOYSA-N
norman_susdat_id: NS00034655
pubchem_cid: 108549
smiles: CCn1/c(=C/c2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])/ccc2c1cccc2
inchi:
InChI=1S/C18H15N3O4/c1-2-19-15(9-7-13-5-3-4-6-17(13)19)11-14-8-10-16(20(22)23)12-18(14)21(24)25/h3-12H,2H2,1H3/b15-11+


cas: 61354-99-2
dtxsid: DTXSID50866850
formula: C39H48Cl4N4O4
inchikey: JQADLJKVUIDLRH-UHFFFAOYSA-N
norman_susdat_id: NS00052599
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C(=C1)NC2=NN(C(=O)C2)C=3C(Cl)=CC(Cl)=CC3Cl)C(OC4=CC=C(O)C(=C4)C(C)(C)C)CCCCCCCCCCCC
name:
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide

inchi:
InChI=1/C39H48Cl4N4O4/c1-5-6-7-8-9-10-11-12-13-14-15-34(51-27-17-19-33(48)28(23-27)39(2,3)4)38(50)44-26-16-18-29(41)32(22-26)45-35-24-36(49)47(46-35)37-30(42)20-25(40)21-31(37)43/h16-23,34,48H,5-15,24H2,1-4H3,(H,44,50)(H,45,46)


cas: 61355-92-8
chemspiderid: 21161912
dtxsid: DTXSID0069466
formula: C22H25N5O7
inchikey: BYMNHMLASYXHRV-UHFFFAOYSA-N
norman_susdat_id: NS00021248
pubchem_cid: 109075
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)c(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
name:
.beta.-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

inchi:
InChI=1S/C22H25N5O7/c1-15(28)23-20-14-18(26(12-10-21(29)33-2)13-11-22(30)34-3)8-9-19(20)25-24-16-4-6-17(7-5-16)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)/b25-24+


name: C14:0 phosphatidylglycerol
cas: 61361-72-6
chebiid: CHEBI:60723
dtxsid: DTXSID80976890
formula: C34H67O10P
inchikey: BPHQZTVXXXJVHI-AJQTZOPKSA-N
norman_susdat_id: NS00073049
pubchem_cid: 3246995
smiles: CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)/t31-,32+/m0/s1


name: 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate
cas: 61361-83-9
chemspiderid: 4956506
dtxsid: DTXSID20210280
formula: C25H48O6
inchikey: IFHCVUJSBCYBGF-UHFFFAOYSA-N
norman_susdat_id: NS00034656
pubchem_cid: 6454170
smiles: CCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCC
inchi:
InChI=1S/C25H48O6/c1-3-5-7-9-11-13-15-17-23(28)30-21-25(19-26,20-27)22-31-24(29)18-16-14-12-10-8-6-4-2/h26-27H,3-22H2,1-2H3


name: Formic acid, compound with N,N'-(iminodiethylene)bis[stearamide] (1:1)
cas: 61370-09-0
formula: C40H81N3O2.CH2O2
inchikey: VBKCOYHBITZRRJ-UHFFFAOYSA-N
norman_susdat_id: NS00085917
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O
inchi:
InChI=1/C40H81N3O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42-37-35-41-36-38-43-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h41H,3-38H2,1-2H3,(H,42,44)(H,43,45);1H,(H,2,3)


name: Dibehenyl methylamine
cas: 61372-91-6
chemspiderid: 2285025
dtxsid: DTXSID30210296
formula: C45H93N1
inchikey: PORMVGDBMPISFU-UHFFFAOYSA-N
norman_susdat_id: NS00013563
pubchem_cid: 3017254
smiles: CCCCCCCCCCCCCCCCCCCCCCN(C)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C45H93N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-46(3)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-45H2,1-3H3


name: Rifapentine
cas: 61379-65-5
chebiid: CHEBI:45304
chemspiderid: 10482075
dtxsid: DTXSID8041115
formula: C47H64N4O12
inchikey: WDZCUPBHRAEYDL-GZAUEHORSA-N
norman_susdat_id: NS00011699
pubchem_cid: NA
inchi:
InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1

smiles:
C[C@H]1/C=C/C=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C6CCCC6)/C


name: 1-benzyl-4-(phenylamino)piperidine-4-carboxylic acid dihydrochloride
cas: 61379-86-0
formula: C19H22N2O2.2ClH
inchikey: QNDVTIFLVWHAJR-UHFFFAOYSA-N
norman_susdat_id: NS00086222
smiles: Cl.Cl.OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc3ccccc3
inchi:
InChI=1/C19H22N2O2.2ClH/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16;;/h1-10,20H,11-15H2,(H,22,23);2*1H


name: O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine hydrochloride
cas: 6138-47-2
formula: C15H12I3NO4.ClH
inchikey: HFEMPWKWYHWPQX-YDALLXLXSA-N
norman_susdat_id: NS00081560
smiles: Cl.N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
inchi:
InChI=1/C15H12I3NO4.ClH/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);1H


name: Tripelennamine citrate
cas: 6138-56-3
formula: C16H21N3.C6H8O7
inchikey: GGRBYIUPUOYRLQ-UHFFFAOYSA-N
norman_susdat_id: NS00081530
smiles: CN(C)CCN(Cc1ccccc1)c2ccccn2.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Triprolidine hydrochloride monohydrate
cas: 6138-79-0
chebiid: CHEBI:32265
dtxsid: DTXSID0021410
formula: C19H25ClN2O
inchikey: CUZMOIXUFHOLLN-UMVVUDSKSA-N
norman_susdat_id: NS00076143
smiles: O.Cl.CC1=CC=C(C=C1)C(=C/CN1CCCC1)C1=CC=CC=N1
inchi:
InChI=1S/C19H22N2.ClH.H2O/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21;;/h2-3,6-12H,4-5,13-15H2,1H3;1H;1H2/b18-11+;;


name: 1-Benzyl-4-(methoxymethyl)-N-phenylpiperidin-4-amine
cas: 61380-02-7
chemspiderid: 2310057
dtxsid: DTXSID20210301
formula: C20H26N2O1
inchikey: QBUUEBUUMUYSIY-UHFFFAOYSA-N
norman_susdat_id: NS00034665
pubchem_cid: 3047724
smiles: COCC1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
inchi:
InChI=1S/C20H26N2O/c1-23-17-20(21-19-10-6-3-7-11-19)12-14-22(15-13-20)16-18-8-4-2-5-9-18/h2-11,21H,12-17H2,1H3


name: 4-(methoxycarbonyl)-1-phenethyl-4-(N-phenylpropionylamino)piperidinium dihydrogen citrate
cas: 61380-27-6
dtxsid: DTXSID50976923
formula: C24H30N2O3
inchikey: KRDCVSCBLNSYGA-UHFFFAOYSA-L
norman_susdat_id: NS00053976
pubchem_cid: NA
smiles: O=C([O-])CC(O)(C(=O)[O-])CC(=O)[O-].O=C(OC)C1(NC(=O)C(C=2C=CC=CC2)C)CC[NH+](CCC=3C=CC=CC3)CC1
inchi:
InChI=1/C24H30N2O3.C6H8O7/c1-19(21-11-7-4-8-12-21)22(27)25-24(23(28)29-2)14-17-26(18-15-24)16-13-20-9-5-3-6-10-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,19H,13-18H2,1-2H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: Methyl cis-(+)-3-methyl-1-phenethyl-4-(phenylamino)piperidine-4-carboxylate
cas: 61380-35-6
chemspiderid: 2310055
dtxsid: DTXSID40210303
formula: C22H28N2O2
inchikey: ULCFSXQHBSJRKV-AVRDEDQJSA-N
norman_susdat_id: NS00034667
pubchem_cid: 3047721
smiles: COC(=O)[C@@]1(CCN(CCc2ccccc2)C[C@@H]1C)Nc1ccccc1
inchi:
InChI=1S/C22H28N2O2/c1-18-17-24(15-13-19-9-5-3-6-10-19)16-14-22(18,21(25)26-2)23-20-11-7-4-8-12-20/h3-12,18,23H,13-17H2,1-2H3/t18-,22-/m0/s1


name: Lofentanil
cas: 61380-40-3
dtxsid: DTXSID10866851
formula: C25H32N2O3
inchikey: IMYHGORQCPYVBZ-NLFFAJNJSA-N
norman_susdat_id: NS00069854
pubchem_cid: 10070040
smiles: CCC(=O)N(c1ccccc1)[C@@]1(C(=O)OC)CCN(CCc2ccccc2)C[C@H]1C
inchi:
InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m1/s1


cas: 61380-41-4
dtxsid: DTXSID10976924
formula: C25H32N2O3
inchikey: WRKYXMMMGHAHDH-FQUYXRHLSA-M
norman_susdat_id: NS00052648
pubchem_cid: NA
smiles: O=C([O-])C(=O)[O-].O=C(OC)C1(NC(=O)C(C=2C=CC=CC2)C)CC[NH+](CCC=3C=CC=CC3)CC1C
name:
cis-(-)-4-(methoxycarbonyl)-3-methyl-1-phenethyl-4-(N-phenylpropionylamino)piperidinium hydrogen oxalate

inchi:
InChI=1/C25H32N2O3.C2H2O4/c1-19-18-27(16-14-21-10-6-4-7-11-21)17-15-25(19,24(29)30-3)26-23(28)20(2)22-12-8-5-9-13-22;3-1(4)2(5)6/h4-13,19-20H,14-18H2,1-3H3,(H,26,28);(H,3,4)(H,5,6)/p-1


name: Diallyl 5,5'-methylenedianthranilate
cas: 61386-02-5
dtxsid: DTXSID20976930
formula: C21H22N2O4
inchikey: UPLSPVXIVFOSPK-UHFFFAOYSA-N
norman_susdat_id: NS00052665
pubchem_cid: 3047719
smiles: O=C(OCC=C)C1=CC(=CC=C1N)CC2=CC=C(N)C(=C2)C(=O)OCC=C
inchi:
InChI=1/C21H22N2O4/c1-3-9-26-20(24)16-12-14(5-7-18(16)22)11-15-6-8-19(23)17(13-15)21(25)27-10-4-2/h3-8,12-13H,1-2,9-11,22-23H2


name: Sodium (Z)-octadec-9-en-1-yl phosphonate
cas: 61392-10-7
formula: C18H37O3P
inchikey: GANFDIUPLBTPLY-KVVVOXFISA-M
norman_susdat_id: NS00053060
pubchem_cid: NA
smiles: [Na+].O=P([O-])OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H37O3P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10,22H,2-8,11-18H2,1H3,(H,19,20);/q;+1/p-1


name: Potassium (Z)-9-octadecenyl phosphonate
cas: 61392-13-0
formula: C18H37O3P.K
inchikey: KHAJFQVGHVLJLI-KVVVOXFISA-M
norman_susdat_id: NS00086308
smiles: [K+].CCCCCCCC\C=C/CCCCCCCCOP(=O)[O-]
inchi:
InChI=1/C18H37O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10,22H,2-8,11-18H2,1H3,(H,19,20);/q;+1/p-1


name: Sodium octadecyl phosphonate
cas: 61392-14-1
dtxsid: DTXSID50976948
formula: C18H39O3P
inchikey: AXSZIAYNNACFQW-UHFFFAOYSA-M
norman_susdat_id: NS00053153
pubchem_cid: NA
smiles: [Na+].O=P([O-])OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H39O3P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h22H,2-18H2,1H3,(H,19,20);/q;+1/p-1


name: cis-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4-ylmethyl benzoate
cas: 61397-56-6
dtxsid: DTXSID60976954
formula: C18H15BrCl2O4
inchikey: OXUPOIXSQGXRGF-UHFFFAOYSA-N
norman_susdat_id: NS00053154
pubchem_cid: 3114840
smiles: O=C(OCC1OC(OC1)(C2=CC=C(Cl)C=C2Cl)CBr)C=3C=CC=CC3
inchi:
InChI=1/C18H15BrCl2O4/c19-11-18(15-7-6-13(20)8-16(15)21)24-10-14(25-18)9-23-17(22)12-4-2-1-3-5-12/h1-8,14H,9-11H2


name: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol
cas: 61397-58-8
formula: C14H14Cl2N2O3
inchikey: VJZJGRMLFMJRGG-BXUZGUMPSA-N
norman_susdat_id: NS00053155
pubchem_cid: 794636
smiles: ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CO)CN3C=NC=C3
inchi:
InChI=1/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2


name: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate
cas: 61397-61-3
formula: C15H16Cl2N2O5S
inchikey: RSLKNHRJTOZPGF-UHFFFAOYSA-N
norman_susdat_id: NS00086966
smiles: CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c3ccc(Cl)cc3Cl
inchi:
InChI=1/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3


name: Tribenzoin
cas: 614-33-5
chebiid: CHEBI:175993
chemspiderid: 55103
dtxsid: DTXSID90862290
formula: C24H20O6
inchikey: HIZCTWCPHWUPFU-UHFFFAOYSA-N
norman_susdat_id: NS00007729
pubchem_cid: 61156
smiles: O=C(OCC(COC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H20O6/c25-22(18-10-4-1-5-11-18)28-16-21(30-24(27)20-14-8-3-9-15-20)17-29-23(26)19-12-6-2-7-13-19/h1-15,21H,16-17H2


name: Procainamide hydrochloride
cas: 614-39-1
chebiid: CHEBI:8429
formula: C13H21N3O.ClH
inchikey: ABTXGJFUQRCPNH-UHFFFAOYSA-N
norman_susdat_id: NS00079626
smiles: Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1
inchi:
InChI=1/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H


name: DIBROMOPROPAMIDINE DIISETHIONATE
cas: 614-87-9
chebiid: CHEBI:135760
chemspiderid: 11479
formula: C17H18Br2N4O2
inchikey: GMJFVGRUYJHMCO-UHFFFAOYSA-N
norman_susdat_id: NS00013566
pubchem_cid: 11974
smiles: NC(=N)c1ccc(OCCCOc2ccc(cc2Br)C(N)=N)c(Br)c1.OCC[S](O)(=O)=O
inchi:
InChI=1S/C17H18Br2N4O2.C2H6O4S/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19;3-1-2-7(4,5)6/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)


name: Tributyl(p-nitrobenzyl)phosphonium bromide
cas: 6140-98-3
dtxsid: DTXSID90976962
formula: C19H34NO2P
inchikey: GBUHQPJMZDIXGC-UHFFFAOYSA-M
norman_susdat_id: NS00045560
pubchem_cid: 80234
smiles: [Br-].O=[N+]([O-])C1=CC=C(C=C1)C[P+](CCCC)(CCCC)CCCC
inchi:
InChI=1/C19H33NO2P.BrH/c1-4-7-14-23(15-8-5-2,16-9-6-3)17-18-10-12-19(13-11-18)20(21)22;/h10-13H,4-9,14-17H2,1-3H3;1H/q+1;/p-1


name: Parconazole
cas: 61400-59-7
chemspiderid: 2310128
formula: C17H16Cl2N2O3
inchikey: SWKACZZMDOWWGU-RHSMWYFYSA-N
norman_susdat_id: NS00010596
pubchem_cid: 3047814
smiles: C#CCOC[C@@H]1CO[C@@](O1)(Cn2ccnc2)c3ccc(cc3Cl)Cl
inchi:
InChI=1S/C17H16Cl2N2O3/c1-2-7-22-9-14-10-23-17(24-14,11-21-6-5-20-12-21)15-4-3-13(18)8-16(15)19/h1,3-6,8,12,14H,7,9-11H2/t14-,17-/m1/s1


name: Hexadec-2-enylsuccinic acid
cas: 61412-52-0
formula: C20H36O4
inchikey: OEFYCSSKUNVOSE-UHFFFAOYSA-N
norman_susdat_id: NS00086967
smiles: OC(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
inchi:
InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24)


name: Rolipram
cas: 61413-54-5
chemspiderid: 4913
dtxsid: DTXSID3044124
formula: C16H21N1O3
inchikey: HJORMJIFDVBMOB-UHFFFAOYNA-N
norman_susdat_id: NS00034678
pubchem_cid: NA
smiles: COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
inchi:
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1


name: [[(phenylamino)thioxomethyl]amino]methyl diethyldithiocarbamate
cas: 6142-40-1
dtxsid: DTXSID00976978
formula: C13H19N3S3
inchikey: RGLOIUKDSUIXEA-UHFFFAOYSA-N
norman_susdat_id: NS00045528
pubchem_cid: NA
smiles: S=C(SCNC(=S)NC=1C=CC=CC1)N(CC)CC
inchi:
InChI=1/C13H19N3S3/c1-3-16(4-2)13(18)19-10-14-12(17)15-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H2,14,15,17)


name: Carbonothioylbis(iminomethylene) bis(diethyldithiocarbamate)
cas: 6142-41-2
chemspiderid: 2298677
dtxsid: DTXSID60210360
formula: C13H26N4S5
inchikey: SPQBHESGHZSSMQ-UHFFFAOYSA-N
norman_susdat_id: NS00034684
pubchem_cid: 3034170
smiles: CCN(CC)C(=S)SCNC(=S)NCSC(=S)N(CC)CC
inchi:
InChI=1S/C13H26N4S5/c1-5-16(6-2)12(19)21-9-14-11(18)15-10-22-13(20)17(7-3)8-4/h5-10H2,1-4H3,(H2,14,15,18)


name: Carmofur
cas: 61422-45-5
chebiid: CHEBI:31360
dtxsid: DTXSID2045941
formula: C11H16FN3O3
inchikey: AOCCBINRVIKJHY-UHFFFAOYSA-N
norman_susdat_id: NS00068612
pubchem_cid: 2577
smiles: CCCCCCNC(=O)n1cc(F)c(O)nc1=O
inchi:
InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)


name: 2-Aminoethyl (R)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate
cas: 61423-61-8
chebiid: CHEBI:73859
chemspiderid: 3337955
dtxsid: DTXSID60210365
formula: C37H78N1O6P1
inchikey: UXDBPOWEWOXJCE-DIPNUNPCSA-N
norman_susdat_id: NS00034683
pubchem_cid: 6454188
smiles: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C37H78NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-41-35-37(36-44-45(39,40)43-34-31-38)42-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36,38H2,1-2H3,(H,39,40)/t37-/m1/s1


name: Dimepiperate
cas: 61432-55-1
chebiid: CHEBI:34713
chemspiderid: 82782
dtxsid: DTXSID5058141
formula: C15H21N1O1S1
inchikey: BWUPSGJXXPATLU-UHFFFAOYSA-N
norman_susdat_id: NS00008312
pubchem_cid: 91679
smiles: CC(C)(SC(=O)N1CCCCC1)c1ccccc1
inchi:
InChI=1S/C15H21NOS/c1-15(2,13-9-5-3-6-10-13)18-14(17)16-11-7-4-8-12-16/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3


cas: 61433-40-7
formula: C25H17Cl2N9O16S5
inchikey: ZLPVREGQSVXHNJ-UHFFFAOYSA-N
norman_susdat_id: NS00053061
pubchem_cid: 135666503
name:
4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphophenyl]azo]-3-[(2,5-disulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid

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

smiles:
O=S(=O)(O)C1=CC=C(C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC=5N=C(Cl)N=C(Cl)N5)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)=C1)S(=O)(=O)O


name: 2-[[1-hydroxy-6-(methylamino)-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid
cas: 61433-43-0
dtxsid: DTXSID0069468
formula: C21H17N3O10S3
inchikey: KEVWBQLRZVBFCW-UHFFFAOYSA-N
norman_susdat_id: NS00053157
pubchem_cid: 108552
smiles: O=S(=O)(O)C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)O)NC)C2S(=O)(=O)O
inchi:
InChI=1/C21H17N3O10S3/c1-22-12-5-6-13-11(9-12)10-18(36(29,30)31)19(20(13)25)24-23-16-8-7-14-15(21(16)37(32,33)34)3-2-4-17(14)35(26,27)28/h2-10,22,25H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)


name: N-[5-chloro-4-[(4-chlorophenyl)cyanomethyl]-2-(isopropyl)phenyl]-2-hydroxy-3,5-diiodobenzamide
cas: 61438-63-9
dtxsid: DTXSID40977000
formula: C24H18Cl2I2N2O2
inchikey: ZTLCAYUKGRTQNN-UHFFFAOYSA-N
norman_susdat_id: NS00052668
pubchem_cid: 3017259
smiles: N#CC(C1=CC=C(Cl)C=C1)C=2C=C(C(=CC2Cl)NC(=O)C=3C=C(I)C=C(I)C3O)C(C)C
inchi:
InChI=1/C24H18Cl2I2N2O2/c1-12(2)16-9-17(19(11-29)13-3-5-14(25)6-4-13)20(26)10-22(16)30-24(32)18-7-15(27)8-21(28)23(18)31/h3-10,12,19,31H,1-2H3,(H,30,32)


name: N-[2-(ß-D-glucopyranosyloxy)-5-nitrophenyl]palmitamide
cas: 61443-58-1
dtxsid: DTXSID60977007
formula: C28H47N2O9
inchikey: VQANZNCUHNPTGV-TWHDSSIESA-N
norman_susdat_id: NS00052705
pubchem_cid: 173803
smiles: O=C(NC1=CC(=CC=C1OC2OC(CO)C(O)C(O)C2O)[N+](=O)[O-])CCCCCCCCCCCCCCC
inchi:
InChI=1/C28H46N2O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)29-21-18-20(30(36)37)16-17-22(21)38-28-27(35)26(34)25(33)23(19-31)39-28/h16-18,23,25-28,31,33-35H,2-15,19H2,1H3,(H,29,32)


name: 8-Hydroxyloxapine
cas: 61443-77-4
chemspiderid: 39783
dtxsid: DTXSID80210387
formula: C18H18Cl1N3O2
inchikey: VNJRIWXLPIYFGI-UHFFFAOYSA-N
norman_susdat_id: NS00007240
pubchem_cid: 43655
smiles: CN1CCN(CC1)C1=Nc2cc(O)ccc2Oc2ccc(Cl)cc12
inchi:
InChI=1S/C18H18ClN3O2/c1-21-6-8-22(9-7-21)18-14-10-12(19)2-4-16(14)24-17-5-3-13(23)11-15(17)20-18/h2-5,10-11,23H,6-9H2,1H3


name: 8-Hydroxyamoxapine
cas: 61443-78-5
chebiid: CHEBI:143289
chemspiderid: 39784
dtxsid: DTXSID40210388
formula: C17H16Cl1N3O2
inchikey: QDWNOKXUZTYVGO-UHFFFAOYSA-N
norman_susdat_id: NS00010101
pubchem_cid: 43656
smiles: Oc1ccc2Oc3ccc(Cl)cc3C(=Nc2c1)N1CCNCC1
inchi:
InChI=1S/C17H16ClN3O2/c18-11-1-3-15-13(9-11)17(21-7-5-19-6-8-21)20-14-10-12(22)2-4-16(14)23-15/h1-4,9-10,19,22H,5-8H2


name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline mononitrate
cas: 61467-64-9
formula: C19H17N3.HNO3
inchikey: IAAAHGSYZYMPLR-UHFFFAOYSA-N
norman_susdat_id: NS00086290
smiles: Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3.O[N+](=O)[O-]
inchi:
InChI=1/C19H17N3.HNO3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;2-1(3)4/h1-12,20H,21-22H2;(H,2,3,4)


name: Dibutyl 3,3'-(dichlorostannylene)dipropionate
cas: 61470-33-5
dtxsid: DTXSID2052287
formula: C14H26Cl2O4Sn
inchikey: XMGWLFYKLMZYEI-UHFFFAOYSA-L
norman_susdat_id: NS00053114
pubchem_cid: NA
smiles: O=C(OCCCC)CC[Sn](Cl)(Cl)CCC(=O)OCCCC
inchi:
InChI=1/2C7H13O2.2ClH.Sn/c2*1-3-5-6-9-7(8)4-2;;;/h2*2-6H2,1H3;2*1H;/q;;;;+2/p-2/rC14H26Cl2O4Sn/c1-3-5-9-19-13(17)7-11-21(15,16)12-8-14(18)20-10-6-4-2/h3-12H2,1-2H3


name: Butyl 3-(trichlorostannyl)propionate
cas: 61470-34-6
dtxsid: DTXSID4069474
formula: C7H13Cl3O2Sn
inchikey: KKIZJTLMVRCRAA-UHFFFAOYSA-K
norman_susdat_id: NS00052708
pubchem_cid: 109089
smiles: O=C(OCCCC)CC[Sn](Cl)(Cl)Cl
inchi:
InChI=1/C7H13O2.3ClH.Sn/c1-3-5-6-9-7(8)4-2;;;;/h2-6H2,1H3;3*1H;/q;;;;+3/p-3/rC7H13Cl3O2Sn/c1-2-3-5-12-7(11)4-6-13(8,9)10/h2-6H2,1H3


cas: 61470-70-0
chemspiderid: 5289529
dtxsid: DTXSID9069475
formula: C15H17N4O6P1
inchikey: WJPDXHREZGGNEI-UHFFFAOYSA-N
norman_susdat_id: NS00034696
pubchem_cid: NA
smiles: CCN1C(=O)/C(=N/Nc2cc(ccc2)P(=O)(O)O)/C(=C(C(=O)N)C1=O)C
name:
Phosphonic acid, [3-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]phenyl]-

inchi:
InChI=1S/C15H17N4O6P/c1-3-19-14(21)11(13(16)20)8(2)12(15(19)22)18-17-9-5-4-6-10(7-9)26(23,24)25/h4-7,17H,3H2,1-2H3,(H2,16,20)(H2,23,24,25)/b18-12+


name: 3-Chloro-4-(4-chloroanilino)-1-(2,3-dimethylphenyl)-1H-pyrrole-2,5-dione
cas: 6148-20-5
dtxsid: DTXSID90360822
formula: C18H14Cl2N2O2
inchikey: JLFJQUFWRIJDHB-UHFFFAOYSA-N
norman_susdat_id: NS00076455
smiles: CC1=C(C)C(=CC=C1)N1C(=O)C(Cl)=C(NC2=CC=C(Cl)C=C2)C1=O
inchi:
InChI=1S/C18H14Cl2N2O2/c1-10-4-3-5-14(11(10)2)22-17(23)15(20)16(18(22)24)21-13-8-6-12(19)7-9-13/h3-9,21H,1-2H3


cas: 61482-25-5
formula: C22H18N5O16PS4
inchikey: VMAVMCCIGIKEFY-UHFFFAOYSA-N
norman_susdat_id: NS00052724
pubchem_cid: 135570858
name:
4-amino-3-[(2,5-disulphophenyl)azo]-5-hydroxy-6-[(3-phosphonophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C22H18N5O16PS4/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)

smiles:
O=P(O)(O)C=1C=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)O)S(=O)(=O)O)C3N)S(=O)(=O)O)C1


name: 3-[[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
cas: 61488-76-4
formula: C16H13N6O2S
inchikey: ZVXMPDZUGAZYOP-UHFFFAOYSA-N
norman_susdat_id: NS00053115
pubchem_cid: 3017264
smiles: N#CCCNC1=CC=C(N=NC2=NC=3C=CC(=CC3S2)[N+](=O)[O-])C=C1
inchi:
InChI=1/C16H12N6O2S/c17-8-1-9-18-11-2-4-12(5-3-11)20-21-16-19-14-7-6-13(22(23)24)10-15(14)25-16/h2-7,10,18H,1,9H2


name: Propanenitrile, 3-[[2-chloro-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-
cas: 61488-78-6
chemspiderid: 78787
dtxsid: DTXSID9069477
formula: C16H11Cl1N6O2S1
inchikey: NWEQNTISLULYNS-UHFFFAOYSA-N
norman_susdat_id: NS00034702
pubchem_cid: 109092
smiles: [O-][N+](=O)c1cc2c(cc1)nc(s2)N=Nc1ccc(NCCC#N)c(Cl)c1
inchi:
InChI=1S/C16H11ClN6O2S/c17-12-8-10(2-4-13(12)19-7-1-6-18)21-22-16-20-14-5-3-11(23(24)25)9-15(14)26-16/h2-5,8-9,19H,1,7H2/b22-21+


name: Sodium p-octylbenzenesulphonate
cas: 6149-03-7
dtxsid: DTXSID9047594
formula: C14H22O3S
inchikey: ASJUTVUXOMPOQH-UHFFFAOYSA-M
norman_susdat_id: NS00045195
pubchem_cid: 80250
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)CCCCCCCC
inchi:
InChI=1/C14H22O3S.Na/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18(15,16)17;/h9-12H,2-8H2,1H3,(H,15,16,17);/q;+1/p-1


name: 5'a-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione maleate
cas: 61498-90-6
formula: C33H35N5O5.C4H4O4
inchikey: FODBCFCRBVHWSZ-UNMUSCHYSA-N
norman_susdat_id: NS00086331
inchi:
InChI=1/C33H35N5O5.C4H4O4/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;5-3(6)1-2-4(7)8/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);1-2H,(H,5,6)(H,7,8)

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


name: Magnesium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate
cas: 6150-97-6
formula: C13H17N3O4S.1/2Mg
inchikey: NHMUJYOBLYTIKO-UHFFFAOYSA-L
norman_susdat_id: NS00081343
smiles: [Mg+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4
inchi:
InChI=1/2C13H17N3O4S.Mg/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2


name: Sodium N-phenylsulphanilate
cas: 6152-67-6
formula: C12H11NO3S.Na
inchikey: DGXTZMPQSMIFEC-UHFFFAOYSA-M
norman_susdat_id: NS00081354
smiles: [Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1


name: 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinolinium bromide
cas: 6152-78-9
formula: C20H21NO4.BrH
inchikey: ZOTOKALDLZHMJP-UHFFFAOYSA-N
norman_susdat_id: NS00081045
smiles: [Br-].COc1ccc(Cc2[nH+]ccc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1/C20H21NO4.BrH/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;/h5-8,10-12H,9H2,1-4H3;1H


cas: 61526-69-0
dtxsid: DTXSID10977097
formula: C40H52ClN5O7
inchikey: OFKODGKYJDOSSO-UHFFFAOYSA-N
norman_susdat_id: NS00053204
pubchem_cid: 3017265
smiles: O=C(OCCCCCCCCCCCCCCCC)C1=CC=C(Cl)C(C(=O)C(C(=O)C2=CC=C(OC)C=C2)N3C=NC4=C3C(=O)N(C(=O)N4C)C)=C1N
name:
Hexadecyl 4-chloro-3-[3-(4-methoxyphenyl)-1,3-dioxo-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl]anthranilate

inchi:
InChI=1/C40H52ClN5O7/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-53-39(50)29-23-24-30(41)31(32(29)42)36(48)33(35(47)27-19-21-28(52-4)22-20-27)46-26-43-37-34(46)38(49)45(3)40(51)44(37)2/h19-24,26,33H,5-18,25,42H2,1-4H3


cas: 61526-72-5
dtxsid: DTXSID70977098
formula: C40H55N5O7
inchikey: FJFXGJOXMKWQLB-UHFFFAOYSA-N
norman_susdat_id: NS00054033
pubchem_cid: 6454215
smiles: O=C1C2=C(N=CN2C(C(=O)NC3=CC(OC)=CC=C3OC)C(=O)C4=CC=C(OCCCCCCCCCCCCCCCC)C=C4)N(C(=O)N1C)C
name:
N-(2,5-dimethoxyphenyl)-a-[4-(hexadecyloxy)benzoyl]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide

inchi:
InChI=1/C40H55N5O7/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-52-30-22-20-29(21-23-30)36(46)34(38(47)42-32-27-31(50-4)24-25-33(32)51-5)45-28-41-37-35(45)39(48)44(3)40(49)43(37)2/h20-25,27-28,34H,6-19,26H2,1-5H3,(H,42,47)


name: Sulfanilamide, N(sup 1)-(3,4-dimethyl-5-isoxazolyl)-, lithium salt
cas: 6155-81-3
dtxsid: DTXSID10210537
formula: C11H12LiN3O3S
inchikey: AOVGZDWJPDXLOI-UHFFFAOYSA-N
norman_susdat_id: NS00076175
smiles: [Li+].CC1=NOC(NS(=O)(=O)C2=CC=C([NH-])C=C2)=C1C
inchi:
InChI=1S/C11H12N3O3S.Li/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6,12,14H,1-2H3;/q-1;+1


name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine acetate
cas: 6155-92-6
formula: C20H19N3.xC2H4O2
inchikey: WYFDOPYDFNBCCN-UHFFFAOYSA-N
norman_susdat_id: NS00080712
smiles: CC(=O)O.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3
inchi:
InChI=1/C20H19N3.C2H4O2/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;1-2(3)4/h2-12,21H,22-23H2,1H3;1H3,(H,3,4)


name: 4-[(2,4-dimethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 61550-72-9
dtxsid: DTXSID60886443
formula: C18H18N4O3
inchikey: BDPUFQZQVPHSCM-UHFFFAOYSA-N
norman_susdat_id: NS00053130
pubchem_cid: 108554
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(OC)C=C2OC)C=3C=CC=CC3
inchi:
InChI=1/C18H18N4O3/c1-12-17(18(23)22(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(24-2)11-16(15)25-3/h4-11,17H,1-3H3


name: 4-[(4-chloro-2,5-dimethoxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 61550-76-3
dtxsid: DTXSID20886444
formula: C18H17ClN4O3
inchikey: KROVXDRIZCELEG-UHFFFAOYSA-N
norman_susdat_id: NS00052725
pubchem_cid: 108555
smiles: O=C1N(N=C(C)C1N=NC2=CC(OC)=C(Cl)C=C2OC)C=3C=CC=CC3
inchi:
InChI=1/C18H17ClN4O3/c1-11-17(18(24)23(22-11)12-7-5-4-6-8-12)21-20-14-10-15(25-2)13(19)9-16(14)26-3/h4-10,17H,1-3H3


name: (dodecylbenzyl)dimethylsulphonium chloride
cas: 61551-61-9
dtxsid: DTXSID80977120
formula: C21H37S
inchikey: DNEBVKLLIRBFSS-UHFFFAOYSA-M
norman_susdat_id: NS00054034
pubchem_cid: 173811
smiles: [Cl-].C=1C=CC(=C(C1)C[S+](C)C)CCCCCCCCCCCC
inchi:
InChI=1/C21H37S.ClH/c1-4-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)19-22(2)3;/h14-15,17-18H,4-13,16,19H2,1-3H3;1H/q+1;/p-1


name: Propanamide, 2,2'-(1,2-diazenediyl)bis[N-(2-hydroxyethyl)-2-methyl-
cas: 61551-69-7
chemspiderid: 338140
dtxsid: DTXSID2074580
formula: C12H24N4O4
inchikey: WVFLGSMUPMVNTQ-UHFFFAOYSA-N
norman_susdat_id: NS00034724
pubchem_cid: 381605
smiles: CC(C)(N=NC(C)(C)C(=O)NCCO)C(=O)NCCO
inchi:
InChI=1S/C12H24N4O4/c1-11(2,9(19)13-5-7-17)15-16-12(3,4)10(20)14-6-8-18/h17-18H,5-8H2,1-4H3,(H,13,19)(H,14,20)/b16-15-


cas: 61556-43-2
formula: C21H17ClN4O4S
inchikey: LVSLGOCSRNMJSU-UHFFFAOYSA-M
norman_susdat_id: NS00054077
pubchem_cid: 116896
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)[O-])C=4C(Cl)=CC=CC4C
name:
Sodium 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C21H17ClN4O4S.Na/c1-12-6-5-9-16(22)19(12)26-21(27)18(13(2)25-26)24-23-17-11-10-14-7-3-4-8-15(14)20(17)31(28,29)30;/h3-11,18H,1-2H3,(H,28,29,30);/q;+1/p-1


name: Carbamic acid, butyl-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
cas: 61556-47-6
chemspiderid: 98106
dtxsid: DTXSID9069479
formula: C22H26N6O4
inchikey: WFDRYDMTWFOSCK-UHFFFAOYSA-N
norman_susdat_id: NS00034726
pubchem_cid: 109098
smiles: CCCCNC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C22H26N6O4/c1-2-3-14-24-22(29)32-17-16-27(15-4-13-23)20-9-5-18(6-10-20)25-26-19-7-11-21(12-8-19)28(30)31/h5-12H,2-4,14-17H2,1H3,(H,24,29)/b26-25+


name: (αR,7α)-3-Hydroxy-α-((perfluorobutyl)propyl)-17-oxo-estra-1,3,5(10)-triene-7-decanoic acid
cas: 615563-01-4
dtxsid: DTXSID40897476
formula: C35H45F9O4
inchikey: SXPDQFMOOOYJJG-IMTRHWJASA-N
norman_susdat_id: NS00110496
inchi:
InChI=1S/C35H45F9O4/c1-31-18-16-26-25-13-12-24(45)20-23(25)19-22(29(26)27(31)14-15-28(31)46)10-7-5-3-2-4-6-9-21(30(47)48)11-8-17-32(36,37)33(38,39)34(40,41)35(42,43)44/h12-13,20-22,26-27,29,45H,2-11,14-19H2,1H3,(H,47,48)/t21-,22-,26-,27+,29-,31+/m1/s1

smiles:
[H]C(CCCCCCCC[C@]1([H])CC2=CC(O)=CC=C2[C@@]2([H])CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]12[H])(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O


name: Actinomycin C3
cas: 6156-47-4
chemspiderid: 16736843
dtxsid: DTXSID30873421
formula: C64H90N12O16
inchikey: XLGPRYUFOGVPMM-WUXANXDBSA-N
norman_susdat_id: NS00011849
pubchem_cid: 20055431
inchi:
InChI=1S/C64H90N12O16/c1-17-31(7)44-61(86)75-25-19-21-38(75)59(84)71(13)27-40(77)73(15)50(29(3)4)63(88)90-35(11)46(57(82)67-44)69-55(80)37-24-23-33(9)53-48(37)66-49-42(43(65)52(79)34(10)54(49)92-53)56(81)70-47-36(12)91-64(89)51(30(5)6)74(16)41(78)28-72(14)60(85)39-22-20-26-76(39)62(87)45(32(8)18-2)68-58(47)83/h23-24,29-32,35-36,38-39,44-47,50-51H,17-22,25-28,65H2,1-16H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t31-,32-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1

smiles:
CC[C@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c3ccc(c4c3nc-5c(c(c(=O)c(c5o4)C)N)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)[C@@H](C)CC)C)C)C(C)C)C)C)C)C(C)C)C)C


name: 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
cas: 61563-18-6
dtxsid: DTXSID00866865
formula: C17H26N2O3
inchikey: GMJHUSJLZXFFQJ-UHFFFAOYSA-N
norman_susdat_id: NS00052768
pubchem_cid: 68811
smiles: O=CN1CC=2C=CC=C(OCC(O)CNC(C)(C)C)C2CC1
inchi:
InChI=1/C17H26N2O3/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16/h4-6,12,14,18,21H,7-11H2,1-3H3


name: Trestolone
cas: 6157-87-5
dtxsid: DTXSID20863270
formula: C19H28O2
inchikey: YSGQGNQWBLYHPE-CFUSNLFHSA-N
norman_susdat_id: NS00069860
pubchem_cid: 9838899
smiles: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21
inchi:
InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1


name: Tioxidazole
cas: 61570-90-9
chemspiderid: 65130
dtxsid: DTXSID7046178
formula: C12H14N2O3S1
inchikey: HLLICFJUWSZHRJ-UHFFFAOYSA-N
norman_susdat_id: NS00034729
pubchem_cid: 72157
smiles: CCCOc1cc2c(cc1)nc(NC(=O)OC)s2
inchi:
InChI=1S/C12H14N2O3S/c1-3-6-17-8-4-5-9-10(7-8)18-11(13-9)14-12(15)16-2/h4-5,7H,3,6H2,1-2H3,(H,13,14,15)


name: 4-{[(Perfluorooctyl)sulfonyl](methyl)amino}butyl 2-methyl-2-propenoate
cas: 61577-14-8
chemspiderid: 98109
dtxsid: DTXSID40880525
formula: C17H16F17N1O4S1
inchikey: DJKGXDGHCIHDPZ-UHFFFAOYSA-N
norman_susdat_id: NS00011345
pubchem_cid: 109102
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C(=C)C
inchi:
InChI=1S/C17H16F17NO4S/c1-8(2)9(36)39-7-5-4-6-35(3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h1,4-7H2,2-3H3


name: [[4-(a,a-dimethylbenzyl)phenoxy]methyl]oxirane
cas: 61578-04-9
dtxsid: DTXSID90886451
formula: C18H20O2
inchikey: MHTUIBIYJWEQKA-UHFFFAOYSA-N
norman_susdat_id: NS00053717
pubchem_cid: 62186
smiles: O(C1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)CC3OC3
inchi:
InChI=1/C18H20O2/c1-18(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-12-17-13-20-17/h3-11,17H,12-13H2,1-2H3


name: Cocaine-Nor
cas: 61585-22-6
chemspiderid: 27185
formula: C16H19NO4
inchikey: RERBBBLSJAMJFJ-UHFFFAOYSA-N
norman_susdat_id: NS00101003
pubchem_cid: 29230
smiles: COC(=O)C1C2CCC(N2)CC1C(=O)Oc3ccccc3
inchi:
InChI=1S/C16H19NO4/c1-20-16(19)14-12(9-10-7-8-13(14)17-10)15(18)21-11-5-3-2-4-6-11/h2-6,10,12-14,17H,7-9H2,1H3


cas: 61585-90-8
dtxsid: DTXSID10977173
formula: C36H31N3O5S3
inchikey: XIWJNWWOPFNDHF-UHFFFAOYSA-N
norman_susdat_id: NS00054558
pubchem_cid: 99988
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(C(=C)C)N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3SSC5=NC=6C=CC=CC6S5
name:
Benzhydryl 2-(benzothiazol-2-yldithio)-a-(isopropenyl)-4-oxo-3-[(phenoxyacetyl)amino]azetidine-1-acetate

inchi:
InChI=1/C36H31N3O5S3/c1-23(2)31(35(42)44-32(24-14-6-3-7-15-24)25-16-8-4-9-17-25)39-33(41)30(38-29(40)22-43-26-18-10-5-11-19-26)34(39)46-47-36-37-27-20-12-13-21-28(27)45-36/h3-21,30-32,34H,1,22H2,2H3,(H,38,40)


name: 1-Undecene, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-
cas: 61589-64-8
dtxsid: DTXSID80454860
formula: C11H5F17
inchikey: IGZCYJHKCGTUQB-UHFFFAOYSA-N
norman_susdat_id: NS00111585
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)CC=C
inchi:
InChI=1S/C11H5F17/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1,3H2


name: 1,1'-diheptyl-4,4'-bipyridinium dibromide
cas: 6159-05-3
dtxsid: DTXSID90889503
formula: C24H38N2
inchikey: VRXAJMCFEOESJO-UHFFFAOYSA-L
norman_susdat_id: NS00044011
pubchem_cid: 80263
smiles: [Br-].[Br-].C=1C=[N+](C=CC1C=2C=C[N+](=CC2)CCCCCCC)CCCCCCC
inchi:
InChI=1/C24H38N2.2BrH/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;;/h13-16,19-22H,3-12,17-18H2,1-2H3;2*1H/q+2;;/p-2


name: tusukal
cas: 6159-39-3
chemspiderid: 84978
formula: C20H25N1O1
inchikey: ZOCMPVMKPVJTEP-UHFFFAOYSA-N
norman_susdat_id: NS00005045
pubchem_cid: 94161
smiles: CC(N1CCCCC1)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H25NO/c1-17(21-15-9-4-10-16-21)20(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,22H,4,9-10,15-16H2,1H3


name: 4,4'-Decylidenebisphenol
cas: 61593-21-3
chemspiderid: 4956556
dtxsid: DTXSID70210593
formula: C22H30O2
inchikey: ICYDRUIZSPKQOH-UHFFFAOYSA-N
norman_susdat_id: NS00034738
pubchem_cid: 6454223
smiles: CCCCCCCCCC(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-22(18-10-14-20(23)15-11-18)19-12-16-21(24)17-13-19/h10-17,22-24H,2-9H2,1H3


name: (Z)-1-ethyl-2-(8-heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 61596-15-4
formula: C24H47N2O.C2H5O4S
inchikey: JPBSKTZADDYQLF-AFEZEDKISA-M
norman_susdat_id: NS00086325
smiles: CCCCCCCC\C=C/CCCCCCCC1=NCC[N+]1(CC)CCO.CCOS(=O)(=O)[O-]
inchi:
InChI=1/C24H47N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h11-12,27H,3-10,13-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: N-(3-Hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
cas: 616-66-0
dtxsid: DTXSID50857723
formula: C15H22N2O2
inchikey: DVENKGUHBZKQPU-UHFFFAOYSA-N
norman_susdat_id: NS00096936
smiles: CC1=C(C(=C(C=C1)O)C)NC(=O)C2CCCCN2C
inchi:
InChI=1S/C15H22N2O2/c1-10-7-8-13(18)11(2)14(10)16-15(19)12-6-4-5-9-17(12)3/h7-8,12,18H,4-6,9H2,1-3H3,(H,16,19)


name: Di-o-tolylmercury
cas: 616-99-9
formula: C14H14Hg
inchikey: MXBDBDZPEVJJMM-UHFFFAOYSA-N
norman_susdat_id: NS00079431
smiles: Cc1ccccc1[Hg]c2ccccc2C
inchi:
InChI=1/2C7H7.Hg/c2*1-7-5-3-2-4-6-7;/h2*2-5H,1H3;/rC14H14Hg/c1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2/h3-10H,1-2H3


name: Streptomycin hydrochloride
cas: 6160-32-3
formula: C21H39N7O12.3ClH
inchikey: OUPXGZWWSAGXEC-RMIBZTJPSA-N
norman_susdat_id: NS00081062
inchi:
InChI=1/C21H39N7O12.ClH/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);1H

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


name: 4-Methylumbelliferyl glucuronide
cas: 6160-80-1
chemspiderid: 2915865
dtxsid: DTXSID10891502
formula: C16H16O9
inchikey: ARQXEQLMMNGFDU-UHFFFAOYSA-N
norman_susdat_id: NS00003570
pubchem_cid: 3683393
smiles: Cc1cc(=O)oc2cc(OC3OC(C(O)C(O)C3O)C(O)=O)ccc12
inchi:
InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)


name: Propanedinitrile, [3-(dihexylamino)-2-propenylidene]-
cas: 61600-15-5
chemspiderid: 97613
dtxsid: DTXSID3069481
formula: C18H29N3
inchikey: UKMOTPPGNSDWRI-UHFFFAOYSA-N
norman_susdat_id: NS00034741
pubchem_cid: 108562
smiles: CCCCCCN(CCCCCC)/C=C/C=C(C#N)C#N
inchi:
InChI=1S/C18H29N3/c1-3-5-7-9-13-21(14-10-8-6-4-2)15-11-12-18(16-19)17-20/h11-12,15H,3-10,13-14H2,1-2H3/b15-11+


cas: 61607-66-7
chemspiderid: 4956562
dtxsid: DTXSID60210623
formula: C13H19N7O3S2
inchikey: GXYPNLAGPFOZBS-LDYMZIIASA-N
norman_susdat_id: NS00034744
pubchem_cid: 6454229
smiles: CN(C)CCn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O
name:
(6R-trans)-7-Amino-3-(((1-(2-(dimethylamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C13H19N7O3S2/c1-18(2)3-4-19-13(15-16-17-19)25-6-7-5-24-11-8(14)10(21)20(11)9(7)12(22)23/h8,11H,3-6,14H2,1-2H3,(H,22,23)/t8-,11-/m1/s1


name: Dioctyl phenyl phosphate
cas: 6161-81-5
chemspiderid: 72511
dtxsid: DTXSID20210629
formula: C22H39O4P1
inchikey: QHGRPTNUHWYCEN-UHFFFAOYSA-N
norman_susdat_id: NS00022506
pubchem_cid: 80269
smiles: CCCCCCCCOP(=O)(OCCCCCCCC)Oc1ccccc1
inchi:
InChI=1S/C22H39O4P/c1-3-5-7-9-11-16-20-24-27(23,26-22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3


name: 6a,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-hexanoate
cas: 61618-92-6
dtxsid: DTXSID90977217
formula: C28H38F2O5
inchikey: OZZXICRREQZMOQ-ANHDKODLSA-N
norman_susdat_id: NS00053720
pubchem_cid: 20841914
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)COC(=O)CCCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H38F2O5/c1-5-6-7-8-24(34)35-15-22(32)25-16(2)11-18-19-13-21(29)20-12-17(31)9-10-27(20,4)28(19,30)23(33)14-26(18,25)3/h9-10,12,16,18-19,21,23,25,33H,5-8,11,13-15H2,1-4H3


name: Cefotiam
cas: 61622-34-2
chebiid: CHEBI:355510
chemspiderid: 39831
dtxsid: DTXSID6022763
formula: C18H23N9O4S3
inchikey: QYQDKDWGWDOFFU-IUODEOHRSA-N
norman_susdat_id: NS00006913
pubchem_cid: 43708
smiles: CN(C)CCn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1csc(N)n1)C2=O)C(O)=O
inchi:
InChI=1S/C18H23N9O4S3/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31)/t12-,15-/m1/s1


name: 6-(acryloyloxy)hexyl o-benzoylbenzoate
cas: 61630-26-0
dtxsid: DTXSID40210646
formula: C23H24O5
inchikey: JBYFBBJPUAPECR-UHFFFAOYSA-N
norman_susdat_id: NS00053198
pubchem_cid: 3017271
smiles: O=C(OCCCCCCOC(=O)C=1C=CC=CC1C(=O)C=2C=CC=CC2)C=C
inchi:
InChI=1/C23H24O5/c1-2-21(24)27-16-10-3-4-11-17-28-23(26)20-15-9-8-14-19(20)22(25)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2


name: 6-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2-sulphonic acid
cas: 61631-90-1
formula: C16H13N4O7S
inchikey: QVWPGFYTJMFGAZ-UHFFFAOYSA-N
norman_susdat_id: NS00053199
pubchem_cid: 135571063
smiles: O=[N+]([O-])C1=CC=C(O)C(N=NC=2C(O)=C3C=C(N)C=CC3=CC2S(=O)(=O)O)=C1
inchi:
InChI=1/C16H12N4O7S/c17-9-2-1-8-5-14(28(25,26)27)15(16(22)11(8)6-9)19-18-12-7-10(20(23)24)3-4-13(12)21/h1-7,21-22H,17H2,(H,25,26,27)


name: Protopine hydrochloride
cas: 6164-47-2
formula: C20H19NO5.ClH
inchikey: NWNVDSJZGYDVQW-UHFFFAOYSA-N
norman_susdat_id: NS00080865
smiles: Cl.CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1
inchi:
InChI=1/C20H19NO5.ClH/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17;/h2-3,7-8H,4-6,9-11H2,1H3;1H


name: N-Ethyl-N-[3-(trimethoxysilyl)propyl]perfluorooctanesulfonamide
cas: 61660-12-6
dtxsid: DTXSID8069484
formula: C16H20F17NO5SSi
inchikey: BFSVEUJCJYGSKA-UHFFFAOYSA-N
norman_susdat_id: NS00111607
smiles: CCN(CCC[Si](OC)(OC)OC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H20F17NO5SSi/c1-5-34(7-6-8-41(37-2,38-3)39-4)40(35,36)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h5-8H2,1-4H3


name: 2,2'-(1,3-Phenylenediisopropylidene)bis(4,6-xylenol)
cas: 61660-45-5
chemspiderid: 4956570
dtxsid: DTXSID30210670
formula: C28H34O2
inchikey: SHPDPVACXLGZNP-UHFFFAOYSA-N
norman_susdat_id: NS00034758
pubchem_cid: 6454238
smiles: Cc1cc(C)c(O)c(c1)C(C)(C)c1cc(ccc1)C(C)(C)c1cc(C)cc(C)c1O
inchi:
InChI=1S/C28H34O2/c1-17-12-19(3)25(29)23(14-17)27(5,6)21-10-9-11-22(16-21)28(7,8)24-15-18(2)13-20(4)26(24)30/h9-16,29-30H,1-8H3


name: Levdobutamine
cas: 61661-06-1
chebiid: CHEBI:59805
dtxsid: DTXSID90210671
formula: C18H23NO3
inchikey: JRWZLRBJNMZMFE-ZDUSSCGKSA-N
norman_susdat_id: NS00076446
smiles: C[C@@H](CCC1=CC=C(O)C=C1)NCCC1=CC(O)=C(O)C=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/t13-/m0/s1


name: Lactic acid, compound with N-benzyl-1-methyl-N-phenylpiperidin-4-amine (1:1)
cas: 61670-09-5
formula: C19H24N2.C3H6O3
inchikey: VUNFQOFEWHEROV-UHFFFAOYSA-N
norman_susdat_id: NS00086627
smiles: CC(O)C(=O)O.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3
inchi:
InChI=1/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6)


cas: 61670-11-9
formula: C26H18N5O14S3
inchikey: YGQOEPLGJKWCPD-UHFFFAOYSA-N
norman_susdat_id: NS00053200
pubchem_cid: 135666472
name:
4-hydroxy-5-[(2-hydroxynaphthyl)azo]-3-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C26H17N5O14S3/c32-20-6-5-12-3-1-2-4-16(12)23(20)29-27-17-9-14(46(37,38)39)7-13-8-21(48(43,44)45)24(26(34)22(13)17)30-28-18-10-15(47(40,41)42)11-19(25(18)33)31(35)36/h1-11,32-34H,(H,37,38,39)(H,40,41,42)(H,43,44,45)

smiles:
O=[N+]([O-])C1=CC(=CC(N=NC2=C(O)C3=C(N=NC4=C(O)C=CC=5C=CC=CC54)C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)=C1O)S(=O)(=O)O


name: 2-chloro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide
cas: 61677-60-9
dtxsid: DTXSID60977249
formula: C17H19ClN2O2
inchikey: MOJAPVMKZBMFTP-UHFFFAOYSA-N
norman_susdat_id: NS00054562
pubchem_cid: 12318088
smiles: O=C(NCC(O)CN(C=1C=CC=CC1)C)C=2C=CC=CC2Cl
inchi:
InChI=1/C17H19ClN2O2/c1-20(13-7-3-2-4-8-13)12-14(21)11-19-17(22)15-9-5-6-10-16(15)18/h2-10,14,21H,11-12H2,1H3,(H,19,22)


name: cis-2,2'-(1-methylpiperidine-2,6-diyl)bis[1-phenylethan-1-one] hydrochloride
cas: 6168-88-3
formula: C22H25NO2
inchikey: TVXBKVYKFXLEAI-UHFFFAOYSA-N
norman_susdat_id: NS00044697
pubchem_cid: 22551
smiles: Cl.O=C(C=1C=CC=CC1)CC2N(C)C(CC(=O)C=3C=CC=CC3)CCC2
inchi:
InChI=1/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H


name: 2-Ethyl-2-(((1-oxodocosyl)oxy)methyl)propane-1,3-diyl didocosanoate
cas: 61682-71-1
chemspiderid: 4956575
dtxsid: DTXSID70210679
formula: C72H140O6
inchikey: SWRGMIIFXSIILX-UHFFFAOYSA-N
norman_susdat_id: NS00034765
pubchem_cid: 6454243
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C72H140O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-69(73)76-66-72(8-4,67-77-70(74)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)68-78-71(75)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-68H2,1-4H3


name: Pentaerythritol tetrabehenate
cas: 61682-73-3
chemspiderid: 143047
dtxsid: DTXSID60893556
formula: C93H180O8
inchikey: SMLXTTLNOGQHHB-UHFFFAOYSA-N
norman_susdat_id: NS00013965
pubchem_cid: 162947
inchi:
InChI=1S/C93H180O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3

smiles:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC


name: 1-Hexadecanol, phosphate, compd. with 2,2'-iminobis[ethanol] (1:1)
cas: 61693-41-2
formula: -
inchikey: GKKMCECQQIKAHA-UHFFFAOYSA-L
norman_susdat_id: NS00093605
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO
inchi:
InChI=1/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2/p-2


name: 6'-butoxy-3,3'-azopyridine-2,6-diyldiamine
cas: 617-19-6
formula: C14H18N6O
inchikey: WAWDOEHEAULMGC-UHFFFAOYSA-N
norman_susdat_id: NS00041809
pubchem_cid: 96213
smiles: N(=NC1=CC=C(N=C1N)N)C2=CN=C(OCCCC)C=C2
inchi:
InChI=1/C14H18N6O/c1-2-3-8-21-13-7-4-10(9-17-13)19-20-11-5-6-12(15)18-14(11)16/h4-7,9H,2-3,8H2,1H3,(H4,15,16,18)


name: Chloropyramine hydrochloride
cas: 6170-42-9
formula: C16H20ClN3.ClH
inchikey: VEYWWAGBHABATA-UHFFFAOYSA-N
norman_susdat_id: NS00080867
smiles: Cl.CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2
inchi:
InChI=1/C16H20ClN3.ClH/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14;/h3-10H,11-13H2,1-2H3;1H


name: Sodium hydrogen 3-amino-5-hydroxynaphthalene-2,7-disulphonate
cas: 61702-42-9
formula: C10H9NO7S2.Na
inchikey: IYLBHLMEOLOIOH-UHFFFAOYSA-L
norman_susdat_id: NS00086215
smiles: [Na+].Nc1cc2c(O)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.Na/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2


name: Sodium 2-hydroxy-9H-carbazole-3-carboxylate
cas: 61702-45-2
formula: C13H9NO3.Na
inchikey: QNOFFQTXNHLBPF-UHFFFAOYSA-M
norman_susdat_id: NS00086216
smiles: [Na+].Oc1cc2[nH]c3ccccc3c2cc1C(=O)[O-]
inchi:
InChI=1/C13H9NO3.Na/c15-12-6-11-8(5-9(12)13(16)17)7-3-1-2-4-10(7)14-11;/h1-6,14-15H,(H,16,17);/q;+1/p-1


name: 2-hydroxy-5-nitro-4-sulphonaphthalene-1-diazonium
cas: 61702-47-4
dtxsid: DTXSID50886457
formula: C10H7N3O6S
inchikey: JCMUJGIQVVVVGD-UHFFFAOYSA-O
norman_susdat_id: NS00052980
pubchem_cid: 109121
smiles: N#[N+]C1=C(O)C=C(C=2C1=CC=CC2[N+](=O)[O-])S(=O)(=O)O
inchi:
InChI=1/C10H5N3O6S/c11-12-10-5-2-1-3-6(13(15)16)9(5)8(4-7(10)14)20(17,18)19/h1-4H,(H-,14,17,18,19)/p+1


name: Didecyl hydrogen phosphate, compound with morpholine (1:1)
cas: 61702-53-2
formula: C20H43O4P.C4H9NO
inchikey: DACVRKXPQVNABS-UHFFFAOYSA-N
norman_susdat_id: NS00086217
smiles: CCCCCCCCCCOP(=O)(O)OCCCCCCCCCC.C1COCCN1
inchi:
InChI=1/C20H43O4P.C4H9NO/c1-3-5-7-9-11-13-15-17-19-23-25(21,22)24-20-18-16-14-12-10-8-6-4-2;1-3-6-4-2-5-1/h3-20H2,1-2H3,(H,21,22);5H,1-4H2


name: Dioctadecyl hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 61702-57-6
formula: C36H75O4P.C6H15NO3
inchikey: SJZZDLZBGLQGCG-UHFFFAOYSA-N
norman_susdat_id: NS00086858
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C36H75O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-36H2,1-2H3,(H,37,38);8-10H,1-6H2


name: Disodium 1,1-bis(carboxymethyl)-4,5-dihydro-2-undecyl-1H-imidazolium chloride
cas: 61702-59-8
dtxsid: DTXSID40977282
formula: C18H33N2O4
inchikey: AXGUOLFZRQMIQS-UHFFFAOYSA-N
norman_susdat_id: NS00052888
pubchem_cid: 62188
smiles: [Na+].[Na+].[Cl-].O=C(O)C[N+]1(C(=NCC1)CCCCCCCCCCC)CC(=O)O
inchi:
InChI=1/C18H32N2O4.ClH.2Na/c1-2-3-4-5-6-7-8-9-10-11-16-19-12-13-20(16,14-17(21)22)15-18(23)24;;;/h2-15H2,1H3,(H-,21,22,23,24);1H;;/q;;2*+1


name: Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium chloride
cas: 61702-60-1
formula: C16H31N2O3.Cl.Na
inchikey: POVUGDKHMUIRIZ-UHFFFAOYSA-N
norman_susdat_id: NS00086164
smiles: [Na+].[Cl-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
inchi:
InChI=1/C16H30N2O3.ClH.Na/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;;/h19H,2-14H2,1H3;1H;/q;;+1


name: Octadecanamide, N,N'-1,2-ethanediylbis[N-ethyl-
cas: 61702-61-2
chemspiderid: 98126
dtxsid: DTXSID2069490
formula: C42H84N2O2
inchikey: SBNDFCBFYATLME-UHFFFAOYSA-N
norman_susdat_id: NS00034769
pubchem_cid: 109124
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CC)CCN(CC)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H84N2O2/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(45)43(7-3)39-40-44(8-4)42(46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-40H2,1-4H3


name: Octadecanamide, N-[[2-[bis(2-hydroxyethyl)amino]ethoxy]methyl]-
cas: 61702-64-5
chemspiderid: 98127
dtxsid: DTXSID7069491
formula: C25H52N2O4
inchikey: ZFTNSSDKWRIVEY-UHFFFAOYSA-N
norman_susdat_id: NS00034770
pubchem_cid: 109125
smiles: CCCCCCCCCCCCCCCCCC(=O)NCOCCN(CCO)CCO
inchi:
InChI=1S/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)26-24-31-23-20-27(18-21-28)19-22-29/h28-29H,2-24H2,1H3,(H,26,30)


name: 2-dodecanoyloxypropane-1-sulfonic acid
cas: 61702-70-3
chemspiderid: 32697707
formula: C15H30O5S1
inchikey: RWBFRSNBARGKRA-UHFFFAOYSA-N
norman_susdat_id: NS00040867
pubchem_cid: 71488935
smiles: CCCCCCCCCCCC(=O)OC(C)CS(O)(=O)=O
inchi:
InChI=1S/C15H30O5S/c1-3-4-5-6-7-8-9-10-11-12-15(16)20-14(2)13-21(17,18)19/h14H,3-13H2,1-2H3,(H,17,18,19)


cas: 61702-74-7
formula: C44H84N2O4
norman_susdat_id: NS00101768
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[1,6-hexanediylbis(iminocarbonyl)]bis[.omega.-(9-octadecenyloxy)-


cas: 61702-75-8
formula: C9H14O6
norman_susdat_id: NS00101641
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(2Z)-4-[2-(2-methoxyethoxy)ethoxy]-1,4-dioxo-2-butenyl]-.omega.-hydroxy-


name: Hexyl isodecyl phthalate
cas: 61702-81-6
chemspiderid: 97905
dtxsid: DTXSID2069492
formula: C24H38O4
inchikey: LPYUOHUCVXCMSY-UHFFFAOYSA-N
norman_susdat_id: NS00034772
pubchem_cid: 109126
smiles: CCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C24H38O4/c1-4-5-6-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-9-7-8-10-15-20(2)3/h11-12,16-17,20H,4-10,13-15,18-19H2,1-3H3


name: Benzene, 1,1'-oxybis[(1,1,3,3-tetramethylbutyl)-
cas: 61702-88-3
chemspiderid: 60230
dtxsid: DTXSID90890912
formula: C28H42O1
inchikey: AJDONJVWDSZZQF-UHFFFAOYSA-N
norman_susdat_id: NS00003188
pubchem_cid: 66867
smiles: CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1
inchi:
InChI=1S/C28H42O/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18H,19-20H2,1-10H3


name: Ammonium dipentylnaphthalenesulphonate
cas: 61702-92-9
dtxsid: DTXSID20977285
formula: C20H28O3S
inchikey: ZTRXAIIXCCGSMH-UHFFFAOYSA-N
norman_susdat_id: NS00052981
pubchem_cid: 173828
smiles: O=S(=O)([O-])C=1C=2C=CC=CC2C=C(C1CCCCC)CCCCC.[NH4+]
inchi:
InChI=1/C20H28O3S.H3N/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2;/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23);1H3


name: (phenylmethyl)naphthalenesulphonic acid
cas: 61702-93-0
formula: C17H14O3S
inchikey: CBCZQJLYYRPMRI-UHFFFAOYSA-N
norman_susdat_id: NS00086218
smiles: OS(=O)(=O)c1c(Cc2ccccc2)ccc3ccccc13
inchi:
InChI=1/C17H14O3S/c18-21(19,20)17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-11H,12H2,(H,18,19,20)


name: Dipentylnaphthalenesulphonic acid
cas: 61702-94-1
formula: C20H28O3S
inchikey: ZHCSPYKWNQONPB-UHFFFAOYSA-N
norman_susdat_id: NS00086859
smiles: CCCCCc1cc2ccccc2c(c1CCCCC)S(=O)(=O)O
inchi:
InChI=1/C20H28O3S/c1-3-5-7-11-16-15-17-12-9-10-14-19(17)20(24(21,22)23)18(16)13-8-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3,(H,21,22,23)


name: 6-((Phenylsulphonyl)amino)hexanoic acid
cas: 61714-42-9
chemspiderid: 2285045
dtxsid: DTXSID20210720
formula: C12H17N1O4S1
inchikey: KKKPOIVLPJUNEA-UHFFFAOYSA-N
norman_susdat_id: NS00034774
pubchem_cid: 3017278
smiles: OC(=O)CCCCCNS(=O)(=O)c1ccccc1
inchi:
InChI=1S/C12H17NO4S/c14-12(15)9-5-2-6-10-13-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2,(H,14,15)


cas: 61723-83-9
formula: C78H142O10
norman_susdat_id: NS00101752
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with D-glucitol (2:1), tetra-(9Z)-9-octadecenoate


cas: 61723-85-1
formula: C66H124O11
norman_susdat_id: NS00101757
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy, ether with D-glucitol (1:1), pentadodecanoate


cas: 61723-86-2
formula: C98H176O12
norman_susdat_id: NS00101747
name:
Poly(oxy-1,2-ethanediyl), .alpha.-acetyl-.omega.-hydroxy-, ether with D-glucitol (1:1), penta-(9Z)-9-octadecenoate


name: Dimethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phosphonate
cas: 61726-43-0
dtxsid: DTXSID40896702
formula: C12H10F17O3P
inchikey: XEYTXSGNJOYNKO-UHFFFAOYSA-N
norman_susdat_id: NS00110478
smiles: COP(=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)OC
inchi:
InChI=1S/C12H10F17O3P/c1-31-33(30,32-2)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3-4H2,1-2H3


name: Dimethyl (3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphonatato
cas: 61726-44-1
dtxsid: DTXSID90896696
formula: C10H10F13O3P
inchikey: MJRRAUCJAYEEOS-UHFFFAOYSA-N
norman_susdat_id: NS00112198
smiles: COP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
inchi:
InChI=1S/C10H10F13O3P/c1-25-27(24,26-2)4-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3-4H2,1-2H3


name: Dimethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
cas: 61726-45-2
dtxsid: DTXSID60896704
formula: C14H10F21O3P
inchikey: UJGOERJAHVHANM-UHFFFAOYSA-N
norman_susdat_id: NS00111152
smiles: COP(=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)OC
inchi:
InChI=1S/C14H10F21O3P/c1-37-39(36,38-2)4-3-5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)35/h3-4H2,1-2H3


name: Bamipine hydrochloride
cas: 61732-85-2
formula: C19H24N2.2ClH
inchikey: OIKFTEUNPYSIGY-UHFFFAOYSA-N
norman_susdat_id: NS00086165
smiles: Cl.CN1CCC(CC1)N(Cc2ccccc2)c3ccccc3
inchi:
InChI=1/C19H24N2.ClH/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;/h2-11,19H,12-16H2,1H3;1H


name: 4-Pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate
cas: 61733-23-1
chemspiderid: 4956584
dtxsid: DTXSID60210729
formula: C31H38O2
inchikey: PDQIXOGFLRWAKG-UHFFFAOYSA-N
norman_susdat_id: NS00034776
pubchem_cid: 6454252
smiles: CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(CCCCC)cc1
inchi:
InChI=1S/C31H38O2/c1-3-5-7-8-10-12-25-13-17-27(18-14-25)28-19-21-29(22-20-28)31(32)33-30-23-15-26(16-24-30)11-9-6-4-2/h13-24H,3-12H2,1-2H3


name: Calcium N-(1-oxooctadecyl)-L-glutamate (1:1)
cas: 61745-54-8
formula: C23H43NO5.Ca
inchikey: SPIYXUNAARDHMT-MLQCRBJCSA-L
norman_susdat_id: NS00086166
smiles: [CaH2].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C23H43NO5.Ca.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);;;/q;+2;;/p-2/rC23H43NO5.CaH2/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);1H2/q;+2/p-2


name: Barium N-(1-oxooctadecyl)-L-glutamate (1:1)
cas: 61745-55-9
formula: C23H43NO5.Ba
inchikey: UBVZJXUEUHKNQA-BDQAORGHSA-L
norman_susdat_id: NS00086860
smiles: [Ba].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C23H43NO5.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2


name: Zinc N-(1-oxooctadecyl)-L-glutamate (1:1)
cas: 61745-56-0
formula: C23H43NO5.Zn
inchikey: JULWYGGDPOPQDN-BDQAORGHSA-L
norman_susdat_id: NS00086861
smiles: [Zn].CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C23H43NO5.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2


name: Calcium(2+) N6-(1-oxooctadecyl)-L-lysinate
cas: 61745-57-1
formula: C24H48N2O3.1/2Ca
inchikey: MUAREIYWGDWFQC-VRCDMBAWSA-L
norman_susdat_id: NS00086167
smiles: [Ca+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-]
inchi:
InChI=1/2C24H48N2O3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h2*22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;;+2/p-2


name: Zinc(2+) N6-(1-oxooctadecyl)-L-lysinate
cas: 61745-58-2
formula: C24H48N2O3.1/2Zn
inchikey: KUUAJIHZQLIVCZ-VRCDMBAWSA-L
norman_susdat_id: NS00085868
smiles: [Zn+2].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-]
inchi:
InChI=1/2C24H48N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29;/h2*22H,2-21,25H2,1H3,(H,26,27)(H,28,29);/q;;+2/p-2


name: Zinc(2+) N6-(1-oxohexadecyl)-L-lysinate
cas: 61745-59-3
dtxsid: DTXSID60977325
formula: C22H44N2O3
inchikey: FHEHWZQHWQWFIX-WQXCQFITSA-L
norman_susdat_id: NS00053051
pubchem_cid: 326260
smiles: [Zn+2].O=C(NCCCCC(N)C(=O)[O-])CCCCCCCCCCCCCCC.O=C(NCCCCC(N)C(=O)[O-])CCCCCCCCCCCCCCC
inchi:
InChI=1/2C22H44N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-19-16-15-17-20(23)22(26)27;/h2*20H,2-19,23H2,1H3,(H,24,25)(H,26,27);/q;;+2/p-2


name: Zinc(2+) N6-(1-oxotetradecyl)-L-lysinate
cas: 61745-60-6
formula: C20H40N2O3.1/2Zn
inchikey: JLELLFNGLANKGM-IJBYHFJWSA-L
norman_susdat_id: NS00086896
smiles: [Zn+2].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-]
inchi:
InChI=1/2C20H40N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25;/h2*18H,2-17,21H2,1H3,(H,22,23)(H,24,25);/q;;+2/p-2


name: Zinc bis(N6-lauroyl-L-lysinate)
cas: 61745-61-7
formula: C18H36N2O3.1/2Zn
inchikey: AECQQDXPHBCHJY-WUBQCMAVSA-L
norman_susdat_id: NS00086256
smiles: [Zn+2].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-].CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)[O-]
inchi:
InChI=1/2C18H36N2O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23;/h2*16H,2-15,19H2,1H3,(H,20,21)(H,22,23);/q;;+2/p-2


name: Tetrakis(acetoxydibutylstannyloxy)silane
cas: 61746-04-1
dtxsid: DTXSID70210750
formula: C40H84O12SiSn4
inchikey: PPDNJQIZRKFFNJ-UHFFFAOYSA-J
norman_susdat_id: NS00053902
pubchem_cid: NA
inchi:
InChI=1/8C4H9.4C2H4O2.O4Si.4Sn/c8*1-3-4-2;4*1-2(3)4;1-5(2,3)4;;;;/h8*1,3-4H2,2H3;4*1H3,(H,3,4);;;;;/q;;;;;;;;;;;;-4;4*+2/p-4/rC40H84O12SiSn4/c1-13-21-29-54(30-22-14-2,45-37(9)41)49-53(50-55(31-23-15-3,32-24-16-4)46-38(10)42,51-56(33-25-17-5,34-26-18-6)47-39(11)43)52-57(35-27-19-7,36-28-20-8)48-40(12)44/h13-36H2,1-12H3

smiles:
O=C(O[Sn](O[Si](O[Sn](OC(=O)C)(CCCC)CCCC)(O[Sn](OC(=O)C)(CCCC)CCCC)O[Sn](OC(=O)C)(CCCC)CCCC)(CCCC)CCCC)C


name: 2,2'-Dithiobis(4-tert-butyl-1-isopropyl-1H-imidazole)
cas: 61747-35-1
chemspiderid: 90911
dtxsid: DTXSID30210751
formula: C20H34N4S2
inchikey: UACGDGTZNFKYQI-UHFFFAOYSA-N
norman_susdat_id: NS00034780
pubchem_cid: 100618
smiles: CC(C)n1cc(nc1SSc1nc(cn1C(C)C)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C20H34N4S2/c1-13(2)23-11-15(19(5,6)7)21-17(23)25-26-18-22-16(20(8,9)10)12-24(18)14(3)4/h11-14H,1-10H3


name: Ammonium 7-[(1,3-dioxobutyl)amino]-3-hydroxynaphthalene-1-sulphonate
cas: 61750-18-3
formula: C14H13NO6S.H3N
inchikey: BTSOJXVXOFADOB-UHFFFAOYSA-N
norman_susdat_id: NS00086257
smiles: [NH4+].CC(=O)CC(=O)Nc1ccc2cc(O)cc(c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H13NO6S.H3N/c1-8(16)4-14(18)15-10-3-2-9-5-11(17)7-13(12(9)6-10)22(19,20)21;/h2-3,5-7,17H,4H2,1H3,(H,15,18)(H,19,20,21);1H3


name: SODIUM TRIDECETH-3 CARBOXYLATE
cas: 61757-59-3
chemspiderid: 55950
formula: C17H34O4
inchikey: YZSYVEVDNXPMQU-UHFFFAOYSA-N
norman_susdat_id: NS00014092
pubchem_cid: 62114
smiles: [Na+].CCCCCCCCCCCCCOCCOCC([O-])=O
inchi:
InChI=1S/C17H34O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-14-15-21-16-17(18)19;/h2-16H2,1H3,(H,18,19);/q;+1/p-1


name: 1-hexyl-1,2,3,4-tetrahydro-4-methylnaphthalene
cas: 61761-60-2
dtxsid: DTXSID40977343
formula: C17H26
inchikey: XCSDINDHUIGPQU-UHFFFAOYSA-N
norman_susdat_id: NS00052937
pubchem_cid: 3017282
smiles: C=1C=CC2=C(C1)C(C)CCC2CCCCCC
inchi:
InChI=1/C17H26/c1-3-4-5-6-9-15-13-12-14(2)16-10-7-8-11-17(15)16/h7-8,10-11,14-15H,3-6,9,12-13H2,1-2H3


name: 1,2,3,4-tetrahydro-1-methyl-4-octylnaphthalene
cas: 61761-65-7
dtxsid: DTXSID00977344
formula: C19H30
inchikey: FKIZLIIRNPNBRY-UHFFFAOYSA-N
norman_susdat_id: NS00053904
pubchem_cid: 3017283
smiles: C=1C=CC2=C(C1)C(C)CCC2CCCCCCCC
inchi:
InChI=1/C19H30/c1-3-4-5-6-7-8-11-17-15-14-16(2)18-12-9-10-13-19(17)18/h9-10,12-13,16-17H,3-8,11,14-15H2,1-2H3


name: N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
cas: 61764-60-1
dtxsid: DTXSID20576434
formula: C17H19N
inchikey: HLOCJJORRHQDKS-NVXWUHKLSA-N
norman_susdat_id: NS00070923
pubchem_cid: 10060088
smiles: CN[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1
inchi:
InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3/t15-,17-/m1/s1


name: 5-[3-(cyclopentyloxy)-4-methoxyphenyl]-3-[(3-methylphenyl)methyl]piperidin-2-one
cas: 617720-02-2
dtxsid: DTXSID70893926
formula: C25H31NO3
inchikey: ABEJDMOBAFLQNJ-NHCUHLMSSA-N
norman_susdat_id: NS00070328
pubchem_cid: 9865375
smiles: COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1
inchi:
InChI=1S/C25H31NO3/c1-17-6-5-7-18(12-17)13-20-14-21(16-26-25(20)27)19-10-11-23(28-2)24(15-19)29-22-8-3-4-9-22/h5-7,10-12,15,20-22H,3-4,8-9,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1


name: [(p-nonylphenoxy)methyl]oxirane
cas: 6178-32-1
dtxsid: DTXSID10977355
formula: C18H28O2
inchikey: AVKQYWUBGXNBCW-UHFFFAOYSA-N
norman_susdat_id: NS00044155
pubchem_cid: 61374
smiles: O(C1=CC=C(C=C1)CCCCCCCCC)CC2OC2
inchi:
InChI=1/C18H28O2/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-14-18-15-20-18/h10-13,18H,2-9,14-15H2,1H3


name: Estra-1,3,5(10),7-tetraene-3,17alpha-diol diacetate
cas: 61786-04-7
chemspiderid: 4956605
dtxsid: DTXSID20210785
formula: C22H26O4
inchikey: ZAGLOMJROUNZHS-ZDFPQIBNSA-N
norman_susdat_id: NS00034793
pubchem_cid: 6454273
smiles: CC(=O)O[C@@H]1CC[C@H]2C3=CCc4c(ccc(OC(=O)C)c4)[C@H]3CC[C@]12C
inchi:
InChI=1S/C22H26O4/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/h5-7,12,18,20-21H,4,8-11H2,1-3H3/t18-,20+,21-,22+/m1/s1


name: Technical polychlorinated alkanes products (Alkanes, chloro)
cas: 61788-76-9
chemspiderid: 17215479
formula: C20H34Cl8
inchikey: GHPXWFDSOBCWEE-UHFFFAOYSA-N
norman_susdat_id: NS00007142
pubchem_cid: 22833341
smiles: CCCC(Cl)CCC(Cl)CC(Cl)C(Cl)CCC(Cl)CCC(Cl)C(Cl)CC(C)Cl
inchi:
InChI=1S/C20H34Cl8/c1-3-4-14(22)5-6-16(24)12-20(28)18(26)10-8-15(23)7-9-17(25)19(27)11-13(2)21/h13-20H,3-12H2,1-2H3


name: LARD GLYCERIDE
cas: 61789-10-4
chemspiderid: 2342174
formula: C21H42O5
inchikey: VWBHJJNWHBJGKS-UHFFFAOYSA-N
norman_susdat_id: NS00013809
pubchem_cid: 3085226
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(O)C(O)CO
inchi:
InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)26-21(25)19(23)18-22/h19,21-23,25H,2-18H2,1H3


cas: 61789-18-2
dtxsid: DTXSID6048044
norman_susdat_id: NS00094867
name:
Quaternary ammonium compounds (alkyltrimethyl (alkyl from C8-C18, saturated and unsaturated, and tallow alkyl, coco alkyl, and soya alkyl) chlorides, bromides, or methylsulphates)


cas: 61789-40-0
dtxsid: DTXSID6028072
norman_susdat_id: NS00075874
name:
1-Propanaminium, 3-amino-N-(carboxymethyl)-N,N-dimethyl-, N-coco acyl derivs., hydroxides, inner salts


name: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxooctadecyl)amino]-, inner salt
cas: 6179-44-8
chemspiderid: 72555
dtxsid: DTXSID9064132
formula: C25H51N2O3
inchikey: QVRMIJZFODZFNE-UHFFFAOYSA-O
norman_susdat_id: NS00014111
pubchem_cid: 80318
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C25H50N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h4-23H2,1-3H3,(H-,26,28,29,30)


name: soytrimonium
cas: 61790-41-8
chemspiderid: NA
formula: C37H78N1
inchikey: AAQQQANWRDBTMT-UHFFFAOYSA-N
norman_susdat_id: NS00003852
pubchem_cid: 88533232
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C37H78N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38(3,4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-37H2,1-4H3/q+1


cas: 61791-77-3
formula: C26H28N3.CH3O4S
inchikey: WFRQCOKYLNHLRB-UHFFFAOYSA-M
norman_susdat_id: NS00086457
smiles: COS(=O)(=O)[O-].CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1
name:
6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)vinyl]-1-methylquinolinium methyl sulphate

inchi:
InChI=1/C26H28N3.CH4O4S/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;1-5-6(2,3)4/h6-18H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: (2-hydroxy-1-methyl-2,3-diphenylpropyl)ammonium (1S)-2-oxobornane-10-sulphonate
cas: 61791-79-5
dtxsid: DTXSID40977363
formula: C16H19NO
inchikey: VONVNOMDXZAJFC-FHIDHQGESA-N
norman_susdat_id: NS00053346
pubchem_cid: 20841925
smiles: O=C1CC2CCC1(CS(=O)(=O)[O-])C2(C)C.OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)[NH3+]
inchi:
InChI=1/C16H19NO.C10H16O4S/c1-13(17)16(18,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-11,13,18H,12,17H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)


cas: 61791-80-8
chemspiderid: 17287984
dtxsid: DTXSID2069496
formula: C56H32N4O8
inchikey: LRYVEFGQDRLDPG-UHFFFAOYSA-N
norman_susdat_id: NS00034795
pubchem_cid: 16131274
name:
Benzamide, N,N'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-

inchi:
InChI=1S/C56H32N4O8/c61-49-31-17-7-8-18-32(31)50(62)48-42(58-38-24-10-20-34-44(38)52(64)36-22-12-26-40(46(36)54(34)66)60-56(68)30-15-5-2-6-16-30)28-27-41(47(48)49)57-37-23-9-19-33-43(37)51(63)35-21-11-25-39(45(35)53(33)65)59-55(67)29-13-3-1-4-14-29/h1-28,57-58H,(H,59,67)(H,60,68)

smiles:
O=C(Nc1cccc2c1C(=O)c1c(c(Nc3ccc(Nc4cccc5c4C(=O)c4c(c(NC(=O)c6ccccc6)ccc4)C5=O)c4c3C(=O)c3c(cccc3)C4=O)ccc1)C2=O)c1ccccc1


name: 3-oxo-3-phenyl-N-[4-[[(p-tolyl)sulphonyl]amino]phenyl]propionamide
cas: 61791-82-0
dtxsid: DTXSID00977364
formula: C22H20N2O4S
inchikey: WNXSUQCWAVWWEE-UHFFFAOYSA-N
norman_susdat_id: NS00052875
pubchem_cid: 3017284
smiles: O=C(NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C)CC(=O)C=3C=CC=CC3
inchi:
InChI=1/C22H20N2O4S/c1-16-7-13-20(14-8-16)29(27,28)24-19-11-9-18(10-12-19)23-22(26)15-21(25)17-5-3-2-4-6-17/h2-14,24H,15H2,1H3,(H,23,26)


name: Sodium 1-methyl 10-sulphooctadecanoate
cas: 61791-91-1
dtxsid: DTXSID60977365
formula: C19H38O5S
inchikey: QCQYSGXYMTXIGH-UHFFFAOYSA-N
norman_susdat_id: NS00053347
pubchem_cid: 103481
smiles: [Na+].O=C(OC)CCCCCCCCC(CCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C19H38O5S.Na/c1-3-4-5-6-9-12-15-18(25(21,22)23)16-13-10-7-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1


name: Ditridecyl (2Z)-2-butenedioate
cas: 61791-92-2
chemspiderid: 4940989
dtxsid: DTXSID20893557
formula: C30H56O4
inchikey: DFKBFBPHOGVNGQ-UHFFFAOYSA-N
norman_susdat_id: NS00001164
pubchem_cid: 81304
smiles: CCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C30H56O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-33-29(31)25-26-30(32)34-28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24,27-28H2,1-2H3


name: .beta.-Alanine, N-tetradecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
cas: 61791-98-8
chemspiderid: 2285053
dtxsid: DTXSID80886460
formula: C17H35N1O2
inchikey: OGRCQGKJWFJROA-UHFFFAOYSA-N
norman_susdat_id: NS00014147
pubchem_cid: 3017286
smiles: CCCCCCCCCCCCCCOC(=O)C(C)N.OCCN(CCO)CCO
inchi:
InChI=1S/C17H35NO2.C6H15NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16(2)18;8-4-1-7(2-5-9)3-6-10/h16H,3-15,18H2,1-2H3;8-10H,1-6H2


name: [(2-hydroxyethyl)amino]phenylmercury acetate
cas: 61792-06-1
formula: C10H13HgNO2
inchikey: JKDGLOZFFSHVDZ-UHFFFAOYSA-N
norman_susdat_id: NS00086458
smiles: CC(=O)OCCN[Hg]c1ccccc1
inchi:
InChI=1/C6H5.C4H8NO2.Hg/c1-2-4-6-5-3-1;1-4(6)7-3-2-5;/h1-5H;5H,2-3H2,1H3;/q;-1;+1/rC10H13HgNO2/c1-9(13)14-8-7-12-11-10-5-3-2-4-6-10/h2-6,12H,7-8H2,1H3


cas: 61792-09-4
dtxsid: DTXSID5029768
inchikey: DUYCTCQXNHFCSJ-UHFFFAOYSA-I
norman_susdat_id: NS00076479
smiles: C(CN(CCN(CP(=O)(O)[O-])CP(=O)(O)[O-])CP(=O)(O)[O-])N(CP(=O)(O)[O-])CP(=O)(O)[O-]
name:
Pentasodium pentahydrogen [[(phosphonatomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate

inchi:
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/p-5


name: 17-(4,5-dihydro-1H-imidazol-2-yl)heptadec-9-en-7-ol
cas: 61792-30-1
dtxsid: DTXSID00977369
formula: C20H38N2O
inchikey: UCTKELURUYVOGP-UHFFFAOYSA-N
norman_susdat_id: NS00052892
pubchem_cid: 112447
smiles: OC(CC=CCCCCCCCC1=NCCN1)CCCCCC
inchi:
InChI=1/C20H38N2O/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-20-21-17-18-22-20/h9,12,19,23H,2-8,10-11,13-18H2,1H3,(H,21,22)


name: (2-hydroxyethyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium methyl sulphate
cas: 61792-35-6
formula: C25H53N2O2.CH3O4S
inchikey: JOQAQKBSXCRNFW-UHFFFAOYSA-N
norman_susdat_id: NS00086418
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO.COS(=O)(=O)[O-]
inchi:
InChI=1/C25H52N2O2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;1-5-6(2,3)4/h28H,4-24H2,1-3H3;1H3,(H,2,3,4)


name: Ammonium 3-octyloxiran-2-octanoate
cas: 61792-39-0
formula: C18H34O3.H3N
inchikey: QEJJTNVKOQFTEP-UHFFFAOYSA-N
norman_susdat_id: NS00087135
smiles: [NH4+].CCCCCCCCC1OC1CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O3.H3N/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h16-17H,2-15H2,1H3,(H,19,20);1H3


name: Sodium O,O-bis(methylphenyl) dithiophosphate
cas: 61792-48-1
formula: C14H15O2PS2.Na
inchikey: UVBFFTCXSYRBPU-UHFFFAOYSA-M
norman_susdat_id: NS00086168
smiles: [Na+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C
inchi:
InChI=1/C14H15O2PS2.Na/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);/q;+1/p-1


name: 3-ethyl 5-(1-carboxy-1-phenylethoxy)-1-isobutyl-2-methyl-1H-indole-3-carboxylate
cas: 61793-29-1
dtxsid: DTXSID90977373
formula: C25H29NO5
inchikey: PXJDUYLPFXNLEB-UHFFFAOYSA-N
norman_susdat_id: NS00052923
pubchem_cid: 3017289
smiles: O=C(OCC)C=1C=2C=C(OC(C(=O)O)(C=3C=CC=CC3)C)C=CC2N(C1C)CC(C)C
inchi:
InChI=1/C25H29NO5/c1-6-30-23(27)22-17(4)26(15-16(2)3)21-13-12-19(14-20(21)22)31-25(5,24(28)29)18-10-8-7-9-11-18/h7-14,16H,6,15H2,1-5H3,(H,28,29)


name: N-((Perfluorooctyl)-1-ethyl)pyridinium 4-methylbenzenesulfonate
cas: 61798-68-3
chemspiderid: 101039
dtxsid: DTXSID4069501
formula: C15H9F17N1
inchikey: OKKXTBAGCBQRJU-UHFFFAOYSA-N
norman_susdat_id: NS00011405
pubchem_cid: 112729
inchi:
InChI=1S/C15H9F17N.C7H8O3S/c16-8(17,4-7-33-5-2-1-3-6-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1

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


name: N-(2-Carboxyethyl)-N,N-dimethyl-3-[[(perfluorohexyl)ethylsulfonyl]amino]propanaminium
cas: 61798-69-4
chemspiderid: 101041
dtxsid: DTXSID9069502
formula: C16H22F13N2O4S1
inchikey: STSGGDGRBYWSDX-UHFFFAOYSA-N
norman_susdat_id: NS00011052
pubchem_cid: 112730
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+](CCC([O-])=O)(C)C
inchi:
InChI=1S/C16H21F13N2O4S/c1-31(2,8-4-10(32)33)7-3-6-30-36(34,35)9-5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h30H,3-9H2,1-2H3


name: Sulfarsphenamine
cas: 618-82-6
formula: C14H16As2N2O8S2.2Na
inchikey: BPRGSDPGYCSOSJ-UHFFFAOYSA-L
norman_susdat_id: NS00079459
smiles: [Na+].[Na+].Oc1ccc(cc1NCS([O-])(=O)=O)[As]=[As]c2ccc(O)c(NCS([O-])(=O)=O)c2
inchi:
InChI=1/C14H16As2N2O8S2.2Na/c19-13-3-1-9(5-11(13)17-7-27(21,22)23)15-16-10-2-4-14(20)12(6-10)18-8-28(24,25)26;;/h1-6,17-20H,7-8H2,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: ETHYLHEXYL ACETOXYS- TEARATE
cas: 61800-40-6
chemspiderid: 2285057
formula: C28H54O4
inchikey: DDGZCTKMHAYRKN-UHFFFAOYSA-N
norman_susdat_id: NS00013670
pubchem_cid: 3017290
smiles: CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)CCCC)OC(C)=O
inchi:
InChI=1S/C28H54O4/c1-5-8-10-17-21-27(32-25(4)29)22-18-15-13-11-12-14-16-19-23-28(30)31-24-26(7-3)20-9-6-2/h26-27H,5-24H2,1-4H3


name: Phenethyl decanoate
cas: 61810-55-7
chebiid: CHEBI:171731
chemspiderid: 101044
dtxsid: DTXSID80210807
formula: C18H28O2
inchikey: DDMQLUJPAGWJOB-UHFFFAOYSA-N
norman_susdat_id: NS00022518
pubchem_cid: 112733
smiles: CCCCCCCCCC(=O)OCCc1ccccc1
inchi:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-11-14-18(19)20-16-15-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3


name: Voriconazole N-Oxide
cas: 618109-05-0
chemspiderid: 22547350
dtxsid: DTXSID90434719
formula: C16H14F3N5O2
inchikey: KPLFPLUCFPRUHU-UHFFFAOYSA-N
norman_susdat_id: NS00002085
pubchem_cid: 75086480
smiles: CC(c1nc[n+]([O-])cc1F)C(O)(Cn1cncn1)c1ccc(F)cc1F
inchi:
InChI=1S/C16H14F3N5O2/c1-10(15-14(19)5-24(26)9-21-15)16(25,6-23-8-20-7-22-23)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3


name: Benzenamine, N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-
cas: 61813-43-2
chemspiderid: 101045
dtxsid: DTXSID9069504
formula: C16H16Cl2N4O2
inchikey: FEQBFCBDBGMWRO-UHFFFAOYSA-N
norman_susdat_id: NS00034800
pubchem_cid: 112734
smiles: CCN(CCCl)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H16Cl2N4O2/c1-2-21(10-9-17)13-5-3-12(4-6-13)19-20-16-8-7-14(22(23)24)11-15(16)18/h3-8,11H,2,9-10H2,1H3/b20-19-


name: 1H-Benzimidazole-5-sulfonic acid, 2-(4-nitrophenyl)-1-octadecyl-
cas: 61813-45-4
chemspiderid: 4588740
dtxsid: DTXSID4069505
formula: C31H45N3O5S1
inchikey: IKTATFPKRSYODN-UHFFFAOYSA-N
norman_susdat_id: NS00034801
pubchem_cid: 45789497
smiles: CCCCCCCCCCCCCCCCCCn1c2c(cc(cc2)S(=O)(=O)[O-])[nH+]c1c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C31H45N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-30-23-22-28(40(37,38)39)25-29(30)32-31(33)26-18-20-27(21-19-26)34(35)36/h18-23,25H,2-17,24H2,1H3,(H,37,38,39)


name: 2-Naphthalenol, 5-amino-8-(phenylazo)-
cas: 61813-46-5
chemspiderid: 7851050
dtxsid: DTXSID9069506
formula: C16H13N3O1
inchikey: ZWXQXQSSUBQHNL-UHFFFAOYSA-N
norman_susdat_id: NS00034802
pubchem_cid: NA
smiles: NC1=C2C=CC(=O)C=C2/C(=N/Nc2ccccc2)/C=C1
inchi:
InChI=1S/C16H13N3O/c17-15-8-9-16(14-10-12(20)6-7-13(14)15)19-18-11-4-2-1-3-5-11/h1-10,18H,17H2/b19-16+


name: 2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium hydrogen sulphate
cas: 61813-49-8
formula: C18H28N3O3.HO4S
inchikey: MPZBCLQOOAHAPQ-UHFFFAOYSA-L
norman_susdat_id: NS00086453
smiles: CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C18H28N3O3.H2O4S/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-5(2,3)4/h13-14H,3-12H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2


name: Octadecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dienoate
cas: 61813-52-3
dtxsid: DTXSID80893558
formula: C52H96O8Sn
inchikey: WHWTUCZRUDXTMZ-YPKQJYFLSA-L
norman_susdat_id: NS00052945
pubchem_cid: 57356705
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C22H40O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-57-49(53)41-43-51(55)59-61(47-11-7-3,48-12-8-4)60-52(56)44-42-50(54)58-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h41-44H,5-40,45-48H2,1-4H3


name: Propylene distearate
cas: 6182-11-2
dtxsid: DTXSID10977390
formula: C39H76O4
inchikey: JEMDXOYRWHZUCG-UHFFFAOYSA-N
norman_susdat_id: NS00044238
pubchem_cid: 110800
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3


name: Oxaliplatin
cas: 61825-94-3
dtxsid: DTXSID0036760
formula: C8H12N2O4Pt
inchikey: DWAFYCQODLXJNR-BNTLRKBRSA-L
norman_susdat_id: NS00075364
smiles: O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O
inchi:
InChI=1S/C6H12N2.C2H2O4.Pt/c7-5-3-1-2-4-6(5)8;3-1(4)2(5)6;/h5-8H,1-4H2;(H,3,4)(H,5,6);/q-2;;+4/p-2/t5-,6-;;/m1../s1


name: Imperialine
cas: 61825-98-7
chemspiderid: 442977
formula: C27H43NO3
inchikey: IQDIERHFZVCNRZ-LRCDAWNTSA-N
norman_susdat_id: NS00094271
pubchem_cid: 391280
smiles:
C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O


name: (2S)-1,3,4,5,6,7Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-
cas: 61826-52-6
chemspiderid: 101049
formula: C17H26O2
inchikey: JQKOBLAHVJOOFB-UHFFFAOYSA-N
norman_susdat_id: NS00012555
pubchem_cid: 73555928
smiles: CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)COC=O
inchi:
InChI=1S/C17H26O2/c1-15(2)7-5-12(10-19-11-18)14-16(3,4)13-6-8-17(14,15)9-13/h11,13H,5-10H2,1-4H3/t13-,17?/m0/s1


name: 2H-2,4a-Methanonaphthalene-8-methanol, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S,4aR)-
cas: 61826-53-7
chemspiderid: 101050
dtxsid: DTXSID50885925
formula: C16H26O1
inchikey: SQQNKCAPKQIRBP-UHFFFAOYSA-N
norman_susdat_id: NS00012553
pubchem_cid: 14543883
smiles: CC1(C)CCC(=C2C(C)(C)[C@H]3CCC12C3)CO
inchi:
InChI=1S/C16H26O/c1-14(2)7-5-11(10-17)13-15(3,4)12-6-8-16(13,14)9-12/h12,17H,5-10H2,1-4H3/t12-,16?/m0/s1


name: (2S)-1,3,4,5,6,7-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalene-8-
cas: 61826-56-0
chemspiderid: 101052
formula: C18H28O2
inchikey: WKKCENUZQQZVOF-UHFFFAOYSA-N
norman_susdat_id: NS00012554
pubchem_cid: 14543882
smiles: CC(=O)OCC1=C2C(C)(C)[C@H]3CCC2(C3)C(C)(C)CC1
inchi:
InChI=1S/C18H28O2/c1-12(19)20-11-13-6-8-16(2,3)18-9-7-14(10-18)17(4,5)15(13)18/h14H,6-11H2,1-5H3/t14-,18?/m0/s1


name: Tetrasodium tetrahydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 61827-49-4
formula: C6H20N2O12P4.4Na
inchikey: HWBBOUHGZNBHSW-UHFFFAOYSA-F
norman_susdat_id: NS00087185
smiles: [Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H20N2O12P4.4Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;/q;4*+1/p-8


name: 1,2-Benzenedicarboxylic acid, hexyl octyl ester
cas: 61827-62-1
chemspiderid: 101053
dtxsid: DTXSID9069508
formula: C22H34O4
inchikey: LZCTXAGBGKLUBX-UHFFFAOYSA-N
norman_susdat_id: NS00034805
pubchem_cid: 112746
smiles: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
inchi:
InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3


name: 2-ethylhexyl 2-methylpropyl phthalate
cas: 61827-64-3
dtxsid: DTXSID70885927
formula: C20H30O4
inchikey: GEWZPNMYMLQKGF-UHFFFAOYSA-N
norman_susdat_id: NS00053466
pubchem_cid: 95524
smiles: O=C(OCC(C)C)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C20H30O4/c1-5-7-10-16(6-2)14-24-20(22)18-12-9-8-11-17(18)19(21)23-13-15(3)4/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3


name: N-[4-[[8-(acetylamino)-2-hydroxy-1-naphthyl]azo]-5-hydroxy-2-nitrophenyl]acetamide
cas: 61827-66-5
formula: C20H18N5O6
inchikey: NGDOBUQWZXWXOP-UHFFFAOYSA-N
norman_susdat_id: NS00052946
pubchem_cid: 135666489
smiles: O=C(NC=1C=CC=C2C=CC(O)=C(N=NC=3C=C(C(=CC3O)NC(=O)C)[N+](=O)[O-])C21)C
inchi:
InChI=1/C20H17N5O6/c1-10(26)21-13-5-3-4-12-6-7-17(28)20(19(12)13)24-23-15-8-16(25(30)31)14(9-18(15)29)22-11(2)27/h3-9,28-29H,1-2H3,(H,21,26)(H,22,27)


name: 4-(1-methyl-1-phenylethyl)-2-(phenylazo)phenol
cas: 61827-72-3
formula: C21H20N2O
inchikey: GVMFWMBAYSJHFF-UHFFFAOYSA-N
norman_susdat_id: NS00054247
pubchem_cid: 112752
smiles: OC1=CC=C(C=C1N=NC=2C=CC=CC2)C(C=3C=CC=CC3)(C)C
inchi:
InChI=1/C21H20N2O/c1-21(2,16-9-5-3-6-10-16)17-13-14-20(24)19(15-17)23-22-18-11-7-4-8-12-18/h3-15,24H,1-2H3


name: 2-[(2-amino-5-hydroxy-7-sulpho-1-naphthyl)azo]-5-nitrobenzoic acid
cas: 61827-73-4
formula: C17H13N4O8S
inchikey: IDBOAWWVNVRVHH-UHFFFAOYSA-N
norman_susdat_id: NS00053415
pubchem_cid: 105675
smiles: O=C(O)C1=CC(=CC=C1N=NC2=C(N)C=CC3=C(O)C=C(C=C23)S(=O)(=O)O)[N+](=O)[O-]
inchi:
InChI=1/C17H12N4O8S/c18-13-3-2-10-11(6-9(7-15(10)22)30(27,28)29)16(13)20-19-14-4-1-8(21(25)26)5-12(14)17(23)24/h1-7,22H,18H2,(H,23,24)(H,27,28,29)


name: 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-5-methoxy-2-methylphenyl)azo]-
cas: 61827-75-6
chemspiderid: 95472
dtxsid: DTXSID3069510
formula: C18H17N3O7S2
inchikey: DCVDDHNAUZKOGX-UHFFFAOYSA-N
norman_susdat_id: NS00034807
pubchem_cid: 105952
smiles: COc1cc(N=Nc2cc3c(cccc3c(c2)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1N
inchi:
InChI=1S/C18H17N3O7S2/c1-10-6-14(19)16(28-2)9-15(10)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)/b21-20-


name: 7-[(4-aminophenyl)azo]naphthalene-1,3-disulphonic acid
cas: 61827-77-8
formula: C16H13N3O6S2
inchikey: QSKBOKGWPXTVNO-UHFFFAOYSA-N
norman_susdat_id: NS00086197
smiles: OS(=O)(=O)c2cc(cc3ccc(N=Nc1ccc(N)cc1)cc23)S(O)(=O)=O
inchi:
InChI=1/C16H13N3O6S2/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25/h1-9H,17H2,(H,20,21,22)(H,23,24,25)


name: Vorapaxar
cas: 618385-01-6
chebiid: CHEBI:82702
dtxsid: DTXSID201009336
formula: C29H33FN2O4
inchikey: ZBGXUVOIWDMMJE-QHNZEKIYSA-N
norman_susdat_id: NS00069583
pubchem_cid: 10077130
smiles: CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1
inchi:
InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1


name: (2R)-2-Ethylhexyl (2R)-2-(2,4-dichlorophenoxy)propanoate
cas: 618446-52-9
chemspiderid: 34983465
dtxsid: DTXSID2034253
formula: C17H24Cl2O3
inchikey: CEEDFYRUPAWDOU-CHWSQXEVSA-N
norman_susdat_id: NS00034812
pubchem_cid: 71391749
smiles: CCCC[C@@H](CC)COC(=O)[C@@H](C)Oc1c(Cl)cc(Cl)cc1
inchi:
InChI=1S/C17H24Cl2O3/c1-4-6-7-13(5-2)11-21-17(20)12(3)22-16-9-8-14(18)10-15(16)19/h8-10,12-13H,4-7,11H2,1-3H3/t12-,13-/m1/s1


cas: 61847-48-1
dtxsid: DTXSID7042148
formula: C33H24Cl2N4O6
inchikey: MERWBGHMSXDWBM-UHFFFAOYSA-N
norman_susdat_id: NS00055669
pubchem_cid: NA
smiles: O=C(OC)C1=CC=C(C=C1N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OC)C(=O)NC5=CC(Cl)=CC=C5Cl
name:
Methyl 4-[[(2,5-dichlorophenyl)amino]carbonyl]-2-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]benzoate

inchi:
InChI=1/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)


name: PPG-10 METHYL GLUCOSE ETHER
cas: 61849-72-7
chemspiderid: 91978
formula: C7H14O6
inchikey: HOVAGTYPODGVJG-UHFFFAOYSA-N
norman_susdat_id: NS00014002
pubchem_cid: 2108
smiles: CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.CC(O)COC(C)CO.CC(O)COC(C)CO.CC(O)COC(C)CO.CC(O)COC(C)CO
inchi:
InChI=1S/C7H14O6.4C6H14O3/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;4*1-5(8)4-9-6(2)3-7/h3-11H,2H2,1H3;4*5-8H,3-4H2,1-2H3/t3-,4-,5+,6-,7-;;;;/m1..../s1


cas: 61853-30-3
formula: C19H20ClN3.C11H22O2
inchikey: WVZNTANSGMGXOL-UHFFFAOYSA-N
norman_susdat_id: NS00087936
smiles: CCCCCCCCCCC(=O)O.Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1
name:
Undecanoic acid, compound with 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (1:1)

inchi:
InChI=1/C19H20ClN3.C11H22O2/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-2-3-4-5-6-7-8-9-10-11(12)13/h1-2,5-10H,3-4,11-14H2;2-10H2,1H3,(H,12,13)


name: Paroxetine
cas: 61869-08-7
chebiid: CHEBI:7936
chemspiderid: 39888
dtxsid: DTXSID3023425
formula: C19H20F1N1O3
inchikey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
norman_susdat_id: NS00000037
pubchem_cid: 43815
smiles: c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
inchi:
InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1


name: Heptanamide, N,N-diethyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
cas: 61881-15-0
dtxsid: DTXSID10402617
formula: C11H10F13NO
inchikey: OUULXEWNDSSVGI-UHFFFAOYSA-N
norman_susdat_id: NS00109162
smiles: CCN(CC)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F13NO/c1-3-25(4-2)5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3-4H2,1-2H3


name: 1-Benzyl-4-phenylpiperidine-4-carboxylic acid
cas: 61886-17-7
chemspiderid: 87190
dtxsid: DTXSID50210874
formula: C19H21N1O2
inchikey: RYTBNRKHWAWLPQ-UHFFFAOYSA-N
norman_susdat_id: NS00034825
pubchem_cid: 96576
smiles: OC(=O)C1(CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C19H21NO2/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,22)


name: 3-[[4-[(4-hydroxyphenyl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonic acid
cas: 61886-19-9
formula: C20H18N4O6S
inchikey: MIXWIPPKIPRDEA-UHFFFAOYSA-N
norman_susdat_id: NS00055690
pubchem_cid: 110419
smiles: O=S(=O)(O)C=1C=CC=C(N=NC2=CC(OC)=C(N=NC3=CC=C(O)C=C3)C=C2OC)C1
inchi:
InChI=1/C20H18N4O6S/c1-29-19-12-18(24-22-14-4-3-5-16(10-14)31(26,27)28)20(30-2)11-17(19)23-21-13-6-8-15(25)9-7-13/h3-12,25H,1-2H3,(H,26,27,28)


name: Octadec-9-enyl hydrogen sulphate, compound with 2-(diethylamino)ethanol (1:1)
cas: 61886-46-2
formula: C18H36O4S.C6H15NO
inchikey: IHDPKWOISNDGOV-UHFFFAOYSA-N
norman_susdat_id: NS00087974
smiles: CCN(CC)CCO.OS(=O)(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H36O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-7(4-2)5-6-8/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);8H,3-6H2,1-2H3


name: 1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(1-oxononyl)amino]-, ethyl sulfate
cas: 61886-48-4
chemspiderid: 101073
dtxsid: DTXSID7069520
formula: C16H35N2O1
inchikey: FUEUCPLQWIAPHG-UHFFFAOYSA-O
norman_susdat_id: NS00013781
pubchem_cid: 112768
smiles: CCCCCCCCC(=O)NCCC[N+](C)(C)CC.CCO[S]([O-])(=O)=O
inchi:
InChI=1S/C16H34N2O.C2H6O4S/c1-5-7-8-9-10-11-13-16(19)17-14-12-15-18(3,4)6-2;1-2-6-7(3,4)5/h5-15H2,1-4H3;2H2,1H3,(H,3,4,5)


cas: 61886-54-2
chemspiderid: 97932
dtxsid: DTXSID2069521
formula: C21H15Br1N2O5S1
inchikey: SHONRZHXNYRHLZ-UHFFFAOYSA-N
norman_susdat_id: NS00034829
pubchem_cid: 112769
smiles: Cc1cccc(Nc2cc(Br)c(N)c3c2C(=O)c2c(cccc2)C3=O)c1S(=O)(=O)O
name:
Benzenesulfonic acid, 2(or 5)-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-5(or 2)-methyl-

inchi:
InChI=1S/C21H15BrN2O5S/c1-10-5-4-8-14(21(10)30(27,28)29)24-15-9-13(22)18(23)17-16(15)19(25)11-6-2-3-7-12(11)20(17)26/h2-9,24H,23H2,1H3,(H,27,28,29)


name: TEA-TRIDECYLBENZENE- SULFONATE
cas: 61886-59-7
chemspiderid: 150864
formula: C19H32O3S1
inchikey: PVXSFEGIHWMAOD-UHFFFAOYSA-N
norman_susdat_id: NS00014148
pubchem_cid: 172719
smiles: CCCCCCCCCCCCCc1ccccc1[S]([O-])(=O)=O.OCCN(CCO)CCO
inchi:
InChI=1S/C19H32O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22;8-4-1-7(2-5-9)3-6-10/h13-14,16-17H,2-12,15H2,1H3,(H,20,21,22);8-10H,1-6H2/p-1


name: Isodecyl tridecyl phthalate
cas: 61886-60-0
chemspiderid: 101075
dtxsid: DTXSID7069522
formula: C31H52O4
inchikey: TYLLMRSWXAGLFH-UHFFFAOYSA-N
norman_susdat_id: NS00034830
pubchem_cid: 112770
smiles: CCCCCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-11-12-15-20-25-34-30(32)28-23-18-19-24-29(28)31(33)35-26-21-16-13-14-17-22-27(2)3/h18-19,23-24,27H,4-17,20-22,25-26H2,1-3H3


name: Amonafide
cas: 618863-54-0
chebiid: CHEBI:94661
dtxsid: DTXSID30219562
formula: C16H17N3O2
inchikey: UPALIKSFLSVKIS-UHFFFAOYSA-N
norman_susdat_id: NS00069846
pubchem_cid: 50515
smiles: CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
inchi:
InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3


name: Tetrahydrogestrinone
cas: 618903-56-3
dtxsid: DTXSID60210901
formula: C21H28O2
inchikey: OXHNQTSIKGHVBH-ANULTFPQSA-N
norman_susdat_id: NS00067977
smiles: CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12CC
inchi:
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1


cas: 61891-06-3
formula: C34H33N2O4S2
inchikey: UTWDDUSYMGRCJC-UHFFFAOYSA-N
norman_susdat_id: NS00056533
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C(OC=2C=CC(=CC21)C=3C=CC=CC3)=CC(=CC=4SC5=CC=C6C=CC=CC6=C5[N+]4C)CC
name:
1-methyl-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]-1-butenyl]naphtho[1,2-d]thiazolium

inchi:
InChI=1/C34H32N2O4S2/c1-4-24(21-33-35(3)34-28-13-9-8-12-26(28)15-17-31(34)41-33)20-32-36(19-18-23(2)42(37,38)39)29-22-27(14-16-30(29)40-32)25-10-6-5-7-11-25/h5-17,20-23H,4,18-19H2,1-3H3


cas: 61891-20-1
formula: C26H31N2O4S2.Br
inchikey: QEKPQVSDOJGSHZ-UHFFFAOYSA-M
norman_susdat_id: NS00088028
smiles: [Br-].OCCC[n+]3c4cc(OC)ccc4sc3C=C(C)C=C2Sc1ccc(cc1N2CCCO)OC
name:
3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium bromide

inchi:
InChI=1/C26H31N2O4S2.BrH/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1


name: 5'-Deoxy-5'-(methylthio)-Tubercidin
cas: 61893-98-9
dtxsid: DTXSID20977442
formula: C12H16N4O3S
inchikey: WBPLMFVTQMIPLW-MFYTUXHUSA-N
norman_susdat_id: NS00069954
pubchem_cid: 188350
smiles: CSC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1


name: Trisodium N-(3-carboxylatoacryloyl)-N-octadecyl-L-aspartate
cas: 61894-02-8
dtxsid: DTXSID20889793
formula: C26H45NO7
inchikey: LPSATXJMGWLRTJ-ABEOOCFOSA-K
norman_susdat_id: NS00055735
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=C([O-])C=CC(=O)N(CCCCCCCCCCCCCCCCCC)C(C(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C26H45NO7.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(28)18-19-24(29)30)22(26(33)34)21-25(31)32;;;/h18-19,22H,2-17,20-21H2,1H3,(H,29,30)(H,31,32)(H,33,34);;;/q;3*+1/p-3


name: Cotarnine phthalate
cas: 6190-36-9
formula: C32H32N2O10
inchikey: LJOMNEPMQLHJID-UHFFFAOYSA-N
norman_susdat_id: NS00080483
smiles: COc1c2OCOc2cc3CCN(C)C(O)c13.OC(=O)c4ccccc4C(=O)O
inchi:
InChI=1/C12H15NO4.C8H6O4/c1-13-4-3-7-5-8-10(17-6-16-8)11(15-2)9(7)12(13)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h5,12,14H,3-4,6H2,1-2H3;1-4H,(H,9,10)(H,11,12)


name: Anthra[1,9-cd]pyrazol-6(2H)-one, 9-chloro-2-[2-(1-methylethyl)-7-oxo-7H-benz[de]anthracen-3-yl]-
cas: 61900-99-0
chemspiderid: 101079
dtxsid: DTXSID7069524
formula: C34H21Cl1N2O2
inchikey: HQYKQKYCFCRGGW-UHFFFAOYSA-N
norman_susdat_id: NS00021253
pubchem_cid: 112774
smiles: CC(C)c1cc2c3c(cccc3c1n1nc3c4c(cccc14)c(=O)c1c3cc(Cl)cc1)C(=O)c1ccccc21
inchi:
InChI=1S/C34H21ClN2O2/c1-17(2)25-16-26-19-7-3-4-8-20(19)33(38)23-10-5-9-22(29(23)26)32(25)37-28-12-6-11-24-30(28)31(36-37)27-15-18(35)13-14-21(27)34(24)39/h3-17H,1-2H3


name: SODIUM LAUROAMPHO- PROPIONATE
cas: 61901-01-7
chemspiderid: 101081
formula: C19H38N2O4
inchikey: AYRGATOZNZYYEE-UHFFFAOYSA-N
norman_susdat_id: NS00014065
pubchem_cid: 112776
smiles: [Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CCC([O-])=O
inchi:
InChI=1S/C19H38N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-18(23)20-13-15-21(16-17-22)14-12-19(24)25;/h22H,2-17H2,1H3,(H,20,23)(H,24,25);/q;+1/p-1


name: Sodium 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionate
cas: 61901-02-8
formula: C19H36N2O3.Na
inchikey: WMHNQWNEMSMZOX-UHFFFAOYSA-M
norman_susdat_id: NS00088029
smiles: [Na+].CCCCCCCCCCCC1=NCCN1CCOCCC(=O)[O-]
inchi:
InChI=1/C19H36N2O3.Na/c1-2-3-4-5-6-7-8-9-10-11-18-20-13-14-21(18)15-17-24-16-12-19(22)23;/h2-17H2,1H3,(H,22,23);/q;+1/p-1


name: 5-oxo-L-proline, compound with (S)-3-(tert-butylamino)propane-1,2-diol (1:1)
cas: 61906-38-5
formula: C7H17NO2.C5H7NO3
inchikey: SYUKFOHBOMZHBA-QPFDAVBJSA-N
norman_susdat_id: NS00088392
smiles: CC(C)(C)NC[C@H](O)CO.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C7H17NO2.C5H7NO3/c1-7(2,3)8-4-6(10)5-9;7-4-2-1-3(6-4)5(8)9/h6,8-10H,4-5H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: N,N'''-dodecane-1,12-diylbis[1,3,5-triazine-2,4,6-triamine]
cas: 61912-28-5
dtxsid: DTXSID60977461
formula: C18H34N12
inchikey: DVBLMQVWQDZIIF-UHFFFAOYSA-N
norman_susdat_id: NS00056534
pubchem_cid: 6454306
smiles: N=1C(=NC(=NC1N)NCCCCCCCCCCCCNC=2N=C(N=C(N2)N)N)N
inchi:
InChI=1/C18H34N12/c19-13-25-14(20)28-17(27-13)23-11-9-7-5-3-1-2-4-6-8-10-12-24-18-29-15(21)26-16(22)30-18/h1-12H2,(H5,19,20,23,25,27,28)(H5,21,22,24,26,29,30)


name: 2-ethylhexyl [(trioctylstannyl)thio]acetate
cas: 61912-55-8
formula: C34H70O2SSn
inchikey: LFQRPJAWBWYVRT-UHFFFAOYSA-M
norman_susdat_id: NS00055631
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C10H20O2S.3C8H17.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;3*1-3-5-7-8-6-4-2;/h9,13H,3-8H2,1-2H3;3*1,3-8H2,2H3;/q;;;;+1/p-1/rC34H70O2SSn/c1-6-11-15-18-21-24-28-38(29-25-22-19-16-12-7-2,30-26-23-20-17-13-8-3)37-32-34(35)36-31-33(10-5)27-14-9-4/h33H,6-32H2,1-5H3


name: 2-methoxy-5-nitrobenzenediazonium tetrachlorozincate (2:1)
cas: 61919-18-4
formula: C7H6N3O3.1/2Cl4Zn
inchikey: OGTMYEBOJYOLKH-UHFFFAOYSA-J
norman_susdat_id: NS00087976
smiles: COc1ccc(cc1[N+]#N)[N+](=O)[O-].COc2ccc(cc2[N+]#N)[N+](=O)[O-].Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C7H6N3O3.4ClH.Zn/c2*1-13-7-3-2-5(10(11)12)4-6(7)9-8;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C7H6N3O3.Cl4Zn/c2*1-13-7-3-2-5(10(11)12)4-6(7)9-8;1-5(2,3)4/h2*2-4H,1H3;/q2*+1;-2


name: Butylmercaptomethylpenicillin
cas: 6192-29-6
chemspiderid: 174493
dtxsid: DTXSID50210950
formula: C14H22N2O4S2
inchikey: AMZJKFHHVQNUPT-JFGNBEQYSA-N
norman_susdat_id: NS00011636
pubchem_cid: 201537
smiles: CCCCSCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
inchi:
InChI=1S/C14H22N2O4S2/c1-4-5-6-21-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)22-12(9)16/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1


name: Cholest-5-en-3ß-yl 2-ethylhexyl carbonate
cas: 61922-29-0
dtxsid: DTXSID50977470
formula: C36H62O3
inchikey: VVOYNPVJLBAMPC-MSRDKCBUSA-N
norman_susdat_id: NS00055220
pubchem_cid: 112458
smiles: O=C(OCC(CC)CCCC)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C36H62O3/c1-8-10-14-27(9-2)24-38-34(37)39-29-19-21-35(6)28(23-29)15-16-30-32-18-17-31(26(5)13-11-12-25(3)4)36(32,7)22-20-33(30)35/h15,25-27,29-33H,8-14,16-24H2,1-7H3


name: 2-methoxy-4-nitrobenzenediazonium naphthalene-1,5-disulphonate (2:1)
cas: 61925-55-1
formula: C10H6O6S2.2C7H6N3O3
inchikey: NBJGTSKKWFZFEJ-UHFFFAOYSA-L
norman_susdat_id: NS00088030
inchi:
InChI=1/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2

smiles:
COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-]


cas: 61926-22-5
formula: C46H48N8
inchikey: ZKAJUKABUUJRLB-UHFFFAOYSA-N
norman_susdat_id: NS00055632
pubchem_cid: 12328897
name:
5,5'-[ethylenebis(iminotrimethylene)]bis[3,8-diamino-6-phenylphenanthridinium] dichloride dihydrochloride

inchi:
InChI=1/C46H46N8.4ClH/c47-33-13-17-37-39-19-15-35(49)29-43(39)53(45(41(37)27-33)31-9-3-1-4-10-31)25-7-21-51-23-24-52-22-8-26-54-44-30-36(50)16-20-40(44)38-18-14-34(48)28-42(38)46(54)32-11-5-2-6-12-32;;;;/h1-6,9-20,27-30,49-52H,7-8,21-26,47-48H2;4*1H

smiles:
[Cl-].[Cl-].Cl.Cl.NC=1C=CC=2C=3C=CC(N)=CC3[N+](=C(C=4C=CC=CC4)C2C1)CCCNCCNCCC[N+]=5C=6C=C(N)C=CC6C=7C=CC(N)=CC7C5C=8C=CC=CC8


name: 3-[(Naphthalen-1-yl)methyl]-1-pentyl-1H-indole
cas: 619294-35-8
chemspiderid: 29341789
dtxsid: DTXSID90717796
formula: C24H25N1
inchikey: TYBRSILIYTUTSQ-UHFFFAOYSA-N
norman_susdat_id: NS00017542
pubchem_cid: 56603534
smiles: CCCCCN1C=C(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3


name: JWH-122
cas: 619294-47-2
chemspiderid: 24623066
dtxsid: DTXSID00210965
formula: C25H25N1O1
inchikey: HUKJQMKQFWYIHS-UHFFFAOYSA-N
norman_susdat_id: NS00005795
pubchem_cid: 44466638
smiles: CCCCCn1cc(C(=O)c2ccc(C)c3ccccc23)c2ccccc12
inchi:
InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3


name: 1-[(E)-(3-Pentyl-1H-inden-1-ylidene)methyl]naphthalene
cas: 619294-62-1
dtxsid: DTXSID70692895
formula: C25H24
inchikey: FPESBQVTVSBBSE-OQKWZONESA-N
norman_susdat_id: NS00075351
smiles: CCCCCC1=CC(=C/C2=CC=CC3=CC=CC=C23)C2=CC=CC=C12
inchi:
InChI=1S/C25H24/c1-2-3-4-11-21-18-22(25-16-8-7-15-24(21)25)17-20-13-9-12-19-10-5-6-14-23(19)20/h5-10,12-18H,2-4,11H2,1H3/b22-17+


name: JWH-116
cas: 619294-64-3
chemspiderid: 29341485
dtxsid: DTXSID60210966
formula: C26H27N1O1
inchikey: AQHPTHKEKSWGPO-UHFFFAOYSA-N
norman_susdat_id: NS00017686
pubchem_cid: 71301252
smiles: CCCCCN1C2=CC=CC=C2C(=C1CC)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C26H27NO/c1-3-5-10-18-27-23(4-2)25(22-15-8-9-17-24(22)27)26(28)21-16-11-13-19-12-6-7-14-20(19)21/h6-9,11-17H,3-5,10,18H2,1-2H3


name: EINECS 274-950-1
cas: 61931-26-8
chemspiderid: 7851938
dtxsid: DTXSID40430529
formula: C19H16N4O6S1
inchikey: QUMZGFZWXKDQFW-GDHRODDYSA-M
norman_susdat_id: NS00020853
pubchem_cid: 9577518
smiles: [Na+].Cc1c(ccc(O)c1)N=Nc1ccc(Nc2c(cc(cc2)S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C19H16N4O6S/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26/h2-11,20,24H,1H3,(H,27,28,29)/b22-21+


name: Reactive deep green KE-4BD
cas: 61931-49-5
chemspiderid: 4588628
formula: C40H29Cl2N15O19S6
inchikey: ZFUHFOADMIPXNV-XCMFEEANSA-H
norman_susdat_id: NS00021254
pubchem_cid: NA
inchi:
InChI=1S/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)/b56-54?,57-55+

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Nc1c(N=Nc2c(cc(Nc3nc(Nc4cc(ccc4)S(=O)(=O)O)nc(Cl)n3)cc2)S(=O)(=O)O)c(cc2cc(c(N=Nc3c(cc(Nc4nc(Nc5cc(ccc5)S(=O)(=O)O)nc(Cl)n4)cc3)S(=O)(=O)O)c(O)c12)S(=O)(=O)O)S(=O)(=O)O


name: Tetrabromopyranthrene-8,16-dione
cas: 61931-61-1
dtxsid: DTXSID90977479
formula: C30H10Br4O2
inchikey: PMXMXVJJWMRKLM-UHFFFAOYSA-N
norman_susdat_id: NS00055633
pubchem_cid: 21118974
smiles: O=C1C=2C=CC=CC2C=3C=C4C=CC=5C(=O)C=6C(Br)=C(Br)C(Br)=C(Br)C6C7=CC8=CC=C1C3C8=C4C57
inchi:
InChI=1/C30H10Br4O2/c31-25-23-18-10-12-5-7-15-21-17(13-3-1-2-4-14(13)29(15)35)9-11-6-8-16(22(18)20(11)19(12)21)30(36)24(23)26(32)28(34)27(25)33/h1-10H


name: 3-(Acetylamino)-N-(7-hydroxy-1-naphthyl)benzamide
cas: 61931-64-4
chemspiderid: 101087
dtxsid: DTXSID80210968
formula: C19H16N2O3
inchikey: QXWNWVHZMMVIQA-UHFFFAOYSA-N
norman_susdat_id: NS00034850
pubchem_cid: 112785
smiles: CC(=O)Nc1cccc(c1)C(=O)Nc1c2cc(O)ccc2ccc1
inchi:
InChI=1S/C19H16N2O3/c1-12(22)20-15-6-2-5-14(10-15)19(24)21-18-7-3-4-13-8-9-16(23)11-17(13)18/h2-11,23H,1H3,(H,20,22)(H,21,24)


name: Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester
cas: 61931-71-3
chemspiderid: 101089
dtxsid: DTXSID1069532
formula: C22H16Br4O4
inchikey: KFSRWWJHWXPGQO-UHFFFAOYSA-N
norman_susdat_id: NS00034852
pubchem_cid: 112787
smiles: CCOC(=O)c1ccccc1C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
inchi:
InChI=1S/C22H16Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,19,27-28H,2H2,1H3


name: Ammonium undecylbenzenesulphonate
cas: 61931-75-7
formula: C17H28O3S.H3N
inchikey: LZUMCTSZZMZIJH-UHFFFAOYSA-N
norman_susdat_id: NS00087752
smiles: [NH4+].CCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C17H28O3S.H3N/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20;/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20);1H3


name: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
cas: 61931-82-6
chemspiderid: 84262
dtxsid: DTXSID3044966
formula: C18H24N2
inchikey: KZTCAXCBXSIQSS-UHFFFAOYNA-N
norman_susdat_id: NS00034854
pubchem_cid: NA
smiles: CC(C)CC(C)N(c1ccccc1)c1ccc(N)cc1
inchi:
InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3/t15-/m1/s1


cas: 61931-83-7
dtxsid: DTXSID30886470
formula: C17H16N5O7S
inchikey: OJGQFVLZBNVKPQ-UHFFFAOYSA-M
norman_susdat_id: NS00055699
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])C)C3=CC=C(C=C3)S(=O)(=O)[O-]
name:
Sodium p-[4,5-dihydro-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C17H15N5O7S.Na/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;/h3-8,15,23H,1-2H3,(H,27,28,29);/q;+1/p-1


name: Deoxycalyciphylline B
cas: 619326-74-8
chemspiderid: 9046855
formula: C22H31NO2
inchikey: NGQSEZXJVMCXSC-UHFFFAOYNA-N
norman_susdat_id: NS00067894
pubchem_cid: 137706389
inchi:
InChI=1S/C22H31NO2/c1-13-12-23-19-16-5-3-4-14(16)6-7-17(19)21(2)22(11-9-18(24)25-21)10-8-15(13)20(22)23/h5,13-15,17,19-20H,3-4,6-12H2,1-2H3/t13?,14-,15-,17+,19+,20+,21-,22+/m1/s1


name: Bulbispermine
cas: 61948-11-6
chebiid: CHEBI:31667
chemspiderid: 391790
dtxsid: DTXSID90332125
formula: C16H17NO4
inchikey: KWAOMPWGIIXDPH-MVWHLILJSA-N
norman_susdat_id: NS00094849
pubchem_cid: 443670
smiles: O[C@H]1CN2CC3=CC4=C(OCO4)C=C3[C@]11C=C[C@H](O)C[C@H]21
inchi:
InChI=1S/C16H17NO4/c18-10-1-2-16-11-5-13-12(20-8-21-13)3-9(11)6-17(7-15(16)19)14(16)4-10/h1-3,5,10,14-15,18-19H,4,6-8H2/t10-,14-,15-,16-/m0/s1


name: Benzoic acid, 3-amino-4-chloro-, dodecyl ester
cas: 6195-20-6
chemspiderid: 9210366
dtxsid: DTXSID3074606
formula: C19H30Cl1N1O2
inchikey: PFDZHCMFQQMXSB-UHFFFAOYSA-N
norman_susdat_id: NS00005793
pubchem_cid: 11035192
smiles: CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1
inchi:
InChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14,21H2,1H3


cas: 61951-82-4
chemspiderid: 4779663
formula: C44H30Cl2N14O20S6
inchikey: OVSNDJXCFPSPDZ-YGZNCWGHSA-N
norman_susdat_id: NS00019533
pubchem_cid: NA
name:
4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,57-58H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)/b59-35+,60-36+

smiles:
OS(=O)(=O)c1cc2c(c(Nc3nc(Cl)nc(Nc4ccc(Nc5nc(Nc6cc(cc7c6C(=O)/C(=N/Nc6ccccc6S(=O)(=O)O)/C(=C7)S(=O)(=O)O)S(=O)(=O)O)nc(Cl)n5)cc4)n3)c1)C(=O)/C(=N/Nc1ccccc1S(=O)(=O)O)/C(=C2)S(=O)(=O)O


name: C.I. Reactive Yellow 86
cas: 61951-86-8
chemspiderid: 7851211
formula: C18H16Cl2N8O9S2
inchikey: JUNRGNKPIKIXLL-BGBYJAETSA-L
norman_susdat_id: NS00021255
pubchem_cid: 9576770
smiles: [Na+].[Na+].CCn1c(O)c(N=Nc2c(cc(c(Nc3nc(Cl)nc(Cl)n3)c2)S(=O)(=O)O)S(=O)(=O)O)c(C)c(C(=O)N)c1=O
inchi:
InChI=1S/C18H16Cl2N8O9S2/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25)/b27-26+


cas: 61951-98-2
formula: C27H24N6O6S
inchikey: FQVVGIYUIPHSRR-UHFFFAOYSA-N
norman_susdat_id: NS00055700
pubchem_cid: 112793
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC=5C=C(OC)C(=CC5C)S(=O)(=O)NC)=C3O
name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[5-methoxy-2-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C27H24N6O6S/c1-14-10-23(40(37,38)28-2)22(39-3)13-20(14)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-21(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)


name: Tixocortol
cas: 61951-99-3
chebiid: CHEBI:63560
dtxsid: DTXSID30895062
formula: C21H30O4S
inchikey: YWDBSCORAARPPF-VWUMJDOOSA-N
norman_susdat_id: NS00069951
pubchem_cid: 162955
smiles: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CS
inchi:
InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1


name: Didodecylphosphinic acid
cas: 6196-71-0
chemspiderid: 72564
dtxsid: DTXSID50210990
formula: C24H51O2P1
inchikey: UWJCYVDGGSAERX-UHFFFAOYSA-N
norman_susdat_id: NS00034870
pubchem_cid: 80329
smiles: CCCCCCCCCCCCP(=O)(O)CCCCCCCCCCCC
inchi:
InChI=1S/C24H51O2P/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)


name: 2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]benzenediazonium tetrachlorozincate (2:1)
cas: 61966-14-1
formula: C15H15N5O3
inchikey: VUFIPLOIANLIBR-UHFFFAOYSA-J
norman_susdat_id: NS00055797
pubchem_cid: NA
inchi:
InChI=1/2C15H14N5O3.4ClH.Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;;;;;/h2*4-8H,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H14N5O3.Cl4Zn/c2*1-9-4-5-11(14(6-9)20(21)22)18-19-12-8-15(23-3)13(17-16)7-10(12)2;1-5(2,3)4/h2*4-8H,1-3H3;/q2*+1;-2

smiles:
N#[N+]C1=CC(=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C=C1OC)C.N#[N+]C1=CC(=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C=C1OC)C.Cl[Zn-2](Cl)(Cl)Cl


name: 5'-bis(2-acetyloxyethyl)amino-2'-(2-chloro-4-nitrophenylazo)propionanilide
cas: 61968-52-3
chemspiderid: 97942
formula: C23H26Cl1N5O7
inchikey: ZDORFLXCSSFUIE-CYYJNZCTSA-N
norman_susdat_id: NS00020438
pubchem_cid: NA
smiles: CCC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C23H26ClN5O7/c1-4-23(32)25-22-14-17(28(9-11-35-15(2)30)10-12-36-16(3)31)5-8-21(22)27-26-20-7-6-18(29(33)34)13-19(20)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,32)


name: C.I. Ingrain Yellow 1
cas: 61968-76-1
chebiid: CHEBI:87353
chemspiderid: 2342179
formula: C40H46N8S4
inchikey: QMKQNEXRGZFFKQ-VGFSZAGXSA-N
norman_susdat_id: NS00021256
pubchem_cid: NA
smiles: Cc1cc2c(cc1CSC(=[N+](C)C)N(C)C)nc(s2)c3ccc(cc3)/N=N/c4ccc(cc4)c5nc6cc(c(cc6s5)C)CSC(=[N+](C)C)N(C)C
inchi:
InChI=1S/C40H46N8S4/c1-25-19-35-33(21-29(25)23-49-39(45(3)4)46(5)6)41-37(51-35)27-11-15-31(16-12-27)43-44-32-17-13-28(14-18-32)38-42-34-22-30(26(2)20-36(34)52-38)24-50-40(47(7)8)48(9)10/h11-22H,23-24H2,1-10H3/q+2/b44-43+


name: 2-Ethylhexyl-2-cyano-3,3-diphenylacrylate
cas: 6197-30-4
chebiid: CHEBI:135526
chemspiderid: 21165
dtxsid: DTXSID9025299
formula: C24H27N1O2
inchikey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
norman_susdat_id: NS00010308
pubchem_cid: 22571
smiles: CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N
inchi:
InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3


name: Cucurbitacin B
cas: 6199-67-3
chebiid: CHEBI:3941
chemspiderid: 5281316
formula: C32H46O8
inchikey: IXQKXEUSCPEQRD-DKRGWESNSA-N
norman_susdat_id: NS00094064
pubchem_cid: 4444693
smiles:
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O


name: Maduramycin
cas: 61991-54-6
inchikey: WQGJEAMPBSZCIF-WHSSCRKSSA-N
norman_susdat_id: NS00078753
smiles:
[C@@H]1(C[C@H](O[C@H]([C@@H]1OC)C)O[C@H]1C[C@H]([C@@H]2[C@H](C[C@H]([C@](O2)(O)C)C)C)O[C@H]1[C@]1(CC[C@H](O1)[C@]1(CC[C@]2(O1)O[C@@H]([C@@H]([C@H](C2)O)C)[C@H]([C@@H]1O[C@@]([C@H]([C@@H]([C@H]1OC)OC)C)(CC(=O)[O-])O)C)C)C)OC.[NH4+]


name: 2-[ethyl[3-methyl-4-[(4-nitrophenyl)azo]phenyl]amino]ethanol
cas: 61994-66-9
dtxsid: DTXSID90886471
formula: C17H21N4O3
inchikey: VIPATEVXXXQLLF-UHFFFAOYSA-N
norman_susdat_id: NS00055798
pubchem_cid: 112795
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CCO)C=C1
inchi:
InChI=1/C17H20N4O3/c1-3-20(10-11-22)16-8-9-17(13(2)12-16)19-18-14-4-6-15(7-5-14)21(23)24/h4-9,12,22H,3,10-11H2,1-2H3


name: Chlormerodrin
cas: 62-37-3
chebiid: CHEBI:59445
formula: C5H11ClHgN2O2
inchikey: BJFGVYCULWBXKF-UHFFFAOYSA-M
norman_susdat_id: NS00078979
smiles: COC(CNC(=O)N)C[Hg]Cl
inchi:
InChI=1/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1/rC5H11ClHgN2O2/c1-11-4(2-7-6)3-9-5(8)10/h4H,2-3H2,1H3,(H3,8,9,10)


name: Phenylmercury acetate
cas: 62-38-4
chebiid: CHEBI:27684
formula: C8H8HgO2
inchikey: XEBWQGVWTUSTLN-UHFFFAOYSA-M
norman_susdat_id: NS00078927
smiles: O=C([O-])C.[Hg+]\C\1=C\C=C/C=C/1
inchi:
InChI=1/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1/rC6H5Hg.C2H4O2/c7-6-4-2-1-3-5-6;1-2(3)4/h1-5H;1H3,(H,3,4)/q+1;/p-1


name: Cevadine
cas: 62-59-9
chemspiderid: 4528662
dtxsid: DTXSID4058237
formula: C32H49N1O9
inchikey: DBUCFOVFALNEOO-HWBIYQLFSA-N
norman_susdat_id: NS00008468
pubchem_cid: 5380394
inchi:
InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1

smiles:
CC=C(C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O


name: Nalorphine
cas: 62-67-9
chebiid: CHEBI:7458
chemspiderid: 4447643
dtxsid: DTXSID3023348
formula: C19H21N1O3
inchikey: UIQMVEYFGZJHCZ-SSTWWWIQSA-N
norman_susdat_id: NS00008614
pubchem_cid: 5284595
smiles: O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
inchi:
InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1


name: 7α-Hydroxytestosterone
cas: 62-83-9
chebiid: CHEBI:2295
chemspiderid: 58985
formula: C19H28O3
inchikey: RNCGWYKXAJCOLD-JUKXBMAYSA-N
norman_susdat_id: NS00014772
pubchem_cid: 65541
smiles: O=C3C=C2CC(O)C1C4C(C)(CCC1C2(C)CC3)C(O)CC4
inchi:
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1


name: Nandrolone phenpropionate
cas: 62-90-8
chebiid: CHEBI:7468
chemspiderid: 199761
dtxsid: DTXSID2023353
formula: C27H34O3
inchikey: UBWXUGDQUBIEIZ-QNTYDACNSA-N
norman_susdat_id: NS00006534
pubchem_cid: 229455
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1
inchi:
InChI=1S/C27H34O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,17,21-25H,7-16H2,1H3/t21-,22+,23+,24-,25-,27-/m0/s1


name: Diphemanil metilsulfate
cas: 62-97-5
chebiid: CHEBI:59782
dtxsid: DTXSID9022948
formula: C20H24N
inchikey: BREMLQBSKCSNNH-UHFFFAOYSA-M
norman_susdat_id: NS00041208
pubchem_cid: 6126
smiles: O=S(=O)([O-])OC.C=1C=CC(=CC1)C(C=2C=CC=CC2)=C3CC[N+](C)(C)CC3
inchi:
InChI=1/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 6ÃŸ-Hydroxytestosterone
cas: 62-99-7
chebiid: CHEBI:34477
chemspiderid: 58987
formula: C19H28O3
inchikey: XSEGWEUVSZRCBC-ZVBLRVHNSA-N
norman_susdat_id: NS00014769
pubchem_cid: 65543
smiles: O=C4C=C3/C(C2CCC1(C(CCC1O)C2CC3O)C)(C)CC4
inchi:
InChI=1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16+,17-,18+,19-/m0/s1


name: Phosphorous acid, tris(4-methylphenyl) ester
cas: 620-42-8
chemspiderid: 11609
dtxsid: DTXSID1060718
formula: C21H21O3P1
inchikey: FEVFLQDDNUQKRY-UHFFFAOYSA-N
norman_susdat_id: NS00002450
pubchem_cid: 12106
smiles: Cc1ccc(OP(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
inchi:
InChI=1S/C21H21O3P/c1-16-4-10-19(11-5-16)22-25(23-20-12-6-17(2)7-13-20)24-21-14-8-18(3)9-15-21/h4-15H,1-3H3


name: Hyoscyamine sulphate
cas: 620-61-1
formula: C17H23NO3.1/2H2O4S
inchikey: VJFQPODMEGSXHC-PGQIENJJSA-N
norman_susdat_id: NS00080551
smiles: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3.OS(=O)(=O)O
inchi:
InChI=1/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)


name: Butanoic acid, 3-methyl-, 1,2,3-propanetriyl ester
cas: 620-63-3
chemspiderid: 62496
dtxsid: DTXSID5060720
formula: C18H32O6
inchikey: HZGMZSCMYSGJTL-UHFFFAOYSA-N
norman_susdat_id: NS00034901
pubchem_cid: 69285
smiles: CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C
inchi:
InChI=1S/C18H32O6/c1-12(2)7-16(19)22-10-15(24-18(21)9-14(5)6)11-23-17(20)8-13(3)4/h12-15H,7-11H2,1-6H3


name: TRIARACHIDIN
cas: 620-64-4
chemspiderid: 71405
formula: C63H122O6
inchikey: ZQZYKZCGDCQGII-UHFFFAOYSA-N
norman_susdat_id: NS00014162
pubchem_cid: 79073
smiles: CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3


name: 1,2,3-Propanetriyl triheptanoate
cas: 620-67-7
chemspiderid: 62497
dtxsid: DTXSID40862306
formula: C24H44O6
inchikey: PJHKBYALYHRYSK-UHFFFAOYSA-N
norman_susdat_id: NS00002549
pubchem_cid: 69286
smiles: CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
inchi:
InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3


name: 4,4'-oxydibenzamidine bis(2-hydroxyethanesulphonate)
cas: 620-90-6
formula: C14H14N4O.2C2H6O4S
inchikey: LQQSAQZTFJQBMW-UHFFFAOYSA-N
norman_susdat_id: NS00080552
smiles: NC(=N)c1ccc(Oc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O
inchi:
InChI=1/C14H14N4O.2C2H6O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;2*3-1-2-7(4,5)6/h1-8H,(H3,15,16)(H3,17,18);2*3H,1-2H2,(H,4,5,6)


name: Phenacaine hydrochloride
cas: 620-99-5
formula: C18H22N2O2.ClH
inchikey: RRRKUSYYBYVFMC-UHFFFAOYSA-N
norman_susdat_id: NS00080234
smiles: Cl.CCOc1ccc(cc1)NC(C)=Nc2ccc(OCC)cc2
inchi:
InChI=1/C18H22N2O2.ClH/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2;/h6-13H,4-5H2,1-3H3,(H,19,20);1H


name: [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium chloride
cas: 6200-40-4
dtxsid: DTXSID00977541
formula: C20H44NO4
inchikey: ONBIVJYAPNYEDQ-UHFFFAOYSA-M
norman_susdat_id: NS00043640
pubchem_cid: 21149330
smiles: [Cl-].OCC[N+](C)(CCO)CC(O)COCCCCCCCCCCCC
inchi:
InChI=1/C20H44NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-17-25-19-20(24)18-21(2,13-15-22)14-16-23;/h20,22-24H,3-19H2,1-2H3;1H/q+1;/p-1


name: 5-decyl-4,7,13,16,21-pentaoxa-1,10-diazabicyclo[8.8.5]tricosane
cas: 62002-40-8
dtxsid: DTXSID20977543
formula: C26H52N2O5
inchikey: AYKASNXTQRDUFS-UHFFFAOYSA-N
norman_susdat_id: NS00055281
pubchem_cid: 6454321
smiles: O1CCOCCN2CCOCCN(CC1)CCOCC(OCC2)CCCCCCCCCC
inchi:
InChI=1/C26H52N2O5/c1-2-3-4-5-6-7-8-9-10-26-25-32-21-15-27-11-17-29-18-12-28(16-22-33-26)14-20-31-24-23-30-19-13-27/h26H,2-25H2,1H3


name: 6-Isononyl-1,1,3,3-tetramethylindan-5-ol
cas: 62005-65-6
chemspiderid: 4956652
dtxsid: DTXSID80211056
formula: C22H36O1
inchikey: VWIHTAGQRGHQPR-UHFFFAOYSA-N
norman_susdat_id: NS00034881
pubchem_cid: 6454324
smiles: CC(C)CCCCCCc1cc2c(cc1O)C(C)(C)CC2(C)C
inchi:
InChI=1S/C22H36O/c1-16(2)11-9-7-8-10-12-17-13-18-19(14-20(17)23)22(5,6)15-21(18,3)4/h13-14,16,23H,7-12,15H2,1-6H3


name: 5-((2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-sulphophenyl)sulphonyl)salicylic acid
cas: 6201-75-8
chemspiderid: 72567
dtxsid: DTXSID30211061
formula: C17H14N2O9S2
inchikey: SQFSKKWFISMBPH-UHFFFAOYSA-N
norman_susdat_id: NS00034888
pubchem_cid: 80332
smiles: CC1=NN(C(=O)C1)c1cc(ccc1S(=O)(=O)c1cc(C(=O)O)c(O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C17H14N2O9S2/c1-9-6-16(21)19(18-9)13-8-11(30(26,27)28)3-5-15(13)29(24,25)10-2-4-14(20)12(7-10)17(22)23/h2-5,7-8,20H,6H2,1H3,(H,22,23)(H,26,27,28)


name: 5-((4-Aminobenzoyl)amino)salicylic acid
cas: 6201-78-1
chemspiderid: 72568
dtxsid: DTXSID90211062
formula: C14H12N2O4
inchikey: ANWCFOBHFNQQSV-UHFFFAOYSA-N
norman_susdat_id: NS00034889
pubchem_cid: 80333
smiles: Nc1ccc(cc1)C(=O)Nc1cc(C(=O)O)c(O)cc1
inchi:
InChI=1S/C14H12N2O4/c15-9-3-1-8(2-4-9)13(18)16-10-5-6-12(17)11(7-10)14(19)20/h1-7,17H,15H2,(H,16,18)(H,19,20)


name: 3-((4-Aminobenzoyl)amino)-5-sulphosalicylic acid
cas: 6201-80-5
chemspiderid: 72569
dtxsid: DTXSID50211063
formula: C14H12N2O7S1
inchikey: DSANWMATXAFGTP-UHFFFAOYSA-N
norman_susdat_id: NS00034890
pubchem_cid: 80334
smiles: Nc1ccc(cc1)C(=O)Nc1c(O)c(cc(c1)S(=O)(=O)O)C(=O)O
inchi:
InChI=1S/C14H12N2O7S/c15-8-3-1-7(2-4-8)13(18)16-11-6-9(24(21,22)23)5-10(12(11)17)14(19)20/h1-6,17H,15H2,(H,16,18)(H,19,20)(H,21,22,23)


name: Dirithromycin
cas: 62013-04-1
chebiid: CHEBI:474014
chemspiderid: 4976073
dtxsid: DTXSID7048956
formula: C42H78N2O14
inchikey: WLOHNSSYAXHWNR-DWIOZXRMSA-N
norman_susdat_id: NS00011655
pubchem_cid: 6473883
inchi:
InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1

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


name: AFN-1252
cas: 620175-39-5
dtxsid: DTXSID10211069
formula: C22H21N3O3
inchikey: QXTWSUQCXCWEHF-JXMROGBWSA-N
norman_susdat_id: NS00072291
pubchem_cid: 10407120
smiles: Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)oc2ccccc12
inchi:
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+


name: 3-(5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(dimethyl)ammonium chloride
cas: 6202-23-9
chebiid: CHEBI:3997
formula: C20H21N.ClH
inchikey: VXEAYBOGHINOKW-UHFFFAOYSA-N
norman_susdat_id: NS00081131
smiles: [Cl-].C[NH+](C)CCC=C1c2ccccc2C=Cc3ccccc13
inchi:
InChI=1/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H


name: 3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutanoic acid
cas: 62023-58-9
dtxsid: DTXSID50391854
formula: C18H19NO5
inchikey: JXJYTERRLRAUSF-JKSUJKDBSA-N
norman_susdat_id: NS00070837
pubchem_cid: 10958449
smiles: O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)O)OCc1ccccc1
inchi:
InChI=1S/C18H19NO5/c20-16(17(21)22)15(11-13-7-3-1-4-8-13)19-18(23)24-12-14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,23)(H,21,22)/t15-,16+/m0/s1


name: 5-Hydroxy-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxamide
cas: 62025-48-3
dtxsid: DTXSID40977565
formula: C9H14N3O9P
inchikey: KTKAFSMJDTUUAN-UUOKFMHZSA-N
norman_susdat_id: NS00070914
pubchem_cid: 124908
smiles: NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1O
inchi:
InChI=1S/C9H14N3O9P/c10-7(15)4-8(16)12(2-11-4)9-6(14)5(13)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,13-14,16H,1H2,(H2,10,15)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1


name: Potassium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
cas: 62026-29-3
formula: C9H10N4O4.K
inchikey: JHIZOIFJUQBHMW-UHFFFAOYSA-M
norman_susdat_id: NS00087799
smiles: [K+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O
inchi:
InChI=1/C9H10N4O4.K/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1


name: Disodium 4,4'-bis[(4-hydroxy-3-methylphenyl)azo]stilbene-2,2'-disulphonate
cas: 62037-55-2
formula: C28H24N4O8S2
inchikey: LXDSDLGVUKVSDJ-ZCKCZGSLSA-L
norman_susdat_id: NS00055817
pubchem_cid: 136262601
inchi:
InChI=1/C28H24N4O8S2.2Na/c1-17-13-21(9-11-25(17)33)29-31-23-7-5-19(27(15-23)41(35,36)37)3-4-20-6-8-24(16-28(20)42(38,39)40)32-30-22-10-12-26(34)18(2)14-22;;/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(O)C(=C2)C)=CC=C1C=CC3=CC=C(N=NC4=CC=C(O)C(=C4)C)C=C3S(=O)(=O)[O-]


name: Morpholine citrate
cas: 62038-11-3
formula: C6H8O7.xC4H9NO
inchikey: MUAWWROODCFBEM-UHFFFAOYSA-N
norman_susdat_id: NS00088037
smiles: OC(=O)CC(O)(CC(=O)O)C(=O)O.C1COCCN1
inchi:
InChI=1/C6H8O7.C4H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-6-4-2-5-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,1-4H2


name: [[(2-ethylhexyl)imino]bis(methylene)]bisphosphonic acid
cas: 6204-28-0
dtxsid: DTXSID10977592
formula: C10H25NO6P2
inchikey: VCBDDOWPXBJZFB-UHFFFAOYSA-N
norman_susdat_id: NS00044312
pubchem_cid: 110803
smiles: O=P(O)(O)CN(CC(CC)CCCC)CP(=O)(O)O
inchi:
InChI=1/C10H25NO6P2/c1-3-5-6-10(4-2)7-11(8-18(12,13)14)9-19(15,16)17/h10H,3-9H2,1-2H3,(H2,12,13,14)(H2,15,16,17)


cas: 62072-81-5
chemspiderid: 21161951
dtxsid: DTXSID6069539
formula: C23H26N6O10
inchikey: PRXVOZRQJNSLIB-UHFFFAOYSA-N
norman_susdat_id: NS00034903
pubchem_cid: 112800
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[5-(acetylamino)-4-[(2,4-dinitrophenyl)azo]-2-methoxyphenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

inchi:
InChI=1S/C23H26N6O10/c1-14(30)24-17-12-20(27(9-7-22(31)38-3)10-8-23(32)39-4)21(37-2)13-18(17)26-25-16-6-5-15(28(33)34)11-19(16)29(35)36/h5-6,11-13H,7-10H2,1-4H3,(H,24,30)


name: Methyl N-(5-(acetylamino)-2-methoxyphenyl)-N-(3-methoxy-3-oxopropyl)-beta-alaninate
cas: 62072-82-6
chemspiderid: 4956664
dtxsid: DTXSID90211123
formula: C17H24N2O6
inchikey: XUBDTGBUGMAAHD-UHFFFAOYSA-N
norman_susdat_id: NS00034904
pubchem_cid: 6454337
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C17H24N2O6/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(9-7-16(21)24-3)10-8-17(22)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,20)


name: Dodecyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride
cas: 62077-89-8
dtxsid: DTXSID40977666
formula: C23H52NO3Si
inchikey: YWZQRISHIOLKIZ-UHFFFAOYSA-M
norman_susdat_id: NS00055871
pubchem_cid: 3017307
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C23H52NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-21-24(5,6)22-20-23-28(25-8-2,26-9-3)27-10-4;/h7-23H2,1-6H3;1H/q+1;/p-1


name: Vabicaserin
cas: 620948-34-7
dtxsid: DTXSID80977680
formula: C15H20N2
inchikey: NPTIPEQJIDTVKR-STQMWFEESA-N
norman_susdat_id: NS00071905
smiles: c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2
inchi:
InChI=1S/C15H20N2/c1-3-11-9-16-7-8-17-10-12-4-2-5-13(12)14(6-1)15(11)17/h1,3,6,12-13,16H,2,4-5,7-10H2/t12-,13-/m0/s1


name: Propanediamide, N,N'-diphenyl-
cas: 621-10-3
chemspiderid: 62509
dtxsid: DTXSID0060729
formula: C15H14N2O2
inchikey: YYAQOJILQOVUSK-UHFFFAOYSA-N
norman_susdat_id: NS00034920
pubchem_cid: 69298
smiles: O=C(CC(=O)Nc1ccccc1)Nc1ccccc1
inchi:
InChI=1S/C15H14N2O2/c18-14(16-12-7-3-1-4-8-12)11-15(19)17-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)(H,17,19)


name: Hexanoic acid, 1,2,3-propanetriyl ester
cas: 621-70-5
chebiid: CHEBI:77386
chemspiderid: 11633
dtxsid: DTXSID4060737
formula: C21H38O6
inchikey: MAYCICSNZYXLHB-UHFFFAOYSA-N
norman_susdat_id: NS00034948
pubchem_cid: 12131
smiles: CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
inchi:
InChI=1S/C21H38O6/c1-4-7-10-13-19(22)25-16-18(27-21(24)15-12-9-6-3)17-26-20(23)14-11-8-5-2/h18H,4-17H2,1-3H3


name: Tricaprin
cas: 621-71-6
chebiid: CHEBI:77388
chemspiderid: 62521
dtxsid: DTXSID1042651
formula: C33H62O6
inchikey: LADGBHLMCUINGV-UHFFFAOYSA-N
norman_susdat_id: NS00013244
pubchem_cid: 69310
smiles: CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
inchi:
InChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3


name: Magnesium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
cas: 62103-78-0
formula: C18H14N2O6S.xMg
inchikey: FYJSNFMJQKHLTI-UHFFFAOYSA-L
norman_susdat_id: NS00088095
smiles: [Mg+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C18H14N2O6S.Mg/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2/p-2


name: 5-(aminosulphonyl)-N-[[1-(2-hydroxyethyl)-2-pyrrolidinyl]methyl]-2-methoxybenzamide
cas: 62105-07-1
dtxsid: DTXSID30977695
formula: C15H23N3O5S
inchikey: XHLGUBRTGCPSIP-UHFFFAOYSA-N
norman_susdat_id: NS00056355
pubchem_cid: 3017309
smiles: O=C(NCC1N(CCO)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N
inchi:
InChI=1/C15H23N3O5S/c1-23-14-5-4-12(24(16,21)22)9-13(14)15(20)17-10-11-3-2-6-18(11)7-8-19/h4-5,9,11,19H,2-3,6-8,10H2,1H3,(H,17,20)(H2,16,21,22)


name: Morphine sulfate pentahydrate
cas: 6211-15-0
chebiid: CHEBI:50731
dtxsid: DTXSID1048914
formula: C34H50N2O15S
inchikey: GRVOTVYEFDAHCL-RTSZDRIGSA-N
norman_susdat_id: NS00076197
inchi:
InChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1

smiles:
O.O.O.O.O.OS(O)(=O)=O.CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35.CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O)=C35


name: Barium bis(4-anilinobenzenesulphonate)
cas: 6211-24-1
formula: C12H11NO3S.1/2Ba
inchikey: IVCNVXFNTKXMCA-UHFFFAOYSA-L
norman_susdat_id: NS00080513
smiles: [Ba+2].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1.[O-]S(=O)(=O)c3ccc(Nc4ccccc4)cc3
inchi:
InChI=1/2C12H11NO3S.Ba/c2*14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h2*1-9,13H,(H,14,15,16);/q;;+2/p-2


name: Methyl (16ß,17a,20a)-17-hydroxyyohimban-16-carboxylate hydrochloride
cas: 6211-32-1
formula: C21H26N2O3.ClH
inchikey: PIPZGJSEDRMUAW-ZKKXXTDSSA-N
norman_susdat_id: NS00081132
smiles: Cl.COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
inchi:
InChI=1/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H


name: 5-(3-bromopropyl)-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium bromide
cas: 62113-49-9
dtxsid: DTXSID00977708
formula: C28H29BrN3O4
inchikey: FEKABAHLFSPQDM-UHFFFAOYSA-N
norman_susdat_id: NS00057142
pubchem_cid: 6454346
smiles: [Br-].O=C(OCC)NC=1C=CC=2C=3C=CC(=CC3[N+](=C(C=4C=CC=CC4)C2C1)CCCBr)NC(=O)OCC
inchi:
InChI=1/C28H28BrN3O4.BrH/c1-3-35-27(33)30-20-11-13-22-23-14-12-21(31-28(34)36-4-2)18-25(23)32(16-8-15-29)26(24(22)17-20)19-9-6-5-7-10-19;/h5-7,9-14,17-18H,3-4,8,15-16H2,1-2H3,(H,30,33);1H


name: Dimethyloctadecyl[3-(triethoxysilyl)propyl]ammonium chloride
cas: 62117-57-1
dtxsid: DTXSID50977718
formula: C29H64NO3Si
inchikey: HRBYCVPFYWTROV-UHFFFAOYSA-M
norman_susdat_id: NS00055814
pubchem_cid: 9807252
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C29H64NO3Si.ClH/c1-7-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(5,6)28-26-29-34(31-8-2,32-9-3)33-10-4;/h7-29H2,1-6H3;1H/q+1;/p-1


name: Tetradodecylammonium perchlorate
cas: 62120-45-0
formula: C48H100N.ClO4
inchikey: UPKKOAUGTBGKAS-UHFFFAOYSA-M
norman_susdat_id: NS00088270
smiles: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C48H100N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-48H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: 2,2-bis[[(1-oxoisooctadecyl)oxy]methyl]-1,3-propanediyl bis(isooctadecanoate)
cas: 62125-22-8
chemspiderid: 151730
formula: C77H148O8
inchikey: LPGFSDGXTDNTCB-UHFFFAOYSA-N
norman_susdat_id: NS00007736
pubchem_cid: 173849
inchi:
InChI=1S/C77H148O8/c1-69(2)57-49-41-33-25-17-9-13-21-29-37-45-53-61-73(78)82-65-77(66-83-74(79)62-54-46-38-30-22-14-10-18-26-34-42-50-58-70(3)4,67-84-75(80)63-55-47-39-31-23-15-11-19-27-35-43-51-59-71(5)6)68-85-76(81)64-56-48-40-32-24-16-12-20-28-36-44-52-60-72(7)8/h69-72H,9-68H2,1-8H3

smiles:
CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C


cas: 62133-79-3
dtxsid: DTXSID80889794
formula: C31H27N5O6S2
inchikey: ASQBMQDCZKNNKW-UHFFFAOYSA-L
norman_susdat_id: NS00057143
pubchem_cid: 162963
name:
Disodium 5-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]-8-(phenylazo)naphthalene-2-sulphonate

inchi:
InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-6-10-26(19-22)43(37,38)39)25-13-11-24(12-14-25)33-34-30-17-18-31(35-32-23-8-4-3-5-9-23)29-20-27(44(40,41)42)15-16-28(29)30;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=5C=C(C=CC35)S(=O)(=O)[O-])C=C2)CC


cas: 62133-80-6
dtxsid: DTXSID40889795
formula: C31H27N5O6S2
inchikey: VUSXFUGOIRPDBR-UHFFFAOYSA-L
norman_susdat_id: NS00057144
pubchem_cid: 162965
name:
Disodium 8-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]-5-(phenylazo)naphthalene-2-sulphonate

inchi:
InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-6-10-26(19-22)43(37,38)39)25-13-11-24(12-14-25)33-35-31-18-17-30(34-32-23-8-4-3-5-9-23)28-16-15-27(20-29(28)31)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=5C=CC(=CC35)S(=O)(=O)[O-])C=C2)CC


name: [4-[3-(dibutylamino)propoxy]phenyl](2-ethylindolizin-3-yl)methanone monohydrochloride
cas: 62134-34-3
dtxsid: DTXSID80211192
formula: C28H38N2O2
inchikey: DXHWOBBGGCYHNV-UHFFFAOYSA-N
norman_susdat_id: NS00056273
pubchem_cid: 71959
smiles: Cl.O=C(C1=CC=C(OCCCN(CCCC)CCCC)C=C1)C2=C(C=C3C=CC=CN32)CC
inchi:
InChI=1/C28H38N2O2.ClH/c1-4-7-17-29(18-8-5-2)19-11-21-32-26-15-13-24(14-16-26)28(31)27-23(6-3)22-25-12-9-10-20-30(25)27;/h9-10,12-16,20,22H,4-8,11,17-19,21H2,1-3H3;1H


name: 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-
cas: 62143-26-4
chemspiderid: 101109
dtxsid: DTXSID5069546
formula: C21H19N3O2S1
inchikey: JBYNUUNOLLCWRY-UHFFFAOYSA-N
norman_susdat_id: NS00034936
pubchem_cid: 112813
smiles: CCN(CC)c1cc2c(cc1)cc(c1nnc(s1)c1ccccc1)c(=O)o2
inchi:
InChI=1S/C21H19N3O2S/c1-3-24(4-2)16-11-10-15-12-17(21(25)26-18(15)13-16)20-23-22-19(27-20)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3


name: Cadmium bis(heptadecanoate)
cas: 62149-56-8
formula: C17H34O2.1/2Cd
inchikey: ZNDXMUNDOCJFQM-UHFFFAOYSA-L
norman_susdat_id: NS00088723
smiles: [Cd+2].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C17H34O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h2*2-16H2,1H3,(H,18,19);/q;;+2/p-2


cas: 62149-82-0
formula: C52H96O9Sn
inchikey: HSQLENZKDAADSB-YKVOHGDPSA-M
norman_susdat_id: NS00057146
pubchem_cid: 53436574
smiles: O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OCC=CC(=O)OCCCCCCCCCCCC)(OCC=CCOCCCCCCCCCCCC)CCCC
name:
Dodecyl (Z,Z,Z)-6-butyl-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate

inchi:
InChI=1/C16H28O4.C16H29O3.C16H31O2.C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-2-3-4-5-6-7-8-9-10-11-15-19-16(18)13-12-14-17;1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17;1-3-4-2;/h12-13H,2-11,14H2,1H3,(H,17,18);12-13H,2-11,14-15H2,1H3;11,13H,2-10,12,14-16H2,1H3;1,3-4H2,2H3;/q;2*-1;;+3/p-1/rC52H96O9Sn/c1-5-9-13-16-19-22-25-28-31-34-43-56-44-37-38-47-59-62(49-12-8-4,60-48-39-40-50(53)57-45-35-32-29-26-23-20-17-14-10-6-2)61-52(55)42-41-51(54)58-46-36-33-30-27-24-21-18-15-11-7-3/h37-42H,5-36,43-49H2,1-4H3


cas: 62152-67-4
formula: C32H27N3O3S.Na
inchikey: AOADSHDCARXSGL-UHFFFAOYSA-M
norman_susdat_id: NS00088279
smiles: [Na+].[O-]S(=O)(=O)c5ccccc5Nc1ccc(cc1)C(c2cc(C)c(N)cc2)=C\3/C=C\C(/C=C/3)=N\c4ccccc4
name:
Sodium [[4-[(4-amino-m-tolyl)[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]phenyl]amino]benzenesulphonate

inchi:
InChI=1/C32H27N3O3S.Na/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38;/h2-21,35H,33H2,1H3,(H,36,37,38);/q;+1/p-1


name: N-(4-((4-Amino-9,10-dihydro-9,10-dioxo-3-sulphoanthracen-1-yl)amino)phenyl)-beta-alanine
cas: 62155-80-0
chemspiderid: 4956683
dtxsid: DTXSID00211215
formula: C23H19N3O7S1
inchikey: KHQMJGFYBHFROY-UHFFFAOYSA-N
norman_susdat_id: NS00034943
pubchem_cid: 6454359
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccc(NCCC(=O)O)cc2)cc1S(=O)(=O)O
inchi:
InChI=1S/C23H19N3O7S/c24-21-17(34(31,32)33)11-16(26-13-7-5-12(6-8-13)25-10-9-18(27)28)19-20(21)23(30)15-4-2-1-3-14(15)22(19)29/h1-8,11,25-26H,9-10,24H2,(H,27,28)(H,31,32,33)


name: Ethanol, 2-[(5-amino-2,4-dimethoxyphenyl)sulfonyl]-, hydrogen sulfate (ester)
cas: 62158-73-0
chemspiderid: 101111
dtxsid: DTXSID0069547
formula: C10H15N1O8S2
inchikey: UGZSTADDMXCMFC-UHFFFAOYSA-N
norman_susdat_id: NS00034944
pubchem_cid: 112815
smiles: COc1cc(OC)c(cc1N)S(=O)(=O)CCOS(=O)(=O)O
inchi:
InChI=1S/C10H15NO8S2/c1-17-8-6-9(18-2)10(5-7(8)11)20(12,13)4-3-19-21(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)


name: Butanoic acid, 4-[[2-[(5-chloro-2-cyanophenyl)azo]-5-(diethylamino)phenyl]amino]-4-oxo-
cas: 62163-33-1
chemspiderid: 101112
dtxsid: DTXSID5069548
formula: C21H22Cl1N5O3
inchikey: SSVJBYGRIFCYNI-UHFFFAOYSA-N
norman_susdat_id: NS00034946
pubchem_cid: 112816
smiles: CCN(CC)c1cc(NC(=O)CCC(=O)O)c(cc1)N=Nc1c(ccc(Cl)c1)C#N
inchi:
InChI=1S/C21H22ClN5O3/c1-3-27(4-2)16-7-8-17(19(12-16)24-20(28)9-10-21(29)30)25-26-18-11-15(22)6-5-14(18)13-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,28)(H,29,30)/b26-25-


cas: 62163-53-5
dtxsid: DTXSID0069549
formula: C17H18N6
inchikey: DAQNKASEYOLCCH-UHFFFAOYSA-N
norman_susdat_id: NS00056377
pubchem_cid: 162969
smiles: O=S(=O)(OCC)OCC.N(=NC1=CC=C(C=C1)N(C)CC=2C=CC=CC2)C3=NC=NN3C
name:
Diethyl sulphate, compound with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-5-yl)azo]phenyl]benzylamine (1:1)

inchi:
InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-21-17-18-13-19-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3


name: 4-(diethylamino)benzenediazonium trichlorozincate
cas: 6217-19-2
formula: C10H14N3.Cl3Zn
inchikey: YLGBZMRWHAZPIE-UHFFFAOYSA-K
norman_susdat_id: NS00080851
smiles: CCN(CC)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C10H14N3.3ClH.Zn/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;/h5-8H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC10H14N3.Cl3Zn/c1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-4(2)3/h5-8H,3-4H2,1-2H3;/q+1;-1


name: Sodium 2-[(2-ethylhexyl)oxy]-1-[[(2-ethylhexyl)oxy]methyl]ethyl sulphate
cas: 62174-79-2
dtxsid: DTXSID10977759
formula: C19H40O6S
inchikey: FFCPFRIFLJGEEQ-UHFFFAOYSA-M
norman_susdat_id: NS00056378
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])OC(COCC(CC)CCCC)COCC(CC)CCCC
inchi:
InChI=1/C19H40O6S.Na/c1-5-9-11-17(7-3)13-23-15-19(25-26(20,21)22)16-24-14-18(8-4)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,20,21,22);/q;+1/p-1


name: 9,10-Dehydro-19-nortestosterone
cas: 6218-29-7
chemspiderid: 541567
dtxsid: DTXSID80471835
formula: C18H24O2
inchikey: PUQSDJZESAQGQS-UHFFFAOYSA-N
norman_susdat_id: NS00002504
pubchem_cid: 623328
smiles: CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
inchi:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3


name: 1,2-Anthracenedicarboxylic acid, 7-acetyl-6-ethyl-9,10-dihydro-3,5,8-trihydroxy-9,10-dioxo-
cas: 6219-66-5
chemspiderid: 4511276
dtxsid: DTXSID3064140
formula: C20H14O10
inchikey: RHAXKFFKGZJUOE-UHFFFAOYSA-N
norman_susdat_id: NS00021258
pubchem_cid: 5355255
smiles: CCc1c(C(=O)C)c(O)c2C(=O)c3c(cc(O)c(C(=O)O)c3C(=O)O)C(=O)c2c1O
inchi:
InChI=1S/C20H14O10/c1-3-6-9(5(2)21)17(25)14-13(15(6)23)16(24)7-4-8(22)11(19(27)28)12(20(29)30)10(7)18(14)26/h4,22-23,25H,3H2,1-2H3,(H,27,28)(H,29,30)


name: N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]benzamide
cas: 6219-97-2
dtxsid: DTXSID50884236
formula: C29H15F3N2O4
inchikey: JFNJYBPWYDSPLH-UHFFFAOYSA-N
norman_susdat_id: NS00043643
pubchem_cid: 80352
smiles: O=C(NC=1C=C2C(=O)C3=CC=C(C=C3NC2=C4C(=O)C=5C=CC=CC5C(=O)C14)C(F)(F)F)C=6C=CC=CC6
inchi:
InChI=1/C29H15F3N2O4/c30-29(31,32)15-10-11-18-20(12-15)33-24-19(25(18)35)13-21(34-28(38)14-6-2-1-3-7-14)22-23(24)27(37)17-9-5-4-8-16(17)26(22)36/h1-13H,(H,33,35)(H,34,38)


name: 1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl-
cas: 622-21-9
chemspiderid: 4527132
dtxsid: DTXSID8060747
formula: C21H18O1
inchikey: RLJALOQFYHCJKG-UHFFFAOYSA-N
norman_susdat_id: NS00034966
pubchem_cid: 101802
smiles: O=C(/C=C/C=C/c1ccccc1)/C=C/C=C/c1ccccc1
inchi:
InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+


name: Myristanilide
cas: 622-56-0
chemspiderid: 62533
dtxsid: DTXSID2060753
formula: C20H33N1O1
inchikey: LYSJUAWWUBVYCB-UHFFFAOYSA-N
norman_susdat_id: NS00034981
pubchem_cid: 69324
smiles: CCCCCCCCCCCCCC(=O)Nc1ccccc1
inchi:
InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(22)21-19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3,(H,21,22)


name: Bis(4-hydroxyphenethyldimethylammonium) sulphate
cas: 622-64-0
formula: C10H15NO.1/2H2O4S
inchikey: PKCUSEDYJXJFJO-UHFFFAOYSA-N
norman_susdat_id: NS00080295
smiles: C[NH+](C)CCc1ccc(O)cc1.C[NH+](C)CCc2ccc(O)cc2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C10H15NO.H2O4S/c2*1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h2*3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)


name: 4-(4-dimethylaminophenylazo)phenylarsonic acid
cas: 622-68-4
formula: C14H16AsN3O3
inchikey: VESQGSDAHXGDIU-UHFFFAOYSA-N
norman_susdat_id: NS00080274
smiles: O[As](O)(=O)c2ccc(N=Nc1ccc(cc1)N(C)C)cc2
inchi:
InChI=1/C14H16AsN3O3/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19,20)21/h3-10H,1-2H3,(H2,19,20,21)


name: 2'-deoxyguanosine 3'-(dihydrogen phosphate)
cas: 6220-62-8
dtxsid: DTXSID40977782
formula: C10H14N5O7P
inchikey: QQMSZHORHNORLP-UHFFFAOYSA-N
norman_susdat_id: NS00044361
pubchem_cid: NA
smiles: O=C1NC(=N)NC2=C1N=CN2C3OC(CO)C(OP(=O)(O)O)C3
inchi:
InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)


name: Disodium 2-aminonaphthalene-1,5-disulphonate
cas: 62203-79-6
formula: C10H9NO6S2.2Na
inchikey: ACBJGAPIXKDCRP-UHFFFAOYSA-L
norman_susdat_id: NS00088755
smiles: [Na+].[Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Tetrakis(decyl)ammonium perchlorate
cas: 62207-11-8
formula: C40H84N.ClO4
inchikey: SNXODLMVYXNJSH-UHFFFAOYSA-M
norman_susdat_id: NS00088349
smiles: CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C40H84N.ClHO4/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;2-1(3,4)5/h5-40H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: 3a,4,7,7a-tetrahydro-1,3(2H)-dioxo-4,7-methano-1H-isoindol-2-yl (benzyloxy)formate
cas: 62210-73-5
dtxsid: DTXSID70977795
formula: C17H15NO5
inchikey: SSVLHTOYYHGIND-UHFFFAOYSA-N
norman_susdat_id: NS00055867
pubchem_cid: 93913
smiles: O=C(ON1C(=O)C2C3C=CC(C3)C2C1=O)OCC=4C=CC=CC4
inchi:
InChI=1/C17H15NO5/c19-15-13-11-6-7-12(8-11)14(13)16(20)18(15)23-17(21)22-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2


cas: 62211-03-4
formula: C42H38O20.Ca
inchikey: JQVYZJIFFAHQKX-ZAULLPPESA-L
norman_susdat_id: NS00088350
name:
Calcium (R*,R*)-5,5'-bis(ß-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo[9,9'-bianthracene]-2,2'-dicarboxylate

inchi:
InChI=1/C42H38O20.Ca/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46;/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2

smiles:
[Ca+2].OC[C@H]1O[C@@H](Oc2cccc3C(C4c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(=O)[O-])c8cc(cc(O)c8C(=O)c23)C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O


name: Sodium 4-hydroxy-5-[(2-methoxy-4-nitrophenyl)azo]-6-(phenylamino)naphthalene-2-sulphonate
cas: 6222-55-5
formula: C23H19N4O7S
inchikey: MTSYJFXRUHYXME-UHFFFAOYSA-M
norman_susdat_id: NS00044268
pubchem_cid: 135750076
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(=CC=C3C=C(C=C(O)C32)S(=O)(=O)[O-])NC=4C=CC=CC4)C(OC)=C1
inchi:
InChI=1/C23H18N4O7S.Na/c1-34-21-12-16(27(29)30)8-10-18(21)25-26-23-19(24-15-5-3-2-4-6-15)9-7-14-11-17(35(31,32)33)13-20(28)22(14)23;/h2-13,24,28H,1H3,(H,31,32,33);/q;+1/p-1


name: Disodium 4-hydroxy-6-(phenylamino)-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 6222-56-6
formula: C22H17N3O7S2
inchikey: UPHLWZQAMNVWEX-UHFFFAOYSA-L
norman_susdat_id: NS00044816
pubchem_cid: 135755587
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC=4C=CC=CC4)C=C1
inchi:
InChI=1/C22H17N3O7S2.2Na/c26-22-19-13-17(23-15-4-2-1-3-5-15)7-6-14(19)12-20(34(30,31)32)21(22)25-24-16-8-10-18(11-9-16)33(27,28)29;;/h1-13,23,26H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 6222-60-2
dtxsid: DTXSID60977800
formula: C37H25N5O7S4
inchikey: BXXXGQSNYKDLCV-UHFFFAOYSA-L
norman_susdat_id: NS00044269
pubchem_cid: NA
name:
Disodium 2'-[4-[[1-hydroxy-7-(phenylamino)-3-sulphonato-2-naphthyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C37H25N5O7S4.2Na/c1-20-7-15-29-34(35(20)53(47,48)49)51-37(40-29)23-11-16-28-30(17-23)50-36(39-28)21-8-12-25(13-9-21)41-42-32-31(52(44,45)46)18-22-10-14-26(19-27(22)33(32)43)38-24-5-3-2-4-6-24;;/h2-19,38,43H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(C=C2C(O)=C1N=NC3=CC=C(C=C3)C4=NC5=CC=C(C=C5S4)C6=NC=7C=CC(=C(C7S6)S(=O)(=O)[O-])C)NC=8C=CC=CC8


name: Sodium 7-(acetylamino)-3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 6222-63-5
dtxsid: DTXSID8064143
formula: C20H18N4O6S
inchikey: MSZHEEJTTAUDJC-UHFFFAOYSA-M
norman_susdat_id: NS00043697
pubchem_cid: 80358
smiles: [Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)C)C=C1)C
inchi:
InChI=1/C20H18N4O6S.Na/c1-11(25)21-14-3-5-15(6-4-14)23-24-19-18(31(28,29)30)10-13-9-16(22-12(2)26)7-8-17(13)20(19)27;/h3-10,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30);/q;+1/p-1


name: 2-Anthracenesulfonic acid, 1-amino-4-[(4-aminophenyl)amino]-9,10-dihydro-9,10-dioxo-
cas: 6222-65-7
chemspiderid: 72588
dtxsid: DTXSID3064144
formula: C20H15N3O5S1
inchikey: ZCQMYMXRGJWSHH-UHFFFAOYSA-N
norman_susdat_id: NS00034968
pubchem_cid: 80359
smiles: Nc1ccc(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C20H15N3O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)


cas: 62223-58-9
formula: C26H18ClN9O14S3
inchikey: OEXWFTBEVWOXEJ-UHFFFAOYSA-N
norman_susdat_id: NS00055889
pubchem_cid: 6454367
name:
4-[[5-[[4-[(2-carboxy-4-sulphophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C26H18ClN9O14S3/c27-24-30-25(32-26(31-24)29-16-7-6-14(52(45,46)47)10-15(16)22(38)39)28-11-1-8-18(53(48,49)50)17(9-11)33-34-19-20(23(40)41)35-36(21(19)37)12-2-4-13(5-3-12)51(42,43)44/h1-10,19H,(H,38,39)(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,28,29,30,31,32)

smiles:
O=C(O)C1=CC(=CC=C1NC=2N=C(Cl)N=C(N2)NC3=CC=C(C(N=NC4C(=O)N(N=C4C(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)=C3)S(=O)(=O)O)S(=O)(=O)O


name: SODIUM GUIAZULENE SULFONATE
cas: 6223-35-4
chebiid: CHEBI:135153
chemspiderid: 2188
formula: C15H18O3S1
inchikey: VIZXMHCBZLGUET-UHFFFAOYSA-N
norman_susdat_id: NS00014056
pubchem_cid: 2275
smiles: [Na+].CC(C)c1ccc(C)c2c(c1)c(C)cc2[S]([O-])(=O)=O
inchi:
InChI=1S/C15H18O3S.Na/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)19(16,17)18;/h5-9H,1-4H3,(H,16,17,18);/q;+1/p-1


cas: 622402-22-6
dtxsid: DTXSID90977813
formula: C23H21F3N2O4S
inchikey: ILUPZUOBHCUBKB-UHFFFAOYSA-N
norman_susdat_id: NS00071442
pubchem_cid: 9956726
smiles: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc(OC(C)(C)C(=O)O)cc1
name:
2-(4-{[(Hydroxy{4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methylidene)amino]methyl}phenoxy)-2-methylpropanoic acid

inchi:
InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31)


name: Bis(2-(2-(2-(dodecyloxy)ethoxy)ethoxy)ethyl) hydrogen phosphate
cas: 62249-18-7
chemspiderid: 4956691
dtxsid: DTXSID30211309
formula: C36H75O10P1
inchikey: WADOGHZARUGFCV-UHFFFAOYSA-N
norman_susdat_id: NS00034977
pubchem_cid: 6454368
smiles: CCCCCCCCCCCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCCCCCCCCCCC
inchi:
InChI=1S/C36H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-39-25-27-41-29-31-43-33-35-45-47(37,38)46-36-34-44-32-30-42-28-26-40-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38)


name: Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-
cas: 62257-17-4
chemspiderid: 101116
dtxsid: DTXSID4069553
formula: C18H20Cl1N5O5
inchikey: ORCRYIVAJKZTLW-UHFFFAOYSA-N
norman_susdat_id: NS00034983
pubchem_cid: 112822
smiles: CC(=O)Nc1c(ccc(c1)N(CCO)CCO)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H20ClN5O5/c1-12(27)20-18-11-13(23(6-8-25)7-9-26)2-5-17(18)22-21-16-4-3-14(24(28)29)10-15(16)19/h2-5,10-11,25-26H,6-9H2,1H3,(H,20,27)/b22-21+


name: Disodium 7-hydroxy-8-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 6226-74-0
formula: C22H16N4O7S2
inchikey: JUNJEICOYHRSJS-UHFFFAOYSA-L
norman_susdat_id: NS00044382
pubchem_cid: 135755588
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C=CC4=CC=C(C=C43)S(=O)(=O)[O-])C=C2)C=C1
inchi:
InChI=1/C22H16N4O7S2.2Na/c27-21-12-2-14-1-9-19(35(31,32)33)13-20(14)22(21)26-25-16-5-3-15(4-6-16)23-24-17-7-10-18(11-8-17)34(28,29)30;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Disodium 3-hydroxy-4-(4-phenylazo)phenylazo)naphthalene-2,7-disulphonate
cas: 6226-78-4
formula: C22H16N4O7S2.2Na
inchikey: YDGHROMBRLEXLZ-UHFFFAOYSA-L
norman_susdat_id: NS00080881
smiles: Oc1c(N=Nc2ccc(cc2)N=Nc3ccccc3)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C22H16N4O7S2.2Na/c27-22-20(35(31,32)33)13-14-12-18(34(28,29)30)10-11-19(14)21(22)26-25-17-8-6-16(7-9-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/rC22H14N4Na2O7S2/c27-34-36(30,31)18-10-11-19-14(12-18)13-20(37(32,33)35-28)22(29)21(19)26-25-17-8-6-16(7-9-17)24-23-15-4-2-1-3-5-15/h1-13,29H


cas: 6226-79-5
chebiid: CHEBI:90319
dtxsid: DTXSID60889378
formula: C22H16N4O13S4
inchikey: KQHKSGRIBYJYFX-UHFFFAOYSA-J
norman_susdat_id: NS00044383
pubchem_cid: 408829
name:
Tetrasodium 3-hydroxy-4-(2-sulphonato-4-(4-sulphonatophenylazo)phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C(C=C4C=C(C=CC43)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C=C1


name: Disodium 3-hydroxy-4-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
cas: 6226-80-8
dtxsid: DTXSID10889505
formula: C24H20N4O7S2
inchikey: DMYYMROEUDSFIN-UHFFFAOYSA-L
norman_susdat_id: NS00044829
pubchem_cid: 165425
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(N=NC=4C=CC=CC4C)C=C3C)S(=O)(=O)[O-]
inchi:
InChI=1/C24H20N4O7S2.2Na/c1-14-5-3-4-6-20(14)26-25-17-7-10-21(15(2)11-17)27-28-23-19-9-8-18(36(30,31)32)12-16(19)13-22(24(23)29)37(33,34)35;;/h3-13,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: (RS)-2-(2-hydroxy-3-isopropylaminopropoxy)-4,6-dimethylbenzophenone hydrochloride
cas: 62261-89-6
dtxsid: DTXSID00211316
formula: C21H27NO3
inchikey: QXGWICIUAPRYQT-UHFFFAOYSA-N
norman_susdat_id: NS00057213
pubchem_cid: 20341532
smiles: Cl.O=C(C=1C=CC=CC1)C2=C(OCC(O)CNC(C)C)C=C(C=C2C)C
inchi:
InChI=1/C21H27NO3.ClH/c1-14(2)22-12-18(23)13-25-19-11-15(3)10-16(4)20(19)21(24)17-8-6-5-7-9-17;/h5-11,14,18,22-23H,12-13H2,1-4H3;1H


name: Quinfamide
cas: 62265-68-3
chebiid: CHEBI:135493
chemspiderid: 64787
dtxsid: DTXSID90211320
formula: C16H13Cl2N1O4
inchikey: SBJGFIXQRZOVTO-UHFFFAOYSA-N
norman_susdat_id: NS00034988
pubchem_cid: 71743
smiles: ClC(Cl)C(=O)N1CCCc2c1ccc(OC(=O)c1ccco1)c2
inchi:
InChI=1S/C16H13Cl2NO4/c17-14(18)15(20)19-7-1-3-10-9-11(5-6-12(10)19)23-16(21)13-4-2-8-22-13/h2,4-6,8-9,14H,1,3,7H2


name: (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl dipropionate hydrochloride
cas: 62268-07-9
chemspiderid: 21161963
dtxsid: DTXSID70211323
formula: C23H27N1O5
inchikey: BECXVFRWSMFNCZ-CBSATYQCSA-N
norman_susdat_id: NS00034989
pubchem_cid: 56841863
smiles: Cl.CCC(=O)OC1C=CC2C3Cc4c5c(OC1C25CCN3C)c(OC(=O)CC)cc4
inchi:
InChI=1S/C23H27NO5/c1-4-18(25)27-16-8-6-13-12-15-14-7-9-17(28-19(26)5-2)22-23(14,10-11-24(15)3)20(13)21(16)29-22/h6-9,14-15,17,22H,4-5,10-12H2,1-3H3/t14-,15+,17+,22-,23-/m1/s1


name: Niflumic acid met 28 -404
cas: 62268-47-7
chemspiderid: NA
formula: C15H11F3N2O6S1
inchikey: CGDHFNXRYXURLN-UHFFFAOYSA-N
norman_susdat_id: NS00000847
pubchem_cid: NA
smiles: FC(F)(c1cc(N(C(C)=O)c2ncccc2C(OS(=O)(O)=O)=O)ccc1)F
inchi:
InChI=1S/C15H11F3N2O6S/c1-9(21)20(11-5-2-4-10(8-11)15(16,17)18)13-12(6-3-7-19-13)14(22)26-27(23,24)25/h2-8H,1H3,(H,23,24,25)


cas: 6227-02-7
dtxsid: DTXSID00880364
formula: C26H19N5O8S2
inchikey: MMFAIRVIRUMWLM-UHFFFAOYSA-L
norman_susdat_id: NS00043698
pubchem_cid: 80370
name:
Disodium 7-amino-4-hydroxy-3-[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H19N5O8S2.2Na/c27-16-6-8-19-14(10-16)12-21(40(34,35)36)24(25(19)32)31-29-18-7-9-20-15(11-18)13-22(41(37,38)39)23(26(20)33)30-28-17-4-2-1-3-5-17;;/h1-13,32-33H,27H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)[O-])C=CC2=C(O)C1N=NC=5C=CC=CC5


cas: 6227-10-7
dtxsid: DTXSID70889506
formula: C32H29N5O7S2
inchikey: NJPXFJXCALXJCX-UHFFFAOYSA-L
norman_susdat_id: NS00044266
pubchem_cid: 165430
name:
Disodium 7-anilino-3-[[4-[(2,4-dimethyl-6-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C32H29N5O7S2.2Na/c1-18-12-21(4)30(28(13-18)45(39,40)41)36-34-26-14-20(3)27(15-19(26)2)35-37-31-29(46(42,43)44)17-22-16-24(10-11-25(22)32(31)38)33-23-8-6-5-7-9-23;;/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(C=CC2=C(O)C1N=NC=3C=C(C(N=NC=4C(=CC(=CC4S(=O)(=O)[O-])C)C)=CC3C)C)NC=5C=CC=CC5


name: C.I. Direct Violet 9, disodium salt
cas: 6227-14-1
chemspiderid: 21172293
dtxsid: DTXSID0041727
formula: C30H25N5O8S2
inchikey: WXYONRHRWMFURG-NDRCTJIESA-L
norman_susdat_id: NS00020011
pubchem_cid: NA
inchi:
InChI=1S/C30H25N5O8S2/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20/h3-17,31,34H,1-2H3,(H,37,38,39)(H,40,41,42)/b33-32+,35-29+

smiles:
[Na+].[Na+].COc1c(N/N=C2/C(=O)c3c(cc(Nc4ccccc4)cc3)C=C2S(=O)(=O)[O-])cc(C)c(c1)N=Nc1ccc(cc1)S(=O)(=O)[O-]


cas: 6227-20-9
dtxsid: DTXSID70881404
formula: C34H27N5O11S3
inchikey: VRVDFJOCCWSFLI-UHFFFAOYSA-K
norman_susdat_id: NS00043843
pubchem_cid: 80372
name:
Trisodium 3-[[4-[[6-(anilino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]naphthalene-1,5-disulphonate

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

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC=3C=C(OC)C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC=6C=CC=CC6)=CC3C)=CC2S(=O)(=O)[O-]


name: Triphenylpropylphosphonium bromide
cas: 6228-47-3
dtxsid: DTXSID80977847
formula: C21H22P
inchikey: XMQSELBBYSAURN-UHFFFAOYSA-M
norman_susdat_id: NS00043889
pubchem_cid: 80374
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCC
inchi:
InChI=1/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1


name: (S)-6-(p-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate
cas: 62284-79-1
dtxsid: DTXSID10977850
formula: C11H11BrN2S
inchikey: ZULBIBHDIQCNIS-HNCPQSOCSA-N
norman_susdat_id: NS00055893
pubchem_cid: 2724023
smiles: O=C(O)C(=O)O.BrC1=CC=C(C=C1)C2N=C3SCCN3C2
inchi:
InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)


name: 9-hydroxy-4-phenyl-1h,2h,3h,6h-pyrrolo[3,4-c]carbazole-1,3-dione
cas: 622864-54-4
dtxsid: DTXSID40402483
formula: C20H12N2O3
inchikey: IAUZTOZLTFSMIE-UHFFFAOYSA-N
norman_susdat_id: NS00070241
pubchem_cid: 4369491
smiles: O=C1NC(=O)c2c1c(-c1ccccc1)cc1[nH]c3ccc(O)cc3c21
inchi:
InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)


name: 1-[(2,4-dimethoxyphenyl)azo]-2-naphthol
cas: 62293-32-7
formula: C18H16N2O3
inchikey: YTDJHHZYTXVRHA-UHFFFAOYSA-N
norman_susdat_id: NS00056442
pubchem_cid: 3017329
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(OC)C=C3OC
inchi:
InChI=1/C18H16N2O3/c1-22-13-8-9-15(17(11-13)23-2)19-20-18-14-6-4-3-5-12(14)7-10-16(18)21/h3-11,21H,1-2H3


name: Ethyl 13-(cyclopent-2-enyl)tridecanoate
cas: 623-32-5
formula: C20H36O2
inchikey: FDGHZUQYDACRTA-UHFFFAOYSA-N
norman_susdat_id: NS00043275
pubchem_cid: 2700
smiles: O=C(OCC)CCCCCCCCCCCCC1C=CCC1
inchi:
InChI=1/C20H36O2/c1-2-22-20(21)18-12-10-8-6-4-3-5-7-9-11-15-19-16-13-14-17-19/h13,16,19H,2-12,14-15,17-18H2,1H3


name: Hexadecanoic anhydride
cas: 623-65-4
formula: C32H62O3
inchikey: QWZBEFCPZJWDKC-UHFFFAOYSA-N
norman_susdat_id: NS00043848
pubchem_cid: 69339
smiles: O=C(OC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3


name: 4-oxo-9,11,13-octadecatrienoic acid
cas: 623-99-4
formula: C18H28O3
inchikey: DTRGDWOPRCXRET-UHFFFAOYSA-N
norman_susdat_id: NS00042832
pubchem_cid: 101804
smiles: O=C(O)CCC(=O)CCCCC=CC=CC=CCCCC
inchi:
InChI=1/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)


name: 2-(2-(2-Hydroxyethoxy)ethoxy)ethyl palmitate
cas: 62304-85-2
chemspiderid: 2285092
dtxsid: DTXSID20211373
formula: C22H44O5
inchikey: KDXRKUWZYUGWKJ-UHFFFAOYSA-N
norman_susdat_id: NS00034999
pubchem_cid: 3017331
smiles: CCCCCCCCCCCCCCCC(=O)OCCOCCOCCO
inchi:
InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-20-26-19-18-25-17-16-23/h23H,2-21H2,1H3


name: Sodium N-acetyl-DL-tryptophanate
cas: 62307-74-8
formula: C13H14N2O3.Na
inchikey: UQSHZBSQKMVQBS-YDALLXLXSA-M
norman_susdat_id: NS00088134
smiles: [Na+].CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
inchi:
InChI=1/C13H14N2O3.Na/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11;/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1


name: 4-[[2,5-dimethyl-4-[(4-nitrophenyl)azo]phenyl]azo]-o-cresol
cas: 62308-13-8
formula: C21H20N5O3
inchikey: KTTUCENEGBNGPD-UHFFFAOYSA-N
norman_susdat_id: NS00055969
pubchem_cid: 3017332
smiles: O=[N+]([O-])C1=CC=C(N=NC=2C=C(C(N=NC3=CC=C(O)C(=C3)C)=CC2C)C)C=C1
inchi:
InChI=1/C21H19N5O3/c1-13-12-20(25-23-17-6-9-21(27)15(3)10-17)14(2)11-19(13)24-22-16-4-7-18(8-5-16)26(28)29/h4-12,27H,1-3H3


name: Tris[(2-ethylhexanoyl)oxy]methylstannane
cas: 62312-12-3
formula: C25H45O6Sn
inchikey: FFIHLVLZFQXBQE-UHFFFAOYSA-N
norman_susdat_id: NS00056484
pubchem_cid: 71438973
smiles: O=C(OC([Sn])(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC)C(CC)CCCC
inchi:
InChI=1/C25H45O6.Sn/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3;/h19-21H,7-18H2,1-6H3;/q;+3/rC25H45O6Sn/c1-7-13-16-19(10-4)22(26)29-25(32,30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3/q+3


name: (2-hydroxypropyl)trimethylammonium 2-ethylhexanoate
cas: 62314-22-1
formula: C8H15O2.C6H16NO
inchikey: HLFNUPJVFUAPLD-UHFFFAOYSA-M
norman_susdat_id: NS00088367
smiles: CCCCC(CC)C(=O)[O-].CC(O)C[N+](C)(C)C
inchi:
InChI=1/C8H16O2.C6H16NO/c1-3-5-6-7(4-2)8(9)10;1-6(8)5-7(2,3)4/h7H,3-6H2,1-2H3,(H,9,10);6,8H,5H2,1-4H3/q;+1/p-1


name: 3-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-
cas: 62315-07-5
dtxsid: DTXSID20399867
formula: C16H9F9N2O2
inchikey: HNVMERIRLUAKLX-UHFFFAOYSA-N
norman_susdat_id: NS00109518
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC1=CC=C(NC(=O)C2=CN=CC=C2)C=C1
inchi:
InChI=1S/C16H9F9N2O2/c17-13(18,15(21,22)23)14(19,20)16(24,25)29-11-5-3-10(4-6-11)27-12(28)9-2-1-7-26-8-9/h1-8H,(H,27,28)


name: 4-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-
cas: 62315-14-4
dtxsid: DTXSID80408727
formula: C16H9F9N2O2
inchikey: FHVZUCODTNXTFJ-UHFFFAOYSA-N
norman_susdat_id: NS00111582
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC1=CC=C(NC(=O)C2=CC=NC=C2)C=C1
inchi:
InChI=1S/C16H9F9N2O2/c17-13(18,15(21,22)23)14(19,20)16(24,25)29-11-3-1-10(2-4-11)27-12(28)9-5-7-26-8-6-9/h1-8H,(H,27,28)


name: N-[4-(Nonafluorobutoxy)phenyl]pyridine-3-carboxamide--hydrogen chloride (1/1)
cas: 62315-22-4
dtxsid: DTXSID40896247
formula: C16H10ClF9N2O2
inchikey: QGQYNMIUCCLFAD-UHFFFAOYSA-N
norman_susdat_id: NS00110434
smiles: Cl.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc(NC(=O)c2cccnc2)cc1
inchi:
InChI=1S/C16H9F9N2O2.ClH/c17-13(18,15(21,22)23)14(19,20)16(24,25)29-11-5-3-10(4-6-11)27-12(28)9-2-1-7-26-8-9;/h1-8H,(H,27,28);1H


name: N-[4-(Nonafluorobutoxy)phenyl]pyridine-4-carboxamide--hydrogen chloride (1/1)
cas: 62315-29-1
dtxsid: DTXSID20896240
formula: C16H10ClF9N2O2
inchikey: WVBXTQVJWWYEHC-UHFFFAOYSA-N
norman_susdat_id: NS00109746
smiles: Cl.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)Oc1ccc(NC(=O)c2ccncc2)cc1
inchi:
InChI=1S/C16H9F9N2O2.ClH/c17-13(18,15(21,22)23)14(19,20)16(24,25)29-11-3-1-10(2-4-11)27-12(28)9-5-7-26-8-6-9;/h1-8H,(H,27,28);1H


name: BMS-582949
cas: 623152-17-0
dtxsid: DTXSID90211380
formula: C22H26N6O2
inchikey: GDTQLZHHDRRBEB-UHFFFAOYSA-N
norman_susdat_id: NS00072193
pubchem_cid: 10409068
smiles: CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C
inchi:
InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)


name: Tetrasodium 5,5'-[(2,2'-disulphonato[1,1'-biphenyl]-4,4'-diyl)bis(azo)]disalicylate
cas: 6232-49-1
dtxsid: DTXSID2064151
formula: C26H18N4O12S2
inchikey: ICNXOXCTOLGHIJ-UHFFFAOYSA-J
norman_susdat_id: NS00043830
pubchem_cid: 80380
inchi:
InChI=1/C26H18N4O12S2.4Na/c31-21-7-3-13(9-19(21)25(33)34)27-29-15-1-5-17(23(11-15)43(37,38)39)18-6-2-16(12-24(18)44(40,41)42)30-28-14-4-8-22(32)20(10-14)26(35)36;;;;/h1-12,31-32H,(H,33,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(C3=CC=C(N=NC4=CC=C(O)C(=C4)C(=O)[O-])C=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])=CC=C1O


name: 2-(5-chloro-2,4-diaminophenylazo)-4,6-dinitrophenol
cas: 6232-53-7
formula: C12H11ClN6O5
inchikey: HCOPKOHYVNROPN-UHFFFAOYSA-N
norman_susdat_id: NS00044341
pubchem_cid: 3591886
smiles: O=[N+]([O-])C1=CC(N=NC2=CC(Cl)=C(N)C=C2N)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C12H9ClN6O5/c13-6-3-9(8(15)4-7(6)14)16-17-10-1-5(18(21)22)2-11(12(10)20)19(23)24/h1-4,20H,14-15H2


name: Sodium 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxytoluene-3-sulphonate
cas: 6232-55-9
dtxsid: DTXSID70884238
formula: C17H16N4O5S
inchikey: HLRSJCYLOAVRGQ-UHFFFAOYSA-M
norman_susdat_id: NS00043831
pubchem_cid: NA
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)S(=O)(=O)[O-])C)C=3C=CC=CC3
inchi:
InChI=1/C17H16N4O5S.Na/c1-10-8-13(16(22)14(9-10)27(24,25)26)18-19-15-11(2)20-21(17(15)23)12-6-4-3-5-7-12;/h3-9,15,22H,1-2H3,(H,24,25,26);/q;+1/p-1


name: 2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]methylamino]ethanol
cas: 6232-56-0
formula: C15H15Cl2N4O3
inchikey: MPIGKGDPQRWZLU-UHFFFAOYSA-N
norman_susdat_id: NS00043890
pubchem_cid: 22598
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2)N(C)CCO)C(Cl)=C1
inchi:
InChI=1/C15H14Cl2N4O3/c1-20(6-7-22)11-4-2-10(3-5-11)18-19-15-13(16)8-12(21(23)24)9-14(15)17/h2-5,8-9,22H,6-7H2,1H3


name: 4-((4-Aminophenyl)azo)-5-methyl-2-methoxyaniline
cas: 6232-57-1
chemspiderid: 72601
dtxsid: DTXSID7064152
formula: C14H16N4O1
inchikey: DBENZRUFCCLWPP-UHFFFAOYSA-N
norman_susdat_id: NS00021263
pubchem_cid: 80382
smiles: COc1cc(N=Nc2ccc(N)cc2)c(C)cc1N
inchi:
InChI=1S/C14H16N4O/c1-9-7-12(16)14(19-2)8-13(9)18-17-11-5-3-10(15)4-6-11/h3-8H,15-16H2,1-2H3/b18-17-


name: Propanenitrile, 3-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-
cas: 62331-46-8
chemspiderid: 90833
dtxsid: DTXSID3069560
formula: C17H15Cl2N5O3
inchikey: PAEXBWVMHCSRCV-UHFFFAOYSA-N
norman_susdat_id: NS00035010
pubchem_cid: 112833
smiles: OCCN(CCC#N)c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C17H15Cl2N5O3/c18-15-10-14(24(26)27)11-16(19)17(15)22-21-12-2-4-13(5-3-12)23(8-9-25)7-1-6-20/h2-5,10-11,25H,1,7-9H2/b22-21+


name: 5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium acetate
cas: 62332-09-6
formula: C19H18N3O.C2H3O2
inchikey: VSIGIHFSVXBOMQ-UHFFFAOYSA-M
norman_susdat_id: NS00088368
smiles: CN(C)c1cc2[o+]c3cc(N)c4ccccc4c3nc2cc1C.CC(=O)[O-]
inchi:
InChI=1/C19H18N3O.C2H4O2/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;1-2(3)4/h4-10H,20H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: Triethyl 1-(acetylamino)heptane-1,1,7-tricarboxylate
cas: 62333-39-5
chemspiderid: 2285093
dtxsid: DTXSID40211390
formula: C18H31N1O7
inchikey: GWLOQRTYICVFMV-UHFFFAOYSA-N
norman_susdat_id: NS00035012
pubchem_cid: 3017333
smiles: CCOC(=O)CCCCCCC(NC(=O)C)(C(=O)OCC)C(=O)OCC
inchi:
InChI=1S/C18H31NO7/c1-5-24-15(21)12-10-8-9-11-13-18(19-14(4)20,16(22)25-6-2)17(23)26-7-3/h5-13H2,1-4H3,(H,19,20)


name: Disodium 3,6-bis[(o-arsonophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 62337-00-2
formula: C22H18As2N4O14S2.2Na
inchikey: KSSZSGSRTIMTBY-UHFFFAOYSA-L
norman_susdat_id: NS00088369
inchi:
InChI=1/C22H18As2N4O14S2.2Na/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36;;/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2[As](O)(O)=O)c3O)S([O-])(=O)=O


name: 5-(acetylamino)-4-hydroxy-3-[(3-phosphonophenyl)azo]naphthalene-2,7-disulphonic acid
cas: 62346-00-3
formula: C18H16N3O11PS2
inchikey: RXJPLRCBOFBATC-UHFFFAOYSA-N
norman_susdat_id: NS00056392
pubchem_cid: 106614
smiles: O=C(NC1=CC(=CC=2C=C(C(N=NC3=CC=CC(=C3)P(=O)(O)O)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C
inchi:
InChI=1/C18H16N3O11PS2/c1-9(22)19-14-8-13(34(27,28)29)5-10-6-15(35(30,31)32)17(18(23)16(10)14)21-20-11-3-2-4-12(7-11)33(24,25)26/h2-8,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29)(H,30,31,32)


name: Methyl 11-methoxy-19a-methyl-2-oxoformosanan-16-carboxylate
cas: 62358-35-4
dtxsid: DTXSID10211403
formula: C22H26N2O5
inchikey: SRKHGHLMEDVZRX-BBSYRKDXSA-N
norman_susdat_id: NS00056487
pubchem_cid: 22294895
smiles: O=C(OC)C1=COC(C)C2CN3CCC4(C(=O)NC5=CC(OC)=CC=C54)C3CC12
inchi:
InChI=1/C22H26N2O5/c1-12-15-10-24-7-6-22(17-5-4-13(27-2)8-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)


name: Ethyldiisopropylammonium p-toluenesulphonate
cas: 62359-01-7
formula: C8H19N.C7H8O3S
inchikey: WALRQYFNEKCLGF-UHFFFAOYSA-N
norman_susdat_id: NS00088785
smiles: CC[NH+](C(C)C)C(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C8H19N.C7H8O3S/c1-6-9(7(2)3)8(4)5;1-6-2-4-7(5-3-6)11(8,9)10/h7-8H,6H2,1-5H3;2-5H,1H3,(H,8,9,10)


cas: 62361-02-8
dtxsid: DTXSID10896618
formula: C10H3F15O4
inchikey: GHVOMBWCWWGKJR-UHFFFAOYSA-N
norman_susdat_id: NS00057285
pubchem_cid: 6365576
smiles: O=C(OC)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
name:
Methyl 2,2,3,3,4,4-hexafluoro-4-[1,2,2-trifluoro-2-[(trifluorovinyl)oxy]-1-(trifluoromethyl)ethoxy]butyrate

inchi:
InChI=1/C10H3F15O4/c1-27-4(26)5(14,15)6(16,17)9(22,23)29-7(18,8(19,20)21)10(24,25)28-3(13)2(11)12/h1H3


name: 4,4'-Methylenebis(2-allylphenol)
cas: 62386-37-2
chemspiderid: 4956709
dtxsid: DTXSID20211439
formula: C19H20O2
inchikey: USBRHIZNALIOEI-UHFFFAOYSA-N
norman_susdat_id: NS00035026
pubchem_cid: 6454387
smiles: Oc1ccc(Cc2ccc(O)c(CC=C)c2)cc1CC=C
inchi:
InChI=1S/C19H20O2/c1-3-5-16-12-14(7-9-18(16)20)11-15-8-10-19(21)17(13-15)6-4-2/h3-4,7-10,12-13,20-21H,1-2,5-6,11H2


name: Cinnzeylanol
cas: 62394-04-1
chemspiderid: 35014063
dtxsid: DTXSID10977951
formula: C20H32O7
inchikey: TVHZPQAYPSOHQT-UHFFFAOYSA-N
norman_susdat_id: NS00067895
pubchem_cid: 11090292
inchi:
InChI=1S/C20H32O7/c1-10(2)15(22)9-17(24)13(4)8-18(25)14(15,5)20(17,26)19(27-18)12(21)11(3)6-7-16(13,19)23/h10-12,21-26H,6-9H2,1-5H3


name: Ethylene glycol dipalmitate
cas: 624-03-3
chemspiderid: 62556
dtxsid: DTXSID10211448
formula: C34H66O4
inchikey: IKVCSHRLYCDSFD-UHFFFAOYSA-N
norman_susdat_id: NS00002894
pubchem_cid: 69347
smiles: CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Dodecanoic acid, 1,2-ethanediyl ester
cas: 624-04-4
chemspiderid: 62557
dtxsid: DTXSID0060779
formula: C26H50O4
inchikey: ZVUNTIMPQCQCAQ-UHFFFAOYSA-N
norman_susdat_id: NS00013712
pubchem_cid: 69348
smiles: CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: Bis[(9R)-9-hydroxy-6'-methoxycinchonanium] sulphate
cas: 62409-09-0
formula: C20H24N2O2.1/2H2O4S
inchikey: RONWGALEIBILOG-UFDQHHKRSA-N
norman_susdat_id: NS00088786
inchi:
InChI=1/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)

smiles:
COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-]


name: Prostaglandin F2α 1-11-lactone
cas: 62410-84-8
chebiid: CHEBI:167814
chemspiderid: 4696837
formula: C20H32O4
inchikey: KBFCVOAVUKWCPS-YNNPMVKQSA-N
norman_susdat_id: NS00016936
pubchem_cid: 5771740
smiles: CCCCCC(C=CC1C2CC=CCCCC(=O)OC1CC2O)O
inchi:
InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-17-16-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1


name: 9,10-Anthracenedione, 1,4-dihydroxy-2-[(2-methoxyethyl)amino]-
cas: 62418-35-3
chemspiderid: 101134
dtxsid: DTXSID3069568
formula: C17H15N1O5
inchikey: OWPAMDNNHHBXRM-UHFFFAOYSA-N
norman_susdat_id: NS00035030
pubchem_cid: 112840
smiles: COCCNc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O
inchi:
InChI=1S/C17H15NO5/c1-23-7-6-18-11-8-12(19)13-14(17(11)22)16(21)10-5-3-2-4-9(10)15(13)20/h2-5,8,18-19,22H,6-7H2,1H3


name: Perfosfamide
cas: 62435-42-1
chebiid: CHEBI:135223
dtxsid: DTXSID2049058
formula: C7H15Cl2N2O4P
inchikey: VPAWVRUHMJVRHU-VGDKGRGNSA-N
norman_susdat_id: NS00072585
pubchem_cid: 9554809
smiles: O=[P@]1(N(CCCl)CCCl)N[C@H](OO)CCO1
inchi:
InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)/t7-,16-/m1/s1


name: p-cyanophenyl trans-4-propylcyclohexanecarboxylate
cas: 62439-33-2
dtxsid: DTXSID10886170
formula: C17H21NO2
inchikey: LXVTVIQMKOLVSY-CTYIDZIISA-N
norman_susdat_id: NS00056395
pubchem_cid: 112842
smiles: N#CC1=CC=C(OC(=O)C2CCC(CCC)CC2)C=C1
inchi:
InChI=1/C17H21NO2/c1-2-3-13-4-8-15(9-5-13)17(19)20-16-10-6-14(12-18)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3


name: p-cyanophenyl trans-4-pentylcyclohexanecarboxylate
cas: 62439-35-4
dtxsid: DTXSID30886172
formula: C19H25NO2
inchikey: JRNQQLWJXYJSRU-JCNLHEQBSA-N
norman_susdat_id: NS00057288
pubchem_cid: 112844
smiles: N#CC1=CC=C(OC(=O)C2CCC(CCCCC)CC2)C=C1
inchi:
InChI=1/C19H25NO2/c1-2-3-4-5-15-6-10-17(11-7-15)19(21)22-18-12-8-16(14-20)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3


name: Lauroyl-Coa
cas: 6244-92-4
chebiid: CHEBI:15521
dtxsid: DTXSID10211483
formula: C33H58N7O17P3S
inchikey: YMCXGHLSVALICC-GMHMEAMDSA-N
norman_susdat_id: NS00073114
pubchem_cid: 165436
inchi:
InChI=1S/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1

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


name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitro-6-(trifluoromethyl)aniline
cas: 62441-54-7
dtxsid: DTXSID0040331
formula: C14H8ClF6N3O4
inchikey: FVJQBZVCJVMBIP-UHFFFAOYSA-N
norman_susdat_id: NS00056871
pubchem_cid: 12797626
smiles: O=[N+]([O-])C=1C=C(C(NC2=CC(=CC=C2Cl)C(F)(F)F)=C(C1)C(F)(F)F)[N+](=O)[O-]
inchi:
InChI=1/C14H6ClF6N3O4/c15-9-2-1-6(13(16,17)18)3-10(9)22-12-8(14(19,20)21)4-7(23(25)26)5-11(12)24(27)28/h1-5,22H


name: Sodium 3-[[4-(benzoylethylamino)-2-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonate
cas: 6245-59-6
formula: C26H23N3O5S
inchikey: WQTYENAMNCPEFL-UHFFFAOYSA-M
norman_susdat_id: NS00044342
pubchem_cid: 135571002
smiles: [Na+].O=C(C=1C=CC=CC1)N(C2=CC=C(N=NC=3C=C(C=4C=CC=CC4C3O)S(=O)(=O)[O-])C(=C2)C)CC
inchi:
InChI=1/C26H23N3O5S.Na/c1-3-29(26(31)18-9-5-4-6-10-18)19-13-14-22(17(2)15-19)27-28-23-16-24(35(32,33)34)20-11-7-8-12-21(20)25(23)30;/h4-16,30H,3H2,1-2H3,(H,32,33,34);/q;+1/p-1


name: Sodium 6-amino-4-hydroxy-5-[[2-(phenylsulphonyl)phenyl]azo]naphthalene-2-sulphonate
cas: 6245-60-9
dtxsid: DTXSID30884239
formula: C22H17N3O6S2
inchikey: HJBFOCFLBVMVCF-UHFFFAOYSA-M
norman_susdat_id: NS00043836
pubchem_cid: 160816
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)C=4C=CC=CC4)=C1
inchi:
InChI=1/C22H17N3O6S2.Na/c23-17-11-10-14-12-16(33(29,30)31)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)32(27,28)15-6-2-1-3-7-15;/h1-13,26H,23H2,(H,29,30,31);/q;+1/p-1


cas: 62453-88-7
dtxsid: DTXSID30978021
formula: C24H32ClN3O3S
inchikey: RLFXOBFWTJBDLT-UHFFFAOYSA-N
norman_susdat_id: NS00055575
pubchem_cid: 16205171
smiles: O=S(=O)(C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)CC(OCCN(CC)CC)C
name:
2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethoxy]ethyl(diethyl)amine

inchi:
InChI=1/C24H32ClN3O3S/c1-4-27(5-2)16-17-31-19(3)18-32(29,30)23-12-10-22(11-13-23)28-15-14-24(26-28)20-6-8-21(25)9-7-20/h6-13,19H,4-5,14-18H2,1-3H3


name: 2-(4,6-diamino-m-tolylazo)-4,6-dinitrophenol
cas: 6247-27-4
formula: C13H14N6O5
inchikey: ZQOQTVZVXAHHAW-UHFFFAOYSA-N
norman_susdat_id: NS00043837
pubchem_cid: 3853781
smiles: O=[N+]([O-])C1=CC(N=NC=2C=C(C(N)=CC2N)C)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C13H12N6O5/c1-6-2-10(9(15)5-8(6)14)16-17-11-3-7(18(21)22)4-12(13(11)20)19(23)24/h2-5,20H,14-15H2,1H3


name: 4,6-dinitro-4'-methyl-2,2'-azodiphenol
cas: 6247-28-5
formula: C13H12N4O6
inchikey: FOKSPEFAGGJDHP-UHFFFAOYSA-N
norman_susdat_id: NS00044343
pubchem_cid: 5103752
smiles: O=[N+]([O-])C1=CC(N=NC2=CC(=CC=C2O)C)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C13H10N4O6/c1-7-2-3-12(18)9(4-7)14-15-10-5-8(16(20)21)6-11(13(10)19)17(22)23/h2-6,18-19H,1H3


name: 2-Anthracenesulfonic acid, 4-[[4-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-
cas: 6247-34-3
chemspiderid: 21475
dtxsid: DTXSID7064158
formula: C22H17N3O6S1
inchikey: CKDSSRXGNPFPPZ-UHFFFAOYSA-N
norman_susdat_id: NS00035038
pubchem_cid: 22936
smiles: CC(=O)Nc1ccc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)S(=O)(=O)O)cc1
inchi:
InChI=1S/C22H17N3O6S/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)


name: 4-[[4-(acetylmethylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 6247-37-6
dtxsid: DTXSID70863008
formula: C23H19N3O6S
inchikey: WSRPJLLCAIEYPG-UHFFFAOYSA-N
norman_susdat_id: NS00043853
pubchem_cid: 17574
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4)N(C(=O)C)C
inchi:
InChI=1/C23H19N3O6S/c1-12(27)26(2)14-9-7-13(8-10-14)25-17-11-18(33(30,31)32)21(24)20-19(17)22(28)15-5-3-4-6-16(15)23(20)29/h3-11,25H,24H2,1-2H3,(H,30,31,32)


name: C.I. 70500
cas: 6247-39-8
chemspiderid: 72609
dtxsid: DTXSID90211507
formula: C31H14N2O2
inchikey: KQXAEVNNCQHYTP-UHFFFAOYSA-N
norman_susdat_id: NS00021264
pubchem_cid: 80393
smiles: O=c1c2ccc3c4c2c(nn4c2ccc4c5c(cccc5)c(=O)c5ccc3c2c45)c2ccccc12
inchi:
InChI=1S/C31H14N2O2/c34-30-20-7-3-1-5-15(20)16-13-14-24-26-17(9-11-22(30)25(16)26)19-10-12-23-27-28(32-33(24)29(19)27)18-6-2-4-8-21(18)31(23)35/h1-14H


name: C.I. 69020
cas: 6247-46-7
chemspiderid: 171245
dtxsid: DTXSID50211508
formula: C43H25N3O7
inchikey: RPQNSJZVMKWIRT-UHFFFAOYSA-N
norman_susdat_id: NS00021265
pubchem_cid: 197846
smiles: COc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1c(ccc3c1[nH]c1c3cc(NC(=O)c3ccccc3)c3c1C(=O)c1c(cccc1)C3=O)C2=O
inchi:
InChI=1S/C43H25N3O7/c1-53-30-19-18-28(44-42(51)21-10-4-2-5-11-21)32-34(30)41(50)31-26(40(32)49)17-16-23-27-20-29(45-43(52)22-12-6-3-7-13-22)33-35(37(27)46-36(23)31)39(48)25-15-9-8-14-24(25)38(33)47/h2-20,46H,1H3,(H,44,51)(H,45,52)


name: [2-(diethylamino)ethyl]dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride hydrochloride
cas: 62470-85-3
dtxsid: DTXSID20978055
formula: C14H29N2O2
inchikey: USPDESVXTPIZKD-UHFFFAOYSA-M
norman_susdat_id: NS00056873
pubchem_cid: 3017343
smiles: [Cl-].Cl.O=C(OCC[N+](C)(C)CCN(CC)CC)C(=C)C
inchi:
InChI=1/C14H29N2O2.2ClH/c1-7-15(8-2)9-10-16(5,6)11-12-18-14(17)13(3)4;;/h3,7-12H2,1-2,4-6H3;2*1H/q+1;;/p-1


name: N6-(1-Oxotetradecyl)-L-lysine
cas: 62471-07-2
chemspiderid: 4956595
dtxsid: DTXSID80211511
formula: C20H40N2O3
inchikey: XTLFOGNEQSPWGW-SFHVURJKSA-N
norman_susdat_id: NS00035037
pubchem_cid: 6454263
smiles: CCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
inchi:
InChI=1S/C20H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h18H,2-17,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1


name: Tetraoctadecyl N,N'-(iminodiethylene)di(L-aspartate)
cas: 62477-04-7
formula: C84H165N3O8
inchikey: BLGWXFIUYYZNAI-LKVPSEKJSA-N
norman_susdat_id: NS00055617
pubchem_cid: 20841938
inchi:
InChI=1/C84H165N3O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73-92-81(88)77-79(83(90)94-75-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)86-71-69-85-70-72-87-80(84(91)95-76-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)78-82(89)93-74-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h79-80,85-87H,5-78H2,1-4H3

smiles:
O=C(OCCCCCCCCCCCCCCCCCC)CC(NCCNCCNC(C(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC


name: Octadecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatriaconta-2,9-dienoate
cas: 62480-03-9
formula: C60H112O8Sn
inchikey: CHOXPWSDXIXQDY-YPKQJYFLSA-L
norman_susdat_id: NS00056953
pubchem_cid: 53437849
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C22H40O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24;2*1-3-5-7-8-6-4-2;/h2*18-19H,2-17,20H2,1H3,(H,23,24);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC60H112O8Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-41-45-53-65-57(61)49-51-59(63)67-69(55-47-43-19-15-11-7-3,56-48-44-20-16-12-8-4)68-60(64)52-50-58(62)66-54-46-42-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h49-52H,5-48,53-56H2,1-4H3


name: (Z)-dec-1-enyldioctylaluminium
cas: 62493-32-7
formula: C26H53Al
inchikey: UWJGEOKDDWFZCQ-UHFFFAOYSA-N
norman_susdat_id: NS00088169
smiles: CCCCCCCC\C=C/[Al](CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C10H19.2C8H17.Al/c1-3-5-7-9-10-8-6-4-2;2*1-3-5-7-8-6-4-2;/h1,3H,4-10H2,2H3;2*1,3-8H2,2H3;/rC26H53Al/c1-4-7-10-13-16-17-20-23-26-27(24-21-18-14-11-8-5-2)25-22-19-15-12-9-6-3/h23,26H,4-22,24-25H2,1-3H3


name: desmethylcitalopram
cas: 62498-67-3
chebiid: CHEBI:80603
chemspiderid: 142424
dtxsid: DTXSID90881082
formula: C19H19F1N2O1
inchikey: PTJADDMMFYXMMG-UHFFFAOYSA-N
norman_susdat_id: NS00006900
pubchem_cid: 162180
smiles: CNCCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
inchi:
InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3


name: Pradefovir
cas: 625095-61-6
dtxsid: DTXSID10870372
formula: C17H19ClN5O4P
inchikey: GWNHAOBXDGOXRR-HJFSHJIFSA-N
norman_susdat_id: NS00069623
pubchem_cid: 9604654
smiles: Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
inchi:
InChI=1S/C17H19ClN5O4P/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21)/t14-,28+/m0/s1


name: 4-aminonaphthalene-2,7-disulphonic acid
cas: 6251-07-6
dtxsid: DTXSID1064164
formula: C10H9NO6S2
inchikey: NDYYJXGERWTRSD-UHFFFAOYSA-N
norman_susdat_id: NS00043906
pubchem_cid: 80397
smiles: O=S(=O)(O)C=1C=CC2=C(N)C=C(C=C2C1)S(=O)(=O)O
inchi:
InChI=1/C10H9NO6S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: Mianserin N-oxide
cas: 62510-46-7
chemspiderid: 2342189
dtxsid: DTXSID70891482
formula: C18H20N2O1
inchikey: VVDXWJOYXVNLLQ-UHFFFAOYSA-N
norman_susdat_id: NS00000594
pubchem_cid: 3085244
smiles: C[N+]1(CCN2c3ccccc3Cc4ccccc4C2C1)[O-]
inchi:
InChI=1S/C18H20N2O/c1-20(21)11-10-19-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(19)13-20/h2-9,18H,10-13H2,1H3


name: Riociguat
cas: 625115-55-1
chebiid: CHEBI:76018
dtxsid: DTXSID50978109
formula: C20H19FN8O2
inchikey: WXXSNCNJFUAIDG-UHFFFAOYSA-N
norman_susdat_id: NS00069317
pubchem_cid: 11304743
smiles: COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
inchi:
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)


name: Tris{4-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propyl]phenyl}phosphane
cas: 62512-90-7
dtxsid: DTXSID60681091
formula: C36H12F39O3P
inchikey: CRUUUYCRBZBYNA-UHFFFAOYSA-N
norman_susdat_id: NS00110906
inchi:
InChI=1S/C36H12F39O3P/c37-19(38,25(49,31(61,62)63)76-34(70,71)22(43,44)28(52,53)54)13-1-7-16(8-2-13)79(17-9-3-14(4-10-17)20(39,40)26(50,32(64,65)66)77-35(72,73)23(45,46)29(55,56)57)18-11-5-15(6-12-18)21(41,42)27(51,33(67,68)69)78-36(74,75)24(47,48)30(58,59)60/h1-12H

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


cas: 6252-57-9
formula: C46H31N7O14S4
inchikey: KQZDRGKMSIEFDF-UHFFFAOYSA-J
norman_susdat_id: NS00044363
pubchem_cid: 135565557
name:
Tetrasodium 4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-6-sulphonatonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C46H31N7O14S4.4Na/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27;;;;/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=C(C=C5C=C(C=C(O)C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC=CC36)=CC=C(N=NC=7C(O)=C8C=CC(=CC8=CC7S(=O)(=O)[O-])NC=9C=CC=CC9)C2C1


cas: 6252-62-6
chemspiderid: 72614
dtxsid: DTXSID6064165
formula: C30H26N12O6S2
inchikey: VTEBSADXXKSKOE-UHFFFAOYSA-L
norman_susdat_id: NS00020679
pubchem_cid: 80398
name:
Disodium 4,4'-{1,3-phenylenebis[(diazene-2,1-diyl)(4,6-diamino-3,1-phenylene)diazene-2,1-diyl]}di(benzene-1-sulfonate)

inchi:
InChI=1S/C30H26N12O6S2/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48)/b39-35+,40-36+,41-37-,42-38+

smiles:
[Na+].[Na+].Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)[O-])N=Nc1cc(ccc1)N=Nc1c(N)cc(N)c(c1)N=Nc1ccc(cc1)S(=O)(=O)[O-]


name: Vat Yellow 27
cas: 6252-73-9
chemspiderid: 72616
dtxsid: DTXSID90211562
formula: C26H11N3O4S1
inchikey: VAVINMPVFFDRLD-UHFFFAOYSA-N
norman_susdat_id: NS00021266
pubchem_cid: 80400
smiles: O=C1c2c(c3c4nc5ccccc5nc4c4cccc5c4c3n2S5(=O)=O)C(=O)c2c1cccc2
inchi:
InChI=1S/C26H11N3O4S/c30-25-12-6-1-2-7-13(12)26(31)24-20(25)19-22-21(27-15-9-3-4-10-16(15)28-22)14-8-5-11-17-18(14)23(19)29(24)34(17,32)33/h1-11H


name: Acid Violet 9
cas: 6252-76-2
chemspiderid: 55307
dtxsid: DTXSID3044968
formula: C34H26N2O6S1
inchikey: XRRSHJUXSQSJHZ-GOJREDGKSA-N
norman_susdat_id: NS00013511
pubchem_cid: NA
smiles: [Na+].Cc1ccccc1Nc2ccc3c(OC4=CC(C=CC4=C3c5ccccc5C(O)=O)=Nc6ccc(cc6C)[S]([O-])(=O)=O)c2
inchi:
InChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35H,1-2H3,(H,37,38)(H,39,40,41);/q;+1/p-1


name: 2-(2-oxo-2H-acenaphth-1-ylidene)benzo[b]thiophene-3(2H)-one
cas: 6252-78-4
formula: C20H10O2S
inchikey: UFLQLEHQELUPJU-UHFFFAOYSA-N
norman_susdat_id: NS00043306
pubchem_cid: 80401
smiles: O=C1C(SC=2C=CC=CC21)=C3C(=O)C4=CC=CC5=CC=CC3=C54
inchi:
InChI=1/C20H10O2S/c21-18-14-9-4-6-11-5-3-8-13(16(11)14)17(18)20-19(22)12-7-1-2-10-15(12)23-20/h1-10H


name: Tiemonium
cas: 6252-92-2
chebiid: CHEBI:135363
chemspiderid: 5274
formula: C18H24N1O2S1
inchikey: HJDYAOBDPZQHOD-UHFFFAOYSA-N
norman_susdat_id: NS00015414
pubchem_cid: 5473
smiles: C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O
inchi:
InChI=1S/C18H24NO2S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16/h2-8,15,20H,9-14H2,1H3/q+1


name: p-[[4-(phenylazo)-1-naphthyl]azo]phenol
cas: 6253-10-7
dtxsid: DTXSID1064166
formula: C22H16N4O
inchikey: FWTBRYBHCBCJEQ-UHFFFAOYSA-N
norman_susdat_id: NS00043358
pubchem_cid: 22625
smiles: OC1=CC=C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=4C=CC=CC24)C=C1
inchi:
InChI=1/C22H16N4O/c27-18-12-10-17(11-13-18)24-26-22-15-14-21(19-8-4-5-9-20(19)22)25-23-16-6-2-1-3-7-16/h1-15,27H


name: 2-Butenedioic acid (2Z)-, oxydi-2,1-ethanediyl ester
cas: 62538-61-8
chemspiderid: 4942288
dtxsid: DTXSID2069577
formula: C12H14O9
inchikey: UFEKWYVZBKRJRV-UHFFFAOYSA-N
norman_susdat_id: NS00035063
pubchem_cid: 112856
smiles: OC(=O)C=CC(=O)OCCOCCOC(=O)C=CC(O)=O
inchi:
InChI=1S/C12H14O9/c13-9(14)1-3-11(17)20-7-5-19-6-8-21-12(18)4-2-10(15)16/h1-4H,5-8H2,(H,13,14)(H,15,16)/b3-1-,4-2-


name: Palmitoyl sphingomyelin
cas: 6254-89-3
chebiid: CHEBI:78646
chemspiderid: 4956085
formula: C39H80N2O6P1
inchikey: RWKUXQNLWDTSLO-GWQJGLRPSA-N
norman_susdat_id: NS00017198
pubchem_cid: 9939941
smiles: CCCCCCCCCCCCCCCC(=N[C@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)COP(=O)(OCC[N+](C)(C)C)[O-])O
inchi:
InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1


name: Bis[N-(p-methoxyphenyl)-p-phenylenediamine] sulphate
cas: 6254-98-4
formula: C13H14N2O.1/2H2O4S
inchikey: PDIKQPGNGBZFRQ-UHFFFAOYSA-N
norman_susdat_id: NS00080315
smiles: COc1ccc(Nc2ccc(N)cc2)cc1.COc3ccc(Nc4ccc(N)cc4)cc3.OS(=O)(=O)O
inchi:
InChI=1/2C13H14N2O.H2O4S/c2*1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;1-5(2,3)4/h2*2-9,15H,14H2,1H3;(H2,1,2,3,4)


cas: 62546-04-7
formula: C18H19Br2N5O7S
inchikey: XVQUDMFIBXWVCQ-UHFFFAOYSA-N
norman_susdat_id: NS00056970
pubchem_cid: NA
smiles: O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)O)NC(=O)C(Br)CBr)C1C)CC
name:
2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulphonic acid

inchi:
InChI=1/C18H19Br2N5O7S/c1-3-25-17(28)13(15(21)26)8(2)14(18(25)29)24-23-11-6-9(22-16(27)10(20)7-19)4-5-12(11)33(30,31)32/h4-6,10,29H,3,7H2,1-2H3,(H2,21,26)(H,22,27)(H,30,31,32)


name: 4-[5-bromo-3-[bromo(2-chlorophenyl)methyl]-2-thienyl]-3-(chloromethyl)-5-methyl-4H-1,2,4-triazole
cas: 62551-57-9
dtxsid: DTXSID80978137
formula: C15H11Br2Cl2N3S
inchikey: WSPXLMNFAZLDLW-UHFFFAOYSA-N
norman_susdat_id: NS00056156
pubchem_cid: 6454422
smiles: ClC=1C=CC=CC1C(Br)C=2C=C(Br)SC2N3C(=NN=C3CCl)C
inchi:
InChI=1/C15H11Br2Cl2N3S/c1-8-20-21-13(7-18)22(8)15-10(6-12(16)23-15)14(17)9-4-2-3-5-11(9)19/h2-6,14H,7H2,1H3


name: Potassium (R)-a-[(3-methoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
cas: 62551-93-3
formula: C13H17NO4.K
inchikey: VVBKTJWFOLQGBR-UTONKHPSSA-M
norman_susdat_id: NS00088631
smiles: [K+].COC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1
inchi:
InChI=1/C13H17NO4.K/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1


name: 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-, phenyl ester
cas: 62554-36-3
chemspiderid: 101148
dtxsid: DTXSID7069578
formula: C23H15N1O6
inchikey: MHGYCNASCKWCTE-UHFFFAOYSA-N
norman_susdat_id: NS00035068
pubchem_cid: 112857
smiles: Oc1c(cc(Oc2ccc(cc2)[N+](=O)[O-])c2c1cccc2)C(=O)Oc1ccccc1
inchi:
InChI=1S/C23H15NO6/c25-22-19-9-5-4-8-18(19)21(29-17-12-10-15(11-13-17)24(27)28)14-20(22)23(26)30-16-6-2-1-3-7-16/h1-14,25H


name: Ethanol, 2-[ethyl[4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-, acetate (ester)
cas: 62554-89-6
chemspiderid: 101149
dtxsid: DTXSID2069579
formula: C19H22N4O6S1
inchikey: NUZMFISVXZGAJG-UHFFFAOYSA-N
norman_susdat_id: NS00035069
pubchem_cid: 112858
smiles: CCN(CCOC(=O)C)c1ccc(cc1)N=Nc1ccc(cc1S(=O)(=O)C)[N+](=O)[O-]
inchi:
InChI=1S/C19H22N4O6S/c1-4-22(11-12-29-14(2)24)16-7-5-15(6-8-16)20-21-18-10-9-17(23(25)26)13-19(18)30(3,27)28/h5-10,13H,4,11-12H2,1-3H3/b21-20+


name: 2,2'-(1,2-Ethanediylbis(iminocarbonyl))bisbenzoic acid
cas: 62554-97-6
chemspiderid: 4956743
dtxsid: DTXSID20211595
formula: C18H16N2O6
inchikey: VDGWBERLBOLCGW-UHFFFAOYSA-N
norman_susdat_id: NS00035070
pubchem_cid: 6454424
smiles: OC(=O)c1ccccc1C(=O)NCCNC(=O)c1ccccc1C(=O)O
inchi:
InChI=1S/C18H16N2O6/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)


name: Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-
cas: 62563-16-0
chemspiderid: 98035
dtxsid: DTXSID1069580
formula: C29H49Cl1N2O4S1
inchikey: JRLRLQORDCAMLV-UHFFFAOYSA-N
norman_susdat_id: NS00035075
pubchem_cid: 112859
smiles: CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(NC(=O)CC(=O)C(C)(C)C)c(Cl)cc1
inchi:
InChI=1S/C29H49ClN2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37(35,36)32-24-19-20-25(30)26(22-24)31-28(34)23-27(33)29(2,3)4/h19-20,22,32H,5-18,21,23H2,1-4H3,(H,31,34)


name: 3,4',5-tris(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol
cas: 6257-39-2
dtxsid: DTXSID70892090
formula: C24H34O
inchikey: USTAEAIVHPZIQS-UHFFFAOYSA-N
norman_susdat_id: NS00043952
pubchem_cid: 80404
smiles: OC=1C(=CC(=CC1C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C24H34O/c1-22(2,3)18-12-10-16(11-13-18)17-14-19(23(4,5)6)21(25)20(15-17)24(7,8)9/h10-15,25H,1-9H3


name: 2-[[4-[(2,4-dinitrophenyl)azo]phenyl]ethylamino]ethanol
cas: 62570-20-1
formula: C16H19N5O5
inchikey: JJZVLVUELJRGGM-UHFFFAOYSA-N
norman_susdat_id: NS00056971
pubchem_cid: 44092
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H17N5O5/c1-2-19(9-10-22)13-5-3-12(4-6-13)17-18-15-8-7-14(20(23)24)11-16(15)21(25)26/h3-8,11,22H,2,9-10H2,1H3


cas: 62570-24-5
dtxsid: DTXSID1069582
formula: C34H26N8O11S3
inchikey: LIKPRJJMRZYAOE-UHFFFAOYSA-N
norman_susdat_id: NS00056972
pubchem_cid: 135853715
name:
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-3-sulfophenyl]azo]-6-(phenylazo)-

inchi:
InChI=1/C34H26N8O11S3/c35-31-30-19(17-29(56(51,52)53)33(34(30)44)42-39-21-4-2-1-3-5-21)16-28(55(48,49)50)32(31)41-40-24-12-15-26(27(18-24)54(45,46)47)36-20-6-8-22(9-7-20)37-38-23-10-13-25(43)14-11-23/h1-18,36,43-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)

smiles:
O=S(=O)(O)C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(O)C=C5)C=C4)C(=C3)S(=O)(=O)O)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)O


name: Sodium p-[(4-amino-o-tolyl)azo]benzenesulphonate
cas: 62570-47-2
dtxsid: DTXSID6069583
formula: C13H13N3O3S
inchikey: JGQVKYYHPKELMJ-UHFFFAOYSA-M
norman_susdat_id: NS00056973
pubchem_cid: 112864
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N)C=C2C)C=C1
inchi:
InChI=1/C13H13N3O3S.Na/c1-9-8-10(14)2-7-13(9)16-15-11-3-5-12(6-4-11)20(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1


name: 2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-
cas: 62570-50-7
chemspiderid: 16271
dtxsid: DTXSID1069584
formula: C17H13N3O2
inchikey: ATXPWKWYLDEURI-UHFFFAOYSA-N
norman_susdat_id: NS00022552
pubchem_cid: 112865
smiles: CCNc1cc(C#N)c(N)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C17H13N3O2/c1-2-20-12-7-9(8-18)15(19)14-13(12)16(21)10-5-3-4-6-11(10)17(14)22/h3-7,20H,2,19H2,1H3


cas: 62572-84-3
formula: C42H30N10O11S2
inchikey: YBCFCHUWSLKEGT-UHFFFAOYSA-N
norman_susdat_id: NS00088653
name:
5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-2-sulphophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]-2-hydroxybenzoic acid

inchi:
InChI=1/C42H30N10O11S2/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50)

smiles:
OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)Nc8nc(Nc3ccccc3)nc(Nc7ccc(Nc6cc(c(N)c5C(=O)c4ccccc4C(=O)c56)S(O)(=O)=O)cc7S(O)(=O)=O)n8


name: 4,4'-cyclohexylidenedi-o-anisidine
cas: 6259-09-2
dtxsid: DTXSID10211625
formula: C20H26N2O2
inchikey: FDEGVVJIAUSFKX-UHFFFAOYSA-N
norman_susdat_id: NS00043359
pubchem_cid: 80411
smiles: O(C1=CC(=CC=C1N)C2(C3=CC=C(N)C(OC)=C3)CCCCC2)C
inchi:
InChI=1/C20H26N2O2/c1-23-18-12-14(6-8-16(18)21)20(10-4-3-5-11-20)15-7-9-17(22)19(13-15)24-2/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3


name: 2-Naphthol-3,6,8-trisulfonic acid
cas: 6259-66-1
chemspiderid: 72635
dtxsid: DTXSID90211628
formula: C10H8O10S3
inchikey: ANYNWDCUWOSEFH-UHFFFAOYSA-N
norman_susdat_id: NS00035087
pubchem_cid: 80419
smiles: Oc1cc2c(cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O10S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20)


name: Anthraquinone, 1-amino-4-hydroxy-2-(mercaptophenyl)-
cas: 62591-95-1
chemspiderid: 101160
dtxsid: DTXSID40211638
formula: C20H13N1O3S1
inchikey: KBLRWVXBAOMMNQ-UHFFFAOYSA-N
norman_susdat_id: NS00035082
pubchem_cid: 112870
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(O)cc1Sc1ccccc1
inchi:
InChI=1S/C20H13NO3S/c21-18-15(25-11-6-2-1-3-7-11)10-14(22)16-17(18)20(24)13-9-5-4-8-12(13)19(16)23/h1-10,22H,21H2


name: Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-
cas: 62592-39-6
chemspiderid: 101161
dtxsid: DTXSID1069586
formula: C12H15N1O6S1
inchikey: YTSYXEDYBAQECZ-UHFFFAOYSA-N
norman_susdat_id: NS00040736
pubchem_cid: 112871
smiles: COc1cc(c(C)cc1NC(=O)CC(C)=O)S(O)(=O)=O
inchi:
InChI=1S/C12H15NO6S/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18)


cas: 62592-60-3
formula: C54H58N8O9S2
inchikey: BIBDVUONOGUEJL-UHFFFAOYSA-N
norman_susdat_id: NS00057031
pubchem_cid: 173864
name:
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[[3-[[[3-[(3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-methoxyphenyl]sulfonyl]amino]phenyl]sulfonyl]amino]-1-hydroxy-

inchi:
InChI=1/C54H58N8O9S2/c1-8-53(3,4)35-24-26-47(43(30-35)54(5,6)9-2)71-29-16-15-28-56-51(64)42-33-44(40-22-13-14-23-41(40)50(42)63)61-73(68,69)38-21-17-18-36(31-38)60-72(66,67)39-25-27-48(70-7)45(32-39)57-58-49-46(34-55)59-62(52(49)65)37-19-11-10-12-20-37/h10-14,17-27,30-33,49,60-61,63H,8-9,15-16,28-29H2,1-7H3,(H,56,64)

smiles:
N#CC1=NN(C(=O)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)NC3=CC=CC(=C3)S(=O)(=O)NC4=CC(C(=O)NCCCCOC5=CC=C(C=C5C(C)(C)CC)C(C)(C)CC)=C(O)C=6C=CC=CC46)C=7C=CC=CC7


name: Myristic anhydride
cas: 626-29-9
formula: C28H54O3
inchikey: RCRYHUPTBJZEQS-UHFFFAOYSA-N
norman_susdat_id: NS00043481
pubchem_cid: 69377
smiles: O=C(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: 1-methylheptyl stearate
cas: 626-30-2
dtxsid: DTXSID50978169
formula: C26H52O2
inchikey: OMJRVNYAQYMXFR-UHFFFAOYSA-N
norman_susdat_id: NS00042926
pubchem_cid: 102453
smiles: O=C(OC(C)CCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25(3)23-21-9-7-5-2/h25H,4-24H2,1-3H3


name: 1,1',1''-(1,1,3-trimethyl-5-methylenepentane-1,3,5-triyl)tribenzene
cas: 62604-62-0
dtxsid: DTXSID40886486
formula: C27H30
inchikey: OAMAKKTXAPRVDG-UHFFFAOYSA-N
norman_susdat_id: NS00056208
pubchem_cid: 112502
smiles: C=C(C=1C=CC=CC1)CC(C=2C=CC=CC2)(C)CC(C=3C=CC=CC3)(C)C
inchi:
InChI=1/C27H30/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h5-19H,1,20-21H2,2-4H3


name: 1-(hydroxymethyl)pentadecyl palmitate
cas: 62604-71-1
dtxsid: DTXSID80978177
formula: C32H64O3
inchikey: YWTJQRJNUMEJEN-UHFFFAOYSA-N
norman_susdat_id: NS00056219
pubchem_cid: 3017349
smiles: O=C(OC(CO)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C32H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)35-31(30-33)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30H2,1-2H3


name: N-[5-[bis(2-methoxyethyl)amino]-2-[(2-iodo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide
cas: 62607-26-5
dtxsid: DTXSID00886487
formula: C21H27IN6O8
inchikey: SMHNZXAPRVGABZ-UHFFFAOYSA-N
norman_susdat_id: NS00057032
pubchem_cid: 21118982
smiles: O=C(NC=1C=C(C(OC)=CC1N=NC2=C(I)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCOC)CCOC)C
inchi:
InChI=1/C21H25IN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)


cas: 62609-83-0
dtxsid: DTXSID20886489
formula: C40H40N3
inchikey: KBPXLYPIBPBLTJ-UHFFFAOYSA-M
norman_susdat_id: NS00056116
pubchem_cid: NA
smiles: [I-].C=1C=CC(=C(C1)NN2C(=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C=C(C=C2C=5C=CC(=CC5)C)C=6C=CC(=CC6)C)C
name:
1,3,3-trimethyl-2-[3-[1-methylanilino-4,6-di-p-tolyl-1H-pyridin-2-ylidene]prop-1-enyl]-3H-indolium iodide

inchi:
InChI=1/C40H40N3.HI/c1-28-18-22-31(23-19-28)33-26-34(13-11-17-39-40(4,5)35-14-8-10-16-37(35)42(39)6)43(41-36-15-9-7-12-30(36)3)38(27-33)32-24-20-29(2)21-25-32;/h7-27,41H,1-6H3;1H/q+1;/p-1


name: Methyl 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoate
cas: 62609-84-1
dtxsid: DTXSID30886490
formula: C21H21Cl2NO5
inchikey: PCTGLIYVNCBXCA-UHFFFAOYSA-N
norman_susdat_id: NS00055664
pubchem_cid: 112506
smiles: O=C(OC)C1=CC=C(OC(C(=O)NC2=CC=C(Cl)C=C2Cl)C(=O)C(C)(C)C)C=C1
inchi:
InChI=1/C21H21Cl2NO5/c1-21(2,3)18(25)17(19(26)24-16-10-7-13(22)11-15(16)23)29-14-8-5-12(6-9-14)20(27)28-4/h5-11,17H,1-4H3,(H,24,26)


name: Benzenesulfonic acid, 3,3'-(3-oxo-1(3H)-isobenzofuranylidene)bis[6-hydroxy-, sodium salt (1:3)
cas: 62609-87-4
dtxsid: DTXSID00889796
formula: C20H11Na3O10S2
inchikey: BLWPFMRCWCZECF-UHFFFAOYSA-K
norman_susdat_id: NS00093663
smiles: [Na+].[Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=CC=CC=C12)C1=CC=C([O-])C(=C1)S([O-])(=O)=O
inchi:
InChI=1/C20H14O10S2.3Na/c21-15-7-5-11(9-17(15)31(24,25)26)20(14-4-2-1-3-13(14)19(23)30-20)12-6-8-16(22)18(10-12)32(27,28)29;;;/h1-10,21-22H,(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3


name: 2-(3-pentadecylphenoxy)butyryl chloride
cas: 62609-88-5
dtxsid: DTXSID50886492
formula: C25H41ClO2
inchikey: ZTVBCGCJXWTUIA-UHFFFAOYSA-N
norman_susdat_id: NS00056117
pubchem_cid: 112508
smiles: O=C(Cl)C(OC1=CC=CC(=C1)CCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C25H41ClO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3


cas: 62609-95-4
dtxsid: DTXSID60889797
formula: C20H16N4O10S3
inchikey: ONPVJTNZMBIEFF-UHFFFAOYSA-K
norman_susdat_id: NS00056221
pubchem_cid: 112877
name:
Trisodium 3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C20H16N4O10S3.3Na/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31;;;/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]


name: 4-Cyanophenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate
cas: 62614-51-1
chemspiderid: 4956752
dtxsid: DTXSID30211662
formula: C25H23N1O2
inchikey: KSTDUUFIIKDDDT-SFHVURJKSA-N
norman_susdat_id: NS00035099
pubchem_cid: 6454435
smiles: CC[C@H](C)Cc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
inchi:
InChI=1S/C25H23NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-15,18H,3,16H2,1-2H3/t18-/m0/s1


name: 4-(Hexyloxy)phenyl (S)-4'-(2-methylbutyl)(1,1'-biphenyl)-4-carboxylate
cas: 62614-61-3
chemspiderid: 4956753
dtxsid: DTXSID90211663
formula: C30H36O3
inchikey: OBIDYWBGFBESTE-QHCPKHFHSA-N
norman_susdat_id: NS00035100
pubchem_cid: 6454436
smiles: CCCCCCOOC(=O)c1ccc(c2ccc(C[C@@H](C)CC)cc2)c(c1)c1ccccc1
inchi:
InChI=1S/C30H36O3/c1-4-6-7-11-20-32-33-30(31)27-18-19-28(29(22-27)25-12-9-8-10-13-25)26-16-14-24(15-17-26)21-23(3)5-2/h8-10,12-19,22-23H,4-7,11,20-21H2,1-3H3/t23-/m0/s1


cas: 6262-07-3
dtxsid: DTXSID30889507
formula: C32H23N5O7S2
inchikey: WXUZMLVSQROLEX-UHFFFAOYSA-L
norman_susdat_id: NS00044416
pubchem_cid: 80423
name:
Disodium 6-hydroxy-5-[[4-[[4-(phenylamino)-3-sulphonatophenyl]azo]naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C32H23N5O7S2.2Na/c38-30-17-10-20-18-23(45(39,40)41)12-13-24(20)32(30)37-36-28-16-15-27(25-8-4-5-9-26(25)28)35-34-22-11-14-29(31(19-22)46(42,43)44)33-21-6-2-1-3-7-21;;/h1-19,33,38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(N=NC4=CC=C(NC=5C=CC=CC5)C(=C4)S(=O)(=O)[O-])C=6C=CC=CC36)=C1


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-
cas: 6262-21-1
chemspiderid: 72638
dtxsid: DTXSID4038895
formula: C20H8Cl4O5
inchikey: QCPFFGGFHNZBEP-UHFFFAOYSA-N
norman_susdat_id: NS00003996
pubchem_cid: 80424
smiles: Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1
inchi:
InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H


name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester
cas: 62622-42-8
chemspiderid: 7943
dtxsid: DTXSID0069591
formula: C31H27N1O2
inchikey: VQODCFCSVNXBEE-UHFFFAOYSA-N
norman_susdat_id: NS00035104
pubchem_cid: 112879
smiles: CCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C31H27NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h6-21H,2-5H2,1H3


name: Butanoic acid, (3-oxo-1(3H)-isobenzofuranylidene)di-4,1-phenylene ester
cas: 62625-15-4
chemspiderid: 88629
dtxsid: DTXSID5069592
formula: C28H26O6
inchikey: JKODXQNSKLMPQT-UHFFFAOYSA-N
norman_susdat_id: NS00035107
pubchem_cid: 98158
smiles: CCCC(=O)Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(OC(=O)CCC)cc1
inchi:
InChI=1S/C28H26O6/c1-3-7-25(29)32-21-15-11-19(12-16-21)28(24-10-6-5-9-23(24)27(31)34-28)20-13-17-22(18-14-20)33-26(30)8-4-2/h5-6,9-18H,3-4,7-8H2,1-2H3


name: Tripotassium 2-[hydroxybis[4-(sulphonatooxy)phenyl]methyl]benzoate
cas: 62625-16-5
dtxsid: DTXSID20889798
formula: C20H16O11S2
inchikey: PLHSVCWOEHYSHO-UHFFFAOYSA-K
norman_susdat_id: NS00055684
pubchem_cid: 112882
smiles: [K+].[K+].[K+].O=C([O-])C=1C=CC=CC1C(O)(C2=CC=C(OS(=O)(=O)[O-])C=C2)C3=CC=C(OS(=O)(=O)[O-])C=C3
inchi:
InChI=1/C20H16O11S2.3K/c21-19(22)17-3-1-2-4-18(17)20(23,13-5-9-15(10-6-13)30-32(24,25)26)14-7-11-16(12-8-14)31-33(27,28)29;;;/h1-12,23H,(H,21,22)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3


cas: 62625-21-2
formula: C27H30O5S.Na
inchikey: BAVBEHWEOJMHDS-UHFFFAOYSA-L
norman_susdat_id: NS00088196
smiles: [Na+].CC(C)c1cc(c(C)cc1[O-])C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c([O-])cc4C
name:
Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenolate] S,S-dioxide

inchi:
InChI=1/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-2


cas: 62625-28-9
dtxsid: DTXSID5069596
formula: C19H10Br4O5S
inchikey: TWKDJMRHSLWRFI-UHFFFAOYSA-M
norman_susdat_id: NS00056262
pubchem_cid: NA
smiles: [Na+].O=C1C(Br)=CC(C=C1Br)=C(C2=CC(Br)=C(O)C(Br)=C2)C=3C=CC=CC3S(=O)(=O)[O-]
name:
Sodium a-(3,5-dibromo-4-oxo-2,5-cyclohexadienylidene)-a-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate

inchi:
InChI=1/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1


name: Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-methylphenolate) S,S-dioxide
cas: 62625-29-0
formula: C21H18O5S.Na
inchikey: FMKJVYROEYMYFV-UHFFFAOYSA-L
norman_susdat_id: NS00088215
smiles: [Na+].Cc1cc(ccc1[O-])C2(OS(=O)(=O)c3ccccc23)c4ccc([O-])c(C)c4
inchi:
InChI=1/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-2


cas: 62625-30-3
dtxsid: DTXSID60978190
formula: C21H16Br2O5S
inchikey: KVSJYIXUWNOWBD-UHFFFAOYSA-M
norman_susdat_id: NS00056192
pubchem_cid: NA
smiles: [Na+].O=C1C(Br)=CC(C=C1C)=C(C2=CC(Br)=C(O)C(=C2)C)C=3C=CC=CC3S(=O)(=O)[O-]
name:
Sodium a-(3-bromo-5-methyl-4-oxo-2,5-cyclohexadienylidene)-a-(3-bromo-5-methyl-4-hydroxyphenyl)toluenesulphonate

inchi:
InChI=1/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1


cas: 62625-31-4
dtxsid: DTXSID30897405
formula: C21H17NaO5S
inchikey: KMXOGGPOKJLSPQ-UHFFFAOYSA-M
norman_susdat_id: NS00093666
smiles: [Na+].CC1=C(C=CC(O)=C1)C1(C2=C(OS1(=O)=O)C=CC=C2)C1=C(C)C=C([O-])C=C1
name:
Phenol, 4,​4'-​(2,​2-​dioxido-​3H-​1,​2-​benzoxathiol-​3-​ylidene)​bis[3-​methyl-​, sodium salt (1:1)

inchi:
InChI=1/C21H18O5S.Na/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)26-27(21,24)25;/h3-12,22-23H,1-2H3;/q;+1/p-1


cas: 62625-32-5
dtxsid: DTXSID3044704
formula: C20H12Br4O5S
inchikey: WDZYSVYEWJXXBJ-UHFFFAOYSA-M
norman_susdat_id: NS00056193
pubchem_cid: NA
smiles: [Na+].O=C1C(Br)=CC(=C(C2=CC(Br)=C(O)C(Br)=C2)C=3C=CC=CC3S(=O)(=O)[O-])C(=C1Br)C
name:
Sodium a-(3,5-dibromo-2-methyl-4-oxo-2,5-cyclohexadienylidene)-a-(3,5-dibromo-4-hydroxyphenyl)toluenesulphonate

inchi:
InChI=1/C20H12Br4O5S.Na/c1-9-12(8-15(23)20(26)18(9)24)17(10-6-13(21)19(25)14(22)7-10)11-4-2-3-5-16(11)30(27,28)29;/h2-8,25H,1H3,(H,27,28,29);/q;+1/p-1


name: 1-[4-(4-fluorophenyl)-4-phenylbutyl]piperazine
cas: 6263-54-3
dtxsid: DTXSID20978191
formula: C20H25FN2
inchikey: IVBRMABBDOJLRU-UHFFFAOYSA-N
norman_susdat_id: NS00043360
pubchem_cid: 110813
smiles: FC1=CC=C(C=C1)C(C=2C=CC=CC2)CCCN3CCNCC3
inchi:
InChI=1/C20H25FN2/c21-19-10-8-18(9-11-19)20(17-5-2-1-3-6-17)7-4-14-23-15-12-22-13-16-23/h1-3,5-6,8-11,20,22H,4,7,12-16H2


name: 9,9'-[azobis(p-phenyleneazo)]bis[2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizine]
cas: 62635-31-8
formula: C36H36N8
inchikey: GDKOEXXUQDZOLC-UHFFFAOYSA-N
norman_susdat_id: NS00056263
pubchem_cid: 6454438
smiles: N(=NC1=CC=C(N=NC=2C=C3C4=C(C2)CCCN4CCC3)C=C1)C5=CC=C(N=NC=6C=C7C8=C(C6)CCCN8CCC7)C=C5
inchi:
InChI=1/C36H36N8/c1-5-25-21-33(22-26-6-2-18-43(17-1)35(25)26)41-39-31-13-9-29(10-14-31)37-38-30-11-15-32(16-12-30)40-42-34-23-27-7-3-19-44-20-4-8-28(24-34)36(27)44/h9-16,21-24H,1-8,17-20H2


name: Lead bis(4-cyclohexylbutyrate)
cas: 62637-99-4
formula: C10H18O2.1/2Pb
inchikey: CCJZHCZMNGUOCA-UHFFFAOYSA-L
norman_susdat_id: NS00088264
smiles: [Pb+2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC1CCCCC1
inchi:
InChI=1/2C10H18O2.Pb.2H/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;;/h2*9H,1-8H2,(H,11,12);;;/q;;+4;;/p-2/r2C10H18O2.H2Pb/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);1H2/q;;+4/p-2


name: (2-ethoxy-1-propenyl)triphenylphosphonium iodide
cas: 62639-97-8
formula: C23H24OP
inchikey: USVXHKAXMCEZRL-UHFFFAOYSA-M
norman_susdat_id: NS00055729
pubchem_cid: 198431
smiles: [I-].O(C(=C[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C)CC
inchi:
InChI=1/C23H24OP.HI/c1-3-24-20(2)19-25(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23;/h4-19H,3H2,1-2H3;1H/q+1;/p-1


name: 4,4'-methylenebis[N-furfurylideneaniline]
cas: 6264-59-1
formula: C23H18N2O2
inchikey: MAKABEVBNIJHPX-UHFFFAOYSA-N
norman_susdat_id: NS00043964
pubchem_cid: 111180
smiles: N(=CC=1OC=CC1)C2=CC=C(C=C2)CC3=CC=C(N=CC=4OC=CC4)C=C3
inchi:
InChI=1/C23H18N2O2/c1-3-22(26-13-1)16-24-20-9-5-18(6-10-20)15-19-7-11-21(12-8-19)25-17-23-4-2-14-27-23/h1-14,16-17H,15H2


name: 1-Amino-4-((1-methylethyl)amino)anthraquinone
cas: 62649-65-4
chemspiderid: 4956762
dtxsid: DTXSID70211702
formula: C17H16N2O2
inchikey: XESMZIWBJZMRDK-UHFFFAOYSA-N
norman_susdat_id: NS00022558
pubchem_cid: 6454445
smiles: CC(C)Nc1c2C(=O)c3c(cccc3)C(=O)c2c(N)cc1
inchi:
InChI=1S/C17H16N2O2/c1-9(2)19-13-8-7-12(18)14-15(13)17(21)11-6-4-3-5-10(11)16(14)20/h3-9,19H,18H2,1-2H3


name: Bopindolol
cas: 62658-63-3
chebiid: CHEBI:143782
chemspiderid: 40146
dtxsid: DTXSID6022684
formula: C23H28N2O3
inchikey: UUOJIACWOAYWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00003299
pubchem_cid: 44112
smiles: Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1
inchi:
InChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3


name: Mesudipine
cas: 62658-88-2
dtxsid: DTXSID00978230
formula: C19H24N2O4S
inchikey: DYGIPCPWPHKLMC-UHFFFAOYSA-N
norman_susdat_id: NS00055730
pubchem_cid: 68817
smiles: O=C(OCC)C1=C(NC(=C(C(=O)OCC)C1C2=CC=CN=C2SC)C)C
inchi:
InChI=1/C19H24N2O4S/c1-6-24-18(22)14-11(3)21-12(4)15(19(23)25-7-2)16(14)13-9-8-10-20-17(13)26-5/h8-10,16,21H,6-7H2,1-5H3


name: Piperazinium thymol-6-sulphonate
cas: 6266-81-5
formula: C10H14O4S.C4H10N2
inchikey: VJOODGFNRKLOGH-UHFFFAOYSA-N
norman_susdat_id: NS00080347
smiles: CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].C2C[NH2+]CCN2
inchi:
InChI=1/C10H14O4S.C4H10N2/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;1-2-6-4-3-5-1/h4-6,11H,1-3H3,(H,12,13,14);5-6H,1-4H2


name: Progabide
cas: 62666-20-0
chemspiderid: 10642379
dtxsid: DTXSID00878140
formula: C17H16Cl1F1N2O2
inchikey: IBALRBWGSVJPAP-FXBPSFAMSA-N
norman_susdat_id: NS00004318
pubchem_cid: NA
smiles: OC(=N)CCCN=C(c1ccc(Cl)cc1)c1cc(F)ccc1O
inchi:
InChI=1S/C17H16ClFN2O2/c18-12-5-3-11(4-6-12)17(21-9-1-2-16(20)23)14-10-13(19)7-8-15(14)22/h3-8,10,22H,1-2,9H2,(H2,20,23)/b21-17-


name: 5,9-bis(ethylamino)-10-methylbenzo[a]phenoxazin-7-ium perchlorate
cas: 62669-60-7
dtxsid: DTXSID80886501
formula: C21H22N3O
inchikey: MMBVYZXBUHNKNO-UHFFFAOYSA-M
norman_susdat_id: NS00057061
pubchem_cid: NA
smiles: O=Cl(=O)(=O)[O-].N=1C=2C=C(C(=CC2[O+]=C3C=C(NCC)C=4C=CC=CC4C13)NCC)C
inchi:
InChI=1/C21H22N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,22-23H,4-5H2,1-3H3;(H,2,3,4,5)/q+1;/p-1


name: Magnesium cyclohexanebutyrate (1:2)
cas: 62669-64-1
formula: C10H18O2.1/2Mg
inchikey: DDSDKNOTMDIFLF-UHFFFAOYSA-L
norman_susdat_id: NS00088483
smiles: [MgH2].[O-]C(=O)CCCC1CCCCC1.[O-]C(=O)CCCC2CCCCC2
inchi:
InChI=1/2C10H18O2.Mg.2H/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;;;/h2*9H,1-8H2,(H,11,12);;;/q;;+2;;/p-2/r2C10H18O2.H2Mg/c2*11-10(12)8-4-7-9-5-2-1-3-6-9;/h2*9H,1-8H2,(H,11,12);1H2/q;;+2/p-2


name: 9-(2-carboxyphenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium perchlorate
cas: 62669-66-3
formula: C26H27N2O3.ClO4
inchikey: FPULXSKZHJZMJW-UHFFFAOYSA-M
norman_susdat_id: NS00088059
smiles: CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)O)c2cc1C.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C26H26N2O3.ClHO4/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23;2-1(3,4)5/h7-14,27-28H,5-6H2,1-4H3;(H,2,3,4,5)


name: 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride
cas: 62669-70-9
dtxsid: DTXSID00886503
formula: C21H17N2O3
inchikey: TUFFYSFVSYUHPA-UHFFFAOYSA-M
norman_susdat_id: NS00055379
pubchem_cid: NA
smiles: [Cl-].O=C(OC)C=1C=CC=CC1C=2C=3C=CC(N)=CC3[O+]=C4C=C(N)C=CC42
inchi:
InChI=1/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1


cas: 62669-75-4
chemspiderid: 101202
dtxsid: DTXSID0069622
formula: C20H23N1O4
inchikey: XSHJSSYQUYNTBG-UHFFFAOYSA-N
norman_susdat_id: NS00035124
pubchem_cid: 112912
smiles: CC(C)(C)OC(=O)c1cc2c(oc1=O)c1c3N(CCCc3c2)CCC1
name:
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, 1,1-dimethylethyl ester

inchi:
InChI=1S/C20H23NO4/c1-20(2,3)25-19(23)15-11-13-10-12-6-4-8-21-9-5-7-14(16(12)21)17(13)24-18(15)22/h10-11H,4-9H2,1-3H3


name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(methylamino)-, perchlorate
cas: 62669-77-6
chemspiderid: 58719
dtxsid: DTXSID5069623
formula: C22H18N2O3
inchikey: NDZSJVYEQJETNT-UHFFFAOYSA-N
norman_susdat_id: NS00035125
pubchem_cid: NA
smiles: CNc1cc2c(cc1)c(c1ccc(=NC)cc1o2)c1c(cccc1)C(=O)[O-]
inchi:
InChI=1S/C22H18N2O3/c1-23-13-7-9-17-19(11-13)27-20-12-14(24-2)8-10-18(20)21(17)15-5-3-4-6-16(15)22(25)26/h3-12,23H,1-2H3,(H,25,26)/b24-14+


name: 4'-amino-2',5'-dimethoxybenzanilide
cas: 6268-05-9
dtxsid: DTXSID4064187
formula: C15H16N2O3
inchikey: DDRCIGNRLHTTIW-UHFFFAOYSA-N
norman_susdat_id: NS00043993
pubchem_cid: 80442
smiles: O=C(NC=1C=C(OC)C(N)=CC1OC)C=2C=CC=CC2
inchi:
InChI=1/C15H16N2O3/c1-19-13-9-12(14(20-2)8-11(13)16)17-15(18)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3,(H,17,18)


cas: 62698-56-0
dtxsid: DTXSID50889802
formula: C30H26N2O13
inchikey: WCODCQAZATVMQI-UHFFFAOYSA-I
norman_susdat_id: NS00055928
pubchem_cid: 2521
name:
Tetrasodium 2-[2,7-bis[[bis(carboxylatomethyl)amino]methyl]-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoate

inchi:
InChI=1/C30H26N2O13.4Na/c33-21-7-23-19(5-15(21)9-31(11-25(35)36)12-26(37)38)29(17-3-1-2-4-18(17)30(43)44)20-6-16(22(34)8-24(20)45-23)10-32(13-27(39)40)14-28(41)42;;;;/h1-8,33H,9-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1C2=C3C=C(C(=O)C=C3OC=4C=C(O)C(=CC42)CN(CC(=O)[O-])CC(=O)[O-])CN(CC(=O)[O-])CC(=O)[O-]


name: Octadecanoic acid, 1,2-ethanediyl ester
cas: 627-83-8
chebiid: CHEBI:177103
chemspiderid: 55120
dtxsid: DTXSID6027260
formula: C38H74O4
inchikey: FPVVYTCTZKCSOJ-UHFFFAOYSA-N
norman_susdat_id: NS00004011
pubchem_cid: 61174
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Isopentyl stearate
cas: 627-88-3
chemspiderid: 62605
dtxsid: DTXSID20211772
formula: C23H46O2
inchikey: WDQOEAOLRIMQDA-UHFFFAOYSA-N
norman_susdat_id: NS00022567
pubchem_cid: 69397
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C
inchi:
InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h22H,4-21H2,1-3H3


name: Isopentyl oleate
cas: 627-89-4
formula: C23H44O2
inchikey: PHUSOTFVZQDLMC-QXMHVHEDSA-N
norman_susdat_id: NS00042679
pubchem_cid: 11759957
smiles: O=C(OCCC(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)25-21-20-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3


name: Potassium carboxylatomethyl stearate
cas: 62701-02-4
formula: C20H38O4.K
inchikey: CENDLXXXKOPCBM-UHFFFAOYSA-M
norman_susdat_id: NS00088496
smiles: [K+].CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[O-]
inchi:
InChI=1/C20H38O4.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22;/h2-18H2,1H3,(H,21,22);/q;+1/p-1


name: 4-Oxoretinol
cas: 62702-55-0
dtxsid: DTXSID80866949
formula: C20H28O2
inchikey: PLIUCYCUYQIBDZ-SSFHJJDOSA-N
norman_susdat_id: NS00073628
smiles: CC1=C(/C=C/C(C)=C/C=CC(C)=CCO)C(C)(C)CCC1=O
inchi:
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6-,10-9+,15-7+,16-12+


name: 3,8-diimino-2,4,7,9-tetraazadecanediamidine disulphate
cas: 62708-53-6
dtxsid: DTXSID5069629
formula: C6H16N10
inchikey: ITDIOCKDLUQLRN-UHFFFAOYSA-N
norman_susdat_id: NS00055954
pubchem_cid: 112925
smiles: O=S(=O)(O)O.O=S(=O)(O)O.N=C(N)NC(=N)NCCNC(=N)NC(=N)N
inchi:
InChI=1/C6H16N10.2H2O4S/c7-3(8)15-5(11)13-1-2-14-6(12)16-4(9)10;2*1-5(2,3)4/h1-2H2,(H6,7,8,11,13,15)(H6,9,10,12,14,16);2*(H2,1,2,3,4)


name: Disodium 4-ethoxy-5-hydroxynaphthalene-2,7-disulphonate
cas: 6272-19-1
formula: C12H12O8S2
inchikey: VEZGIIZOKYHKRR-UHFFFAOYSA-L
norman_susdat_id: NS00044460
pubchem_cid: 81281
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(OCC)C=C(C=C2C1)S(=O)(=O)[O-]
inchi:
InChI=1/C12H12O8S2.2Na/c1-2-20-11-6-9(22(17,18)19)4-7-3-8(21(14,15)16)5-10(13)12(7)11;;/h3-6,13H,2H2,1H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2


name: Tetrasodium 3,3'-azobis[6-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate]
cas: 6272-71-5
formula: C28H22N4O16S4
inchikey: WMXWHKMEODSTIM-SGFVGHTISA-J
norman_susdat_id: NS00044444
pubchem_cid: 6454460
inchi:
InChI=1/C28H20N4O16S4.4Na/c33-31(34)23-11-7-19(27(15-23)51(43,44)45)3-1-17-5-9-21(13-25(17)49(37,38)39)29-30-22-10-6-18(26(14-22)50(40,41)42)2-4-20-8-12-24(32(35)36)16-28(20)52(46,47)48;;;;/h1-16H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])C(=C3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


name: LAPYRIUM CHLORIDE
cas: 6272-74-8
chebiid: CHEBI:135534
chemspiderid: 21241
formula: C21H35N2O3
inchikey: UGJWZYARKOFRDB-UHFFFAOYSA-O
norman_susdat_id: NS00013808
pubchem_cid: 22660
smiles: [Cl-].CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1
inchi:
InChI=1S/C21H34N2O3.ClH/c1-2-3-4-5-6-7-8-9-11-14-21(25)26-18-15-22-20(24)19-23-16-12-10-13-17-23;/h10,12-13,16-17H,2-9,11,14-15,18-19H2,1H3;1H


name: Di(D-glucitol) phthalate
cas: 62736-00-9
chemspiderid: 4956779
dtxsid: DTXSID60211817
formula: C20H30O14
inchikey: PCPLYUPBOWYYEK-VMAIWCPRSA-N
norman_susdat_id: NS00035151
pubchem_cid: 6454462
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC(=O)c1ccccc1C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C20H30O14/c21-5-11(23)15(27)17(29)13(25)7-33-19(31)9-3-1-2-4-10(9)20(32)34-8-14(26)18(30)16(28)12(24)6-22/h1-4,11-18,21-30H,5-8H2/t11-,12-,13+,14+,15-,16-,17-,18-/m1/s1


name: 2,6-bis(4-methoxybenzylidene)cyclohexan-1-one
cas: 6275-32-7
formula: C22H22O3
inchikey: ZYMUNTZVOUBQAI-UHFFFAOYSA-N
norman_susdat_id: NS00043812
pubchem_cid: 97742
smiles: O=C1C(=CC2=CC=C(OC)C=C2)CCCC1=CC3=CC=C(OC)C=C3
inchi:
InChI=1/C22H22O3/c1-24-20-10-6-16(7-11-20)14-18-4-3-5-19(22(18)23)15-17-8-12-21(25-2)13-9-17/h6-15H,3-5H2,1-2H3


name: 4-chloro-2-(4-chloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
cas: 6275-44-1
formula: C16H8Cl2N2O2
inchikey: ARRVPHBRLHNLMH-UHFFFAOYSA-N
norman_susdat_id: NS00044466
pubchem_cid: NA
smiles: O=C1C(NC=2C=CC=C(Cl)C12)=C3NC=4C=CC=C(Cl)C4C3=O
inchi:
InChI=1/C16H8Cl2N2O2/c17-7-3-1-5-9-11(7)15(21)13(19-9)14-16(22)12-8(18)4-2-6-10(12)20-14/h1-6,19-20H


name: BMS-564929
cas: 627530-84-1
dtxsid: DTXSID50432357
formula: C14H12ClN3O3
inchikey: KEJORAMIZFOODM-PWSUYJOCSA-N
norman_susdat_id: NS00069614
pubchem_cid: 9882972
smiles: Cc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1Cl
inchi:
InChI=1S/C14H12ClN3O3/c1-7-9(3-2-8(6-16)11(7)15)18-13(20)12-10(19)4-5-17(12)14(18)21/h2-3,10,12,19H,4-5H2,1H3/t10-,12+/m1/s1


name: Sodium p-[[p-(diethylamino)phenyl]azo]benzenesulphonate
cas: 62758-12-7
formula: C16H19N3O3S.Na
inchikey: YZORUOZKRBVLEG-UHFFFAOYSA-M
norman_susdat_id: NS00088081
smiles: [Na+].CCN(CC)c2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2
inchi:
InChI=1/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1


cas: 62758-15-0
formula: C25H28N2O6S2.C14H15N3O3S.2Na
inchikey: QZATZDKHJDOZFD-UHFFFAOYSA-L
norman_susdat_id: NS00088517
name:
1,3-Benzenedisulfonic acid, 4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-, monosodium salt, compd. with sodium 4-[[4-(dimethylamino)phenyl]azo]benzenesulfonate (1:1)

inchi:
InChI=1/C25H28N2O6S2.C14H15N3O3S.2Na/c1-5-26-22-11-7-18(13-16(22)3)25(19-8-12-23(27-6-2)17(4)14-19)21-10-9-20(34(28,29)30)15-24(21)35(31,32)33;1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;;/h7-15,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);3-10H,1-2H3,(H,18,19,20);;/q;;2*+1/p-2

smiles:
[Na+].[Na+].CN(C)c1ccc(cc1)N=Nc2ccc(cc2)S([O-])(=O)=O.[O-]S(=O)(=O)c1ccc(c(c1)S(O)(=O)=O)C(c2ccc(NCC)c(C)c2)=C/3/C=C\C(=NCC)C(\C)=C\3


name: Bis[tris(2-hydroxyethyl)ammonium] tetradecyl phosphate
cas: 62763-70-6
formula: C14H31O4P.2C6H15NO3
inchikey: NWLRZIJCJXANSV-UHFFFAOYSA-N
norman_susdat_id: NS00088518
smiles: CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO
inchi:
InChI=1/C14H31O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*8-4-1-7(2-5-9)3-6-10/h2-14H2,1H3,(H2,15,16,17);2*8-10H,1-6H2


name: Bis[tris(2-hydroxyethyl)ammonium] hexadecyl phosphate
cas: 62763-71-7
formula: C16H35O4P.2C6H15NO3
inchikey: HHKXNZMUFVCLJQ-UHFFFAOYSA-N
norman_susdat_id: NS00088125
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO
inchi:
InChI=1/C16H35O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*8-4-1-7(2-5-9)3-6-10/h2-16H2,1H3,(H2,17,18,19);2*8-10H,1-6H2


name: (3ß,20ß)-3-acetoxy-11-oxoolean-12-en-29-oic acid
cas: 6277-14-1
formula: C32H48O5
inchikey: FTQDJVZNPJRVPG-WXXPLGAQSA-N
norman_susdat_id: NS00044467
pubchem_cid: 234783
smiles: O=C(OC1CCC2(C)C3C(=O)C=C4C5CC(C(=O)O)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)C
inchi:
InChI=1/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)


name: 6β-Prostaglandin I1
cas: 62770-50-7
formula: C20H34O5
inchikey: RJADQDXZYFCVHV-JQMWNLLFSA-N
norman_susdat_id: NS00096439
smiles: CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O
inchi:
InChI=1S/C20H34O5/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/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17?,18+,19+/m0/s1


name: (6R,8xi)-11,15-Dihydroxy-6,9-epoxyprost-13-en-1-oic acid
cas: 62777-90-6
chebiid: CHEBI:141586
chemspiderid: 14993176
dtxsid: DTXSID00724557
formula: C20H34O5
inchikey: RJADQDXZYFCVHV-WDONHGPHSA-N
norman_susdat_id: NS00016931
pubchem_cid: 35024150
smiles: CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O
inchi:
InChI=1S/C20H34O5/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/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15+,16+,17+,18+,19-/m0/s1


name: N,N'-bis[3-(dimethylamino)propyl]dithiooxamide
cas: 62778-13-6
dtxsid: DTXSID4069638
formula: C12H26N4O2S4
inchikey: BCXSNULCPMAWQV-UHFFFAOYSA-N
norman_susdat_id: NS00055426
pubchem_cid: NA
smiles: O=C(NSSCCCN(C)C)C(=O)NSSCCCN(C)C
inchi:
InChI=1/C12H26N4O2S4/c1-15(2)7-5-9-19-21-13-11(17)12(18)14-22-20-10-6-8-16(3)4/h5-10H2,1-4H3,(H,13,17)(H,14,18)


name: 5-[(butylamino)sulphonyl]-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 62778-15-8
formula: C11H16N3O3S.1/2Cl4Zn
inchikey: FTXDCIPDQPYBQG-UHFFFAOYSA-J
norman_susdat_id: NS00088136
smiles: CCCCNS(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCCCNS(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H16N3O3S.4ClH.Zn/c2*1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12;;;;;/h2*5-6,8,13H,3-4,7H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O3S.Cl4Zn/c2*1-3-4-7-13-18(15,16)9-5-6-11(17-2)10(8-9)14-12;1-5(2,3)4/h2*5-6,8,13H,3-4,7H2,1-2H3;/q2*+1;-2


name: Butanedioic acid, bis(2,2,6,6-tetramethyl-4-piperidinyl) ester
cas: 62782-03-0
chemspiderid: 84265
dtxsid: DTXSID5073581
formula: C22H40N2O4
inchikey: GOJOVSYIGHASEI-UHFFFAOYSA-N
norman_susdat_id: NS00005400
pubchem_cid: 93340
smiles: CC1(C)CC(CC(C)(C)N1)OC(=O)CCC(=O)OC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C22H40N2O4/c1-19(2)11-15(12-20(3,4)23-19)27-17(25)9-10-18(26)28-16-13-21(5,6)24-22(7,8)14-16/h15-16,23-24H,9-14H2,1-8H3


cas: 62796-27-4
formula: C28H31O7P.2Na
inchikey: SQUIXVJVXGLUIW-UHFFFAOYSA-L
norman_susdat_id: NS00088520
smiles: [Na+].[Na+].CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)([O-])[O-])cc4C
name:
Disodium 4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl phosphate

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


name: p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-ethylpropane-1,3-diol (1:2)
cas: 62796-28-5
formula: C6H6NO6P.2C5H13NO2
inchikey: YVXXRFJXBIWXFT-UHFFFAOYSA-N
norman_susdat_id: NS00088521
smiles: CCC(N)(CO)CO.CCC(N)(CO)CO.OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1/C6H6NO6P.2C5H13NO2/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*1-2-5(6,3-7)4-8/h1-4H,(H2,10,11,12);2*7-8H,2-4,6H2,1H3


name: 9-[4-(chlorosulphonyl)-2-sulphonatophenyl]-3,6-bis(diethylamino)xanthylium
cas: 62796-29-6
dtxsid: DTXSID20978459
formula: C27H30ClN2O6S2
inchikey: AVQIKQWZRRIHGJ-UHFFFAOYSA-M
norman_susdat_id: NS00055836
pubchem_cid: NA
smiles: O=S(=O)([O-])C=1C=C(C=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC)S(=O)(=O)Cl
inchi:
InChI=1/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3


name: Carbamic acid, [[[(cyclohexylamino)carbonyl]imino](dimethylamino)methyl]methyl-, ethyl ester
cas: 62806-49-9
chemspiderid: 100850
dtxsid: DTXSID8069648
formula: C14H26N4O3
inchikey: UJHNZPYZZZECRI-UHFFFAOYSA-N
norman_susdat_id: NS00035170
pubchem_cid: 112525
smiles: CCOC(=O)N(C)C(=NC(=O)NC1CCCCC1)N(C)C
inchi:
InChI=1S/C14H26N4O3/c1-5-21-14(20)18(4)13(17(2)3)16-12(19)15-11-9-7-6-8-10-11/h11H,5-10H2,1-4H3,(H,15,19)/b16-13-


name: 1,3,5-Tricyclohexyl-1,3,5-triazinane
cas: 6281-14-7
chemspiderid: 72687
dtxsid: DTXSID8044705
formula: C21H39N3
inchikey: ZLLRUEJANKJPQE-UHFFFAOYSA-N
norman_susdat_id: NS00001999
pubchem_cid: 80478
smiles: C1CCC(CC1)N1CN(CN(C1)C1CCCCC1)C1CCCCC1
inchi:
InChI=1S/C21H39N3/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h19-21H,1-18H2


name: Propanenitrile, 3-(octadecylamino)-
cas: 6281-72-7
chemspiderid: 72691
dtxsid: DTXSID9075400
formula: C21H42N2
inchikey: GUBPKKGRODRXPY-UHFFFAOYSA-N
norman_susdat_id: NS00035182
pubchem_cid: 80490
smiles: CCCCCCCCCCCCCCCCCCNCCC#N
inchi:
InChI=1S/C21H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h23H,2-18,20-21H2,1H3


name: Ormaplatin
cas: 62816-98-2
chebiid: CHEBI:85605
dtxsid: DTXSID50897225
formula: C6H14Cl4N2Pt
inchikey: VPOCYEOOFRNHNL-RQDPQJJXSA-J
norman_susdat_id: NS00075473
smiles: [H][N]1([H])[C@@H]2CCCC[C@H]2[N]([H])([H])[Pt]1(Cl)(Cl)(Cl)Cl
inchi:
InChI=1S/C6H14N2.4ClH.Pt/c7-5-3-1-2-4-6(5)8;;;;;/h5-6H,1-4,7-8H2;4*1H;/q;;;;;+4/p-4/t5-,6-;;;;;/m1...../s1


name: D-Phenylalanyl-N-[(3-chlorophenyl)methyl]-L-prolinamide
cas: 628262-82-8
dtxsid: DTXSID70648418
formula: C21H24ClN3O2
inchikey: CJHLRGCXPGIPCB-MOPGFXCFSA-N
norman_susdat_id: NS00070922
pubchem_cid: 25011732
smiles: N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1
inchi:
InChI=1S/C21H24ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h1-4,6-9,12,18-19H,5,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1


name: 6,6,9-Trimethyl-3-(2-phenylpropan-2-yl)-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
cas: 628263-22-9
chemspiderid: 8423597
dtxsid: DTXSID50745439
formula: C25H30O2
inchikey: GZYXCXRHVALIJD-WOJBJXKFSA-N
norman_susdat_id: NS00017727
pubchem_cid: 10248110
smiles: CC1=CCC2C(C1)C3=C(C=C(C=C3O)C(C)(C)C4=CC=CC=C4)OC2(C)C
inchi:
InChI=1S/C25H30O2/c1-16-11-12-20-19(13-16)23-21(26)14-18(15-22(23)27-25(20,4)5)24(2,3)17-9-7-6-8-10-17/h6-11,14-15,19-20,26H,12-13H2,1-5H3/t19-,20-/m1/s1


name: 1-allyl-3-butyl-8-(n-acetyl-4-aminobenzyl)-xanthine
cas: 628279-02-7
formula: C21H25N5O3
inchikey: XFOWZKUTPKXWIE-UHFFFAOYSA-N
norman_susdat_id: NS00071275
pubchem_cid: 447076
smiles: C=CCn1c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc2n(CCCC)c1=O
inchi:
InChI=1S/C21H25N5O3/c1-4-6-12-25-19-18(20(28)26(11-5-2)21(25)29)23-17(24-19)13-15-7-9-16(10-8-15)22-14(3)27/h5,7-10H,2,4,6,11-13H2,1,3H3,(H,22,27)(H,23,24)


cas: 628279-07-2
formula: C25H26FN5O3
inchikey: JHSHXKJSPVHPCJ-UHFFFAOYSA-N
norman_susdat_id: NS00071283
pubchem_cid: 447371
smiles: CCCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21
name:
N-[4-({3-butyl-1-[(2-fluorophenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl}methyl)phenyl]acetamide

inchi:
InChI=1S/C25H26FN5O3/c1-3-4-13-30-23-22(24(33)31(25(30)34)15-18-7-5-6-8-20(18)26)28-21(29-23)14-17-9-11-19(12-10-17)27-16(2)32/h5-12H,3-4,13-15H2,1-2H3,(H,27,32)(H,28,29)


name: 4-aminophenylmercury acetate
cas: 6283-24-5
formula: C8H9HgNO2
inchikey: RXSUFCOOZSGWSW-UHFFFAOYSA-M
norman_susdat_id: NS00080953
smiles: CC(=O)[O-].Nc1ccc([Hg+])cc1
inchi:
InChI=1/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h2-5H,7H2;1H3,(H,3,4);/q;;+1/p-1/rC6H6HgN.C2H4O2/c7-5-1-3-6(8)4-2-5;1-2(3)4/h1-4H,8H2;1H3,(H,3,4)/q+1;/p-1


name: Octadecanoic acid, 12-hydroxy-, 2,3-dihydroxypropyl ester
cas: 6284-43-1
chemspiderid: 86104
dtxsid: DTXSID00884246
formula: C21H42O5
inchikey: RVNAQNUKCZKJCP-UHFFFAOYSA-N
norman_susdat_id: NS00007795
pubchem_cid: 95408
smiles: CCCCCCC(O)CCCCCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C21H42O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h19-20,22-24H,2-18H2,1H3


name: Zidometacin
cas: 62851-43-8
chemspiderid: 40199
dtxsid: DTXSID40212024
formula: C19H16N4O4
inchikey: DCXHLPGLBYHNMU-UHFFFAOYSA-N
norman_susdat_id: NS00035195
pubchem_cid: 44179
smiles: COc1cc2c(cc1)n(C(=O)c1ccc(cc1)N=[N+]=[N-])c(C)c2CC(=O)O
inchi:
InChI=1S/C19H16N4O4/c1-11-15(10-18(24)25)16-9-14(27-2)7-8-17(16)23(11)19(26)12-3-5-13(6-4-12)21-22-20/h3-9H,10H2,1-2H3,(H,24,25)


name: Lodyne S 103A
cas: 62880-93-7
dtxsid: DTXSID50892331
formula: C15H17F13NNaO4S2
inchikey: OPDUAVPSWRKEKZ-UHFFFAOYSA-M
norman_susdat_id: NS00110674
smiles: [Na+].CC(C)(CS([O-])(=O)=O)NC(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H18F13NO4S2.Na/c1-9(2,7-35(31,32)33)29-8(30)3-5-34-6-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28;/h3-7H2,1-2H3,(H,29,30)(H,31,32,33);/q;+1/p-1


name: Iopamidol
cas: 62883-00-5
chebiid: CHEBI:31711
chemspiderid: 58940
dtxsid: DTXSID1023158
formula: C17H22I3N3O8
inchikey: XQZXYNRDCRIARQ-LURJTMIESA-N
norman_susdat_id: NS00000229
pubchem_cid: 65492
smiles: CC(O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(=O)NC(CO)CO)=C1I
inchi:
InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)


name: 2-Propanol, 1,1'-(tridecylimino)bis-
cas: 62889-66-1
chemspiderid: 15427204
formula: C19H41N1O2
inchikey: WFAMPSHDEGZREP-UHFFFAOYSA-N
norman_susdat_id: NS00009850
pubchem_cid: 21388520
smiles: CCCCCCCCCCCCCN(CC(C)O)CC(C)O
inchi:
InChI=1S/C19H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(16-18(2)21)17-19(3)22/h18-19,21-22H,4-17H2,1-3H3


name: Sodium 1,2,3,4-tetrahydro-2-hydroxynaphthalene-2-sulphonate
cas: 6289-81-2
formula: C10H12O4S
inchikey: OFAVWESIADENLA-UHFFFAOYSA-M
norman_susdat_id: NS00043883
pubchem_cid: 407458
smiles: [Na+].O=S(=O)([O-])C1(O)CC=2C=CC=CC2CC1
inchi:
InChI=1/C10H12O4S.Na/c11-10(15(12,13)14)6-5-8-3-1-2-4-9(8)7-10;/h1-4,11H,5-7H2,(H,12,13,14);/q;+1/p-1


name: Cefoperazone
cas: 62893-19-0
chebiid: CHEBI:3493
dtxsid: DTXSID2022759
formula: C25H27N9O8S2
inchikey: GCFBRXLSHGKWDP-XCGNWRKASA-N
norman_susdat_id: NS00098776
pubchem_cid: 44187
smiles: CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
inchi:
InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1


name: Hexadecenoic acid
cas: 629-56-1
chebiid: CHEBI:37252
formula: C16H30O2
inchikey: ZVRMGCSSSYZGSM-CCEZHUSRSA-N
norman_susdat_id: NS00096515
smiles: CCCCCCCCCCCCC/C=C/C(=O)O
inchi:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+


name: Methyl triacontanate
cas: 629-83-4
chebiid: CHEBI:151125
chemspiderid: 11894
dtxsid: DTXSID30212078
formula: C31H62O2
inchikey: BIRUBGLRQLAEFF-UHFFFAOYSA-N
norman_susdat_id: NS00035237
pubchem_cid: 12400
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C31H62O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-2/h3-30H2,1-2H3


name: (Z)-docos-13-enol
cas: 629-98-1
chebiid: CHEBI:77416
formula: C22H44O
inchikey: CFOQKXQWGLAKSK-KTKRTIGZSA-N
norman_susdat_id: NS00042751
pubchem_cid: 5354168
smiles: OCCCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3


name: Flumetralin
cas: 62924-70-3
chebiid: CHEBI:82008
chemspiderid: 56023
dtxsid: DTXSID7032553
formula: C16H12Cl1F4N3O4
inchikey: PWNAWOCHVWERAR-UHFFFAOYSA-N
norman_susdat_id: NS00021271
pubchem_cid: 62210
smiles: ClC1=C(CN(CC)C2=C([N+]([O-])=O)C=C(C(F)(F)F)C=C2[N+]([O-])=O)C(F)=CC=C1
inchi:
InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3


name: Glycerides, C18 mono
cas: 62927-07-5
chemspiderid: 19739638
dtxsid: DTXSID00569127
formula: C22H44O4
inchikey: WWTTXMMZHOBTAM-UHFFFAOYSA-N
norman_susdat_id: NS00095784
pubchem_cid: 15151269
smiles: CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
inchi:
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-20-21(24)19-23/h21,23-24H,2-20H2,1H3


name: Imidazole-4-methanol monopicrate
cas: 6293-52-3
formula: C6H3N3O7.C4H6N2O
inchikey: ZSHKBAUJMQICOD-UHFFFAOYSA-N
norman_susdat_id: NS00080630
smiles: OCc1cncn1.[O-][N+](=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1/C6H3N3O7.C4H6N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-2-4-1-5-3-6-4/h1-2,10H;1,3,7H,2H2,(H,5,6)


name: 1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-2-one
cas: 62933-31-7
dtxsid: DTXSID20978757
formula: C15H17FN2O
inchikey: PDZUDLSGYIIFCW-UHFFFAOYSA-N
norman_susdat_id: NS00055888
pubchem_cid: 3017369
smiles: O=C1N(CCC2=CNC=3C=CC(F)=CC32)CCCC1
inchi:
InChI=1/C15H17FN2O/c16-12-4-5-14-13(9-12)11(10-17-14)6-8-18-7-2-1-3-15(18)19/h4-5,9-10,17H,1-3,6-8H2


name: (formylmethyl)triphenylphosphonium chloride
cas: 62942-43-2
dtxsid: DTXSID80978778
formula: C20H18OP
inchikey: RVEJRPJGKXTQIF-UHFFFAOYSA-M
norman_susdat_id: NS00055909
pubchem_cid: 2733863
smiles: [Cl-].O=CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H18OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H,17H2;1H/q+1;/p-1


name: Turofexorate Isopropyl
cas: 629664-81-9
dtxsid: DTXSID90978825
formula: C25H24F2N2O3
inchikey: INASOKQDNHHMRE-UHFFFAOYSA-N
norman_susdat_id: NS00072462
pubchem_cid: 10026128
smiles: CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)c(F)c2)CC(C)(C)c2c1[nH]c1ccccc21
inchi:
InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3


name: [2,3-dichloro-4-(4-chlorobenzoyl)phenoxy]acetic acid
cas: 62967-01-5
dtxsid: DTXSID50978826
formula: C15H9Cl3O4
inchikey: NWMCYHHRDSLUGY-UHFFFAOYSA-N
norman_susdat_id: NS00056000
pubchem_cid: 3017371
smiles: O=C(O)COC1=CC=C(C(=O)C2=CC=C(Cl)C=C2)C(Cl)=C1Cl
inchi:
InChI=1/C15H9Cl3O4/c16-9-3-1-8(2-4-9)15(21)10-5-6-11(14(18)13(10)17)22-7-12(19)20/h1-6H,7H2,(H,19,20)


name: dioctadecyl ether
cas: 6297-03-6
chemspiderid: 72725
formula: C36H74O1
inchikey: HBXWUCXDUUJDRB-UHFFFAOYSA-N
norman_susdat_id: NS00003354
pubchem_cid: 80526
smiles: CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


cas: 62973-77-7
dtxsid: DTXSID00212181
formula: C17H18Cl2N2O3
inchikey: MWAOBTXTXUNTAC-UHFFFAOYSA-N
norman_susdat_id: NS00055494
pubchem_cid: 20318892
smiles: Cl.ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)COCC=C)CN3C=NC=C3
name:
cis-1-[[4-(allyloxy)methyl-2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-imidazole monohydrochloride

inchi:
InChI=1/C17H18Cl2N2O3.ClH/c1-2-7-22-9-14-10-23-17(24-14,11-21-6-5-20-12-21)15-4-3-13(18)8-16(15)19;/h2-6,8,12,14H,1,7,9-11H2;1H


name: N-(2-(3,4-Diethoxyphenyl)ethyl)-2-(3,4-diethoxyphenyl)acetamide
cas: 6298-46-0
chemspiderid: 72728
dtxsid: DTXSID20212188
formula: C24H33N1O5
inchikey: WXWBNUBJVJKZAS-UHFFFAOYSA-N
norman_susdat_id: NS00035238
pubchem_cid: 80529
smiles: CCOc1ccc(CC(=O)NCCc2cc(OCC)c(OCC)cc2)cc1OCC
inchi:
InChI=1S/C24H33NO5/c1-5-27-20-11-9-18(15-22(20)29-7-3)13-14-25-24(26)17-19-10-12-21(28-6-2)23(16-19)30-8-4/h9-12,15-16H,5-8,13-14,17H2,1-4H3,(H,25,26)


name: 1-[2-[[2-cyano-3-[4-(dimethylamino)phenyl]-1-oxoallyl]oxy]ethyl]pyridinium chloride
cas: 62984-74-1
formula: C19H20N3O2
inchikey: QSNYFPLOJIHVAH-KLSJZZFUSA-M
norman_susdat_id: NS00056807
pubchem_cid: 6437761
smiles: [Cl-].N#CC(=CC1=CC=C(C=C1)N(C)C)C(=O)OCC[N+]=2C=CC=CC2
inchi:
InChI=1/C19H20N3O2.ClH/c1-21(2)18-8-6-16(7-9-18)14-17(15-20)19(23)24-13-12-22-10-4-3-5-11-22;/h3-11,14H,12-13H2,1-2H3;1H/q+1;/p-1


name: Etersalate
cas: 62992-61-4
chebiid: CHEBI:135509
chemspiderid: 40271
dtxsid: DTXSID60212203
formula: C19H19N1O6
inchikey: PXBFSRVXEKCBFP-UHFFFAOYSA-N
norman_susdat_id: NS00035241
pubchem_cid: 44258
smiles: CC(=O)Nc1ccc(OCCOC(=O)c2ccccc2OC(=O)C)cc1
inchi:
InChI=1S/C19H19NO6/c1-13(21)20-15-7-9-16(10-8-15)24-11-12-25-19(23)17-5-3-4-6-18(17)26-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)


name: Staurosporine
cas: 62996-74-1
chebiid: CHEBI:15738
chemspiderid: 40272
dtxsid: DTXSID6041131
formula: C28H26N4O3
inchikey: HKSZLNNOFSGOKW-FYTWVXJKSA-N
norman_susdat_id: NS00011817
pubchem_cid: 44259
smiles: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
inchi:
InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1


name: Nystatin A3
cas: 62997-67-5
dtxsid: DTXSID80212205
inchikey: IKYMLQOHQLVORI-UHFFFAOYSA-N
norman_susdat_id: NS00073865
inchi:
InChI=1/C53H85NO20/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-52-49(65)46(54)48(64)33(5)71-52)25-42-45(51(66)67)41(61)28-53(68,74-42)27-40(60)38(58)21-20-34(55)22-35(56)23-36(57)24-43(62)69-31(3)30(2)50(29)73-44-26-39(59)47(63)32(4)70-44/h6-7,9,11-19,29-42,44-50,52,55-61,63-65,68H,8,10,20-28,54H2,1-5H3,(H,66,67)

smiles:
CC1OC(CC(O)C1O)OC1C(C)C=CC=CCCC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C1C)OC1OC(C)C(O)C(N)C1O


name: 4-Androstene-3,17-dione
cas: 63-05-8
chebiid: CHEBI:16422
chemspiderid: 5898
dtxsid: DTXSID8024523
formula: C19H26O2
inchikey: AEMFNILZOJDQLW-QAGGRKNESA-N
norman_susdat_id: NS00010905
pubchem_cid: 6128
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1


name: Benzquinamide
cas: 63-12-7
chebiid: CHEBI:27662
chemspiderid: 2252
dtxsid: DTXSID9022657
formula: C22H32N2O5
inchikey: JSZILQVIPPROJI-UHFFFAOYSA-N
norman_susdat_id: NS00001225
pubchem_cid: 2342
smiles: CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
inchi:
InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3


name: 5'-Cytidylic acid
cas: 63-37-6
chemspiderid: 21232346
dtxsid: DTXSID50889322
formula: C9H14N3O8P1
inchikey: IERHLVCPSMICTF-UHFFFAOYSA-N
norman_susdat_id: NS00001423
pubchem_cid: 314
smiles: Nc1ccn(C2OC(COP(O)(O)=O)C(O)C2O)c(=O)n1
inchi:
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)


name: Cytidine 5'-(trihydrogen diphosphate)
cas: 63-38-7
formula: C9H15N3O11P2
inchikey: ZWIADYZPOWUWEW-UHFFFAOYSA-N
norman_susdat_id: NS00041341
pubchem_cid: 290
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O
inchi:
InChI=1/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)


name: Uridine 5'-triphosphate
cas: 63-39-8
chemspiderid: 1147
dtxsid: DTXSID0041147
formula: C9H15N2O15P3
inchikey: PGAVKCOVUIYSFO-UHFFFAOYSA-N
norman_susdat_id: NS00014367
pubchem_cid: 1181
smiles: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
inchi:
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1


name: Primaquine bis(phosphate)
cas: 63-45-6
formula: C15H21N3O.2H3O4P
inchikey: GJOHLWZHWQUKAU-UHFFFAOYSA-N
norman_susdat_id: NS00078842
smiles: OP(O)(=O)O.OP(O)(=O)O.CC(CCCN)Nc1cc(cc2cccnc12)OC
inchi:
InChI=1/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)


name: Thonzylamine hydrochloride
cas: 63-56-9
chebiid: CHEBI:32219
formula: C16H22N4O.ClH
inchikey: HRYJPHOTGFERGT-UHFFFAOYSA-N
norman_susdat_id: NS00078929
smiles: Cl.COc1ccc(CN(CCN(C)C)c2ncccn2)cc1
inchi:
InChI=1/C16H22N4O.ClH/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14;/h4-10H,11-13H2,1-3H3;1H


name: Colfosceril palmitate
cas: 63-89-8
chemspiderid: 5908
dtxsid: DTXSID5046720
formula: C40H81N1O8P1
inchikey: KILNVBDSWZSGLL-UHFFFAOYSA-N
norman_susdat_id: NS00004612
pubchem_cid: 6138
smiles: CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3


name: Phenoxybenzamine hydrochloride
cas: 63-92-3
chebiid: CHEBI:8078
formula: C18H22ClNO.ClH
inchikey: VBCPVIWPDJVHAN-UHFFFAOYSA-N
norman_susdat_id: NS00078910
smiles: Cl.CC(COc1ccccc1)N(CCCl)Cc2ccccc2
inchi:
InChI=1/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11,16H,12-15H2,1H3;1H


name: Octacosane
cas: 630-02-4
chebiid: CHEBI:32943
chemspiderid: 11902
dtxsid: DTXSID6058639
formula: C28H58
inchikey: ZYURHZPYMFLWSH-UHFFFAOYSA-N
norman_susdat_id: NS00010789
pubchem_cid: 12408
smiles: C(CCCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: Nonacosane
cas: 630-03-5
chebiid: CHEBI:7613
chemspiderid: 11903
dtxsid: DTXSID2060884
formula: C29H60
inchikey: IGGUPRCHHJZPBS-UHFFFAOYSA-N
norman_susdat_id: NS00010790
pubchem_cid: 12409
smiles: C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1S/C29H60/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/h3-29H2,1-2H3


name: Hentriacontane
cas: 630-04-6
chebiid: CHEBI:5659
chemspiderid: 11904
dtxsid: DTXSID0075443
formula: C31H64
inchikey: IUJAMGNYPWYUPM-UHFFFAOYSA-N
norman_susdat_id: NS00010791
pubchem_cid: 12410
smiles: C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3


name: Tritriacontane
cas: 630-05-7
chebiid: CHEBI:9751
chemspiderid: 11905
dtxsid: DTXSID5075444
formula: C33H68
inchikey: SUJUOAZFECLBOA-UHFFFAOYSA-N
norman_susdat_id: NS00010792
pubchem_cid: 12411
smiles: C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3


name: Hexatriacontane
cas: 630-06-8
chebiid: CHEBI:72688
chemspiderid: 11906
dtxsid: DTXSID7060885
formula: C36H74
inchikey: YDLYQMBWCWFRAI-UHFFFAOYSA-N
norman_susdat_id: NS00004070
pubchem_cid: 12412
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Pentatriacontane
cas: 630-07-9
chemspiderid: 11907
dtxsid: DTXSID9074723
formula: C35H72
inchikey: VHQQPFLOGSTQPC-UHFFFAOYSA-N
norman_susdat_id: NS00010793
pubchem_cid: 12413
smiles: C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3


name: 4-Chlorobenzenediazonium perfluorobutanoate perfluorobutanoic acid (1:1:1)
cas: 630-31-9
dtxsid: DTXSID20897151
formula: C14H5ClF14N2O4
inchikey: AXSZZMTVULMQKP-UHFFFAOYSA-M
norman_susdat_id: NS00109807
smiles: ClC1=CC=C(C=C1)[N+]#N.OC(=O)C(F)(F)C(F)(F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C6H4ClN2.2C4HF7O2/c7-5-1-3-6(9-8)4-2-5;2*5-2(6,1(12)13)3(7,8)4(9,10)11/h1-4H;2*(H,12,13)/q+1;;/p-1


name: Methenamine camphorate
cas: 630-55-7
formula: C10H16O4.2C6H12N4
inchikey: BBEZFDHFOJUPPS-UHFFFAOYSA-N
norman_susdat_id: NS00079521
smiles: CC1(C)C(CCC1(C)C(=O)O)C(=O)O.C=N
inchi:
InChI=1/C10H16O4.CH3N/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;1-2/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);2H,1H2


name: Hydroxyprogesterone caproate
cas: 630-56-8
chebiid: CHEBI:5812
chemspiderid: 3527
dtxsid: DTXSID6043915
formula: C27H40O4
inchikey: DOMWKUIIPQCAJU-LJHIYBGHSA-N
norman_susdat_id: NS00021273
pubchem_cid: 169870
smiles: CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)C
inchi:
InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3/t21-,22+,23+,25+,26+,27+/m1/s1


name: Ouabain
cas: 630-60-4
chebiid: CHEBI:472805
chemspiderid: 388599
dtxsid: DTXSID0043765
formula: C29H44O12
inchikey: LPMXVESGRSUGHW-HBYQJFLCSA-N
norman_susdat_id: NS00003260
pubchem_cid: 439501
inchi:
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O


name: (3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
cas: 630-64-8
formula: C29H42O9
inchikey: QBILRDAMJUPXCX-UHFFFAOYSA-N
norman_susdat_id: NS00041931
pubchem_cid: 5091219
smiles: O=CC12CCC(OC3OC(C)C(O)C(O)C3)CC2(O)CCC4C1CCC5(C)C(C6=CC(=O)OC6)CCC45O
inchi:
InChI=1/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3


name: Erychroside
cas: 630-65-9
chemspiderid: 120756
formula: C34H50O13
inchikey: GPMRZMZJGUPWPZ-BRBRUXTHSA-N
norman_susdat_id: NS00093805
pubchem_cid: 107795
smiles:
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O


name: Prednisolone 21-(3-sodium-sulphobenzoate)
cas: 630-67-1
formula: C28H32O9S.Na
inchikey: RWFZSORKWFPGNE-UHFFFAOYSA-M
norman_susdat_id: NS00079322
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)c5cccc(c5)S(=O)(=O)O[Na]
inchi:
InChI=1/C28H32O9S.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;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/q;+1/p-1/rC28H31NaO9S/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/h3-5,8,10,12-13,20-22,24,31,34H,6-7,9,11,14-15H2,1-2H3


name: Morphine hydrobromide
cas: 630-81-9
formula: C17H19NO3.BrH
inchikey: OUOYRIJSFITIHQ-VYKNHSEDSA-N
norman_susdat_id: NS00079332
smiles: Br.CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
inchi:
InChI=1/C17H19NO3.BrH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H


name: Morphine 3-hydroxy-4-oxopyran-2,6-dicarboxylate
cas: 630-83-1
formula: C17H19NO3.1/2C7H4O7
inchikey: MUZPKDSJFXYZTF-VYKNHSEDSA-N
norman_susdat_id: NS00079777
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.OC(=O)C6=CC(=O)C(=C(O6)C(=O)O)O
inchi:
InChI=1/C17H19NO3.C7H4O7/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1,9H,(H,10,11)(H,12,13)


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dichloro-
cas: 630-88-6
chemspiderid: 89900
dtxsid: DTXSID7060889
formula: C20H10Cl2O3
inchikey: LNBKJWCRFAZVLK-UHFFFAOYSA-N
norman_susdat_id: NS00035286
pubchem_cid: 99508
smiles: Clc1cc2c(cc1)C1(OC(=O)c3c1cccc3)c1ccc(Cl)cc1O2
inchi:
InChI=1S/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H


name: Phenytoin sodium
cas: 630-93-3
formula: C15H12N2O2.Na
inchikey: FJPYVLNWWICYDW-UHFFFAOYSA-M
norman_susdat_id: NS00079522
smiles: [Na+].[O-]/C2=NC(\O)=N/C2(c1ccccc1)c3ccccc3
inchi:
InChI=1/C15H12N2O2.Na/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H2,16,17,18,19);/q;+1/p-1


name: Sodium m-[(4-amino-1-naphthyl)azo]benzenesulphonate
cas: 6300-22-7
dtxsid: DTXSID4064214
formula: C16H13N3O3S
inchikey: UEOZWESPXLZJPG-UHFFFAOYSA-M
norman_susdat_id: NS00044557
pubchem_cid: 80537
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N)C=3C=CC=CC23)C1
inchi:
InChI=1/C16H13N3O3S.Na/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1


name: Sodium 5-amino-8-(phenylazo)naphthalene-2-sulphonate
cas: 6300-23-8
dtxsid: DTXSID9064215
formula: C16H13N3O3S
inchikey: LFNJXGCSRNTIPM-UHFFFAOYSA-M
norman_susdat_id: NS00043925
pubchem_cid: 80539
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N)=CC=C(N=NC=3C=CC=CC3)C2C1
inchi:
InChI=1/C16H13N3O3S.Na/c17-15-8-9-16(19-18-11-4-2-1-3-5-11)14-10-12(23(20,21)22)6-7-13(14)15;/h1-10H,17H2,(H,20,21,22);/q;+1/p-1


name: Sodium 7-amino-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate
cas: 6300-24-9
dtxsid: DTXSID4064216
formula: C16H13N3O4S
inchikey: UKQPYKBHTGBUBC-UHFFFAOYSA-M
norman_susdat_id: NS00044625
pubchem_cid: 80541
smiles: [Na+].O=S(=O)([O-])C=1C=C2C=C(N)C=CC2=C(O)C1N=NC=3C=CC=CC3
inchi:
InChI=1/C16H13N3O4S.Na/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1


name: Sodium 5-[(2,4-dimethylphenyl)azo]-6-hydroxynaphthalene-2-sulphonate
cas: 6300-33-0
formula: C18H16N2O4S
inchikey: ZCJBGUAIONCVNG-UHFFFAOYSA-M
norman_susdat_id: NS00045120
pubchem_cid: 413216
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(C=C3C)C)=C1
inchi:
InChI=1/C18H16N2O4S.Na/c1-11-3-7-16(12(2)9-11)19-20-18-15-6-5-14(25(22,23)24)10-13(15)4-8-17(18)21;/h3-10,21H,1-2H3,(H,22,23,24);/q;+1/p-1


name: Phenol, 2-methyl-4-[[4-(phenylazo)phenyl]azo]-
cas: 6300-37-4
dtxsid: DTXSID9064217
formula: C19H16N4O
inchikey: VGKYEIFFSOPYEW-UHFFFAOYSA-N
norman_susdat_id: NS00044626
pubchem_cid: 22736
smiles: OC1=CC=C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)C=C1C
inchi:
InChI=1/C19H16N4O/c1-14-13-18(11-12-19(14)24)23-22-17-9-7-16(8-10-17)21-20-15-5-3-2-4-6-15/h2-13,24H,1H3


name: p-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]phenol
cas: 6300-42-1
formula: C20H18N4O
inchikey: NJMJSHLPJWODPM-UHFFFAOYSA-N
norman_susdat_id: NS00044558
pubchem_cid: 80542
smiles: OC1=CC=C(N=NC2=CC=C(N=NC=3C=CC=CC3C)C=C2C)C=C1
inchi:
InChI=1/C20H18N4O/c1-14-5-3-4-6-19(14)23-22-17-9-12-20(15(2)13-17)24-21-16-7-10-18(25)11-8-16/h3-13,25H,1-2H3


name: Disodium 7-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 6300-50-1
dtxsid: DTXSID50889509
formula: C22H17N5O7S2
inchikey: DNDMQQPFVIIALP-UHFFFAOYSA-L
norman_susdat_id: NS00043926
pubchem_cid: 80544
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)[O-])C=C2)C=C1
inchi:
InChI=1/C22H17N5O7S2.2Na/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: Sodium p-[(4,6-diamino-m-tolyl)azo]benzenesulphonate
cas: 6300-61-4
formula: C13H14N4O3S.Na
inchikey: XBXOIRJUKYNIOE-UHFFFAOYSA-M
norman_susdat_id: NS00081033
smiles: [Na+].[O-]S(=O)(=O)c2ccc(N=Nc1cc(C)c(N)cc1N)cc2
inchi:
InChI=1/C13H14N4O3S.Na/c1-8-6-13(12(15)7-11(8)14)17-16-9-2-4-10(5-3-9)21(18,19)20;/h2-7H,14-15H2,1H3,(H,18,19,20);/q;+1/p-1


name: Diisononyl dodecanedioate
cas: 63003-34-9
chemspiderid: 4956808
dtxsid: DTXSID00212222
formula: C30H58O4
inchikey: NEBPEJORTDXDMO-UHFFFAOYSA-N
norman_susdat_id: NS00035246
pubchem_cid: 6454493
smiles: CC(C)CCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C30H58O4/c1-27(2)21-15-11-13-19-25-33-29(31)23-17-9-7-5-6-8-10-18-24-30(32)34-26-20-14-12-16-22-28(3)4/h27-28H,5-26H2,1-4H3


name: Diisodecyl dodecanedioate
cas: 63003-35-0
chemspiderid: 4956809
dtxsid: DTXSID60212223
formula: C32H62O4
inchikey: PJCONQOGIAEZNN-UHFFFAOYSA-N
norman_susdat_id: NS00035247
pubchem_cid: 6454494
smiles: CC(C)CCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C32H62O4/c1-29(2)23-17-11-9-15-21-27-35-31(33)25-19-13-7-5-6-8-14-20-26-32(34)36-28-22-16-10-12-18-24-30(3)4/h29-30H,5-28H2,1-4H3


name: {(1E)-5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid
cas: 6301-55-9
formula: C20H17FO3S
inchikey: MLKXDPUZXIRXEP-RQZCQDPDSA-N
norman_susdat_id: NS00096946
smiles: CC1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
inchi:
InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9+


cas: 630113-05-2
inchikey: LYUOAYWIBQJYDI-UHFFFAOYSA-M
norman_susdat_id: NS00078386
smiles: [Cl-].[Cl-].[Cl-].C[N+](CCCNC(C(=C)C)=O)(C)CC(=O)NCCC[N+](CC(C[N+](C)(C)C)O)(C)C
name:
N-(3-{[(dimethyl{3-[(2-methylacryloyl)amino]propyl}ammonio)acetyl]amino}propyl)-2-hydroxy-N,N,N�,N�,N�-pentamethylpropane-1,3-diaminium trichloride


cas: 63014-08-4
formula: C40H63N15O15
inchikey: WEAKOQKTQAUHGL-RQQQSSCTSA-N
norman_susdat_id: NS00055912
pubchem_cid: 131676734
name:
N2-[N2-[N-[N-[N-[N-[N2-[1-(2,4-dinitrophenyl)-L-prolyl]-L-glutaminyl]glycyl]-L-isoleucyl]-L-alanyl]glycyl]-L-glutaminyl]-D-arginine

inchi:
InChI=1/C40H61N15O15/c1-4-20(2)33(38(64)48-21(3)34(60)46-18-31(58)49-24(11-14-30(42)57)36(62)51-25(39(65)66)7-5-15-45-40(43)44)52-32(59)19-47-35(61)23(10-13-29(41)56)50-37(63)27-8-6-16-53(27)26-12-9-22(54(67)68)17-28(26)55(69)70/h9,12,17,20-21,23-25,27,33H,4-8,10-11,13-16,18-19H2,1-3H3,(H2,41,56)(H2,42,57)(H,46,60)(H,47,61)(H,48,64)(H,49,58)(H,50,63)(H,51,62)(H,52,59)(H,65,66)(H4,43,44,45)

smiles:
O=C(N)CCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1N(C2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])CCC1)CCC(=O)N)C(C)CC)C)C(=O)NC(C(=O)O)CCCNC(=N)N


cas: 63014-09-5
formula: C35H56N14O14
inchikey: GTWKNJGGCJJJHO-LQDQXGEHSA-N
norman_susdat_id: NS00055913
pubchem_cid: NA
name:
N2-[N2-[N-[N-[N-[N-[N2-(2,4-dinitrophenyl)-L-glutaminyl]glycyl]-L-isoleucyl]-L-alanyl]glycyl]-L-glutaminyl]-D-arginine

inchi:
InChI=1/C35H54N14O14/c1-4-17(2)29(47-28(53)16-42-31(55)21(9-11-25(36)50)44-20-8-7-19(48(60)61)14-24(20)49(62)63)33(57)43-18(3)30(54)41-15-27(52)45-22(10-12-26(37)51)32(56)46-23(34(58)59)6-5-13-40-35(38)39/h7-8,14,17-18,21-23,29,44H,4-6,9-13,15-16H2,1-3H3,(H2,36,50)(H2,37,51)(H,41,54)(H,42,55)(H,43,57)(H,45,52)(H,46,56)(H,47,53)(H,58,59)(H4,38,39,40)

smiles:
O=C(N)CCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N)C(C)CC)C)C(=O)NC(C(=O)O)CCCNC(=N)N


name: Nonanedioic acid, bis(2-butoxyethyl) ester
cas: 63021-23-8
chemspiderid: 101262
dtxsid: DTXSID7069651
formula: C21H40O6
inchikey: LOOYQSKMLPFZQX-UHFFFAOYSA-N
norman_susdat_id: NS00035257
pubchem_cid: 112982
smiles: CCCCOCCOC(=O)CCCCCCCC(=O)OCCOCCCC
inchi:
InChI=1S/C21H40O6/c1-3-5-14-24-16-18-26-20(22)12-10-8-7-9-11-13-21(23)27-19-17-25-15-6-4-2/h3-19H2,1-2H3


name: Heptanedioic acid, 4-oxo-, isonicotinoyl hydrazone
cas: 63041-19-0
chemspiderid: 40355
dtxsid: DTXSID30212351
formula: C13H15N3O5
inchikey: KVKTWIRECGLOBN-UHFFFAOYSA-N
norman_susdat_id: NS00035262
pubchem_cid: 44356
smiles: OC(=O)CCC(=NNC(=O)c1ccncc1)CCC(=O)O
inchi:
InChI=1S/C13H15N3O5/c17-11(18)3-1-10(2-4-12(19)20)15-16-13(21)9-5-7-14-8-6-9/h5-8H,1-4H2,(H,16,21)(H,17,18)(H,19,20)


name: Estra-1,3,5(10)-triene-3,17ß-diol 3-benzoate 17-butyrate
cas: 63042-18-2
dtxsid: DTXSID20978979
formula: C29H34O4
inchikey: MKYFGNOOEKZNPW-ZRJUGLEFSA-N
norman_susdat_id: NS00055964
pubchem_cid: 67081
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CCC)CCC34)C=5C=CC=CC5
inchi:
InChI=1/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3


name: Estra-1,3,5(10)-triene-3,17ß-diol dibutyrate
cas: 63042-23-9
dtxsid: DTXSID50978982
formula: C26H36O4
inchikey: KCWOSNZFDYZBNP-IOCWQACJSA-N
norman_susdat_id: NS00056073
pubchem_cid: 6454502
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CCC)CCC34)CCC
inchi:
InChI=1/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3


name: Asunaprevir
cas: 630420-16-5
chebiid: CHEBI:134723
formula: C35H46ClN5O9S
inchikey: XRWSZZJLZRKHHD-WVWIJVSJSA-N
norman_susdat_id: NS00073021
pubchem_cid: 16076883
inchi:
InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1

smiles:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1


name: N-(tert-butyl)-1-hydroxy-5-[(methylsulphonyl)amino]naphthalene-2-sulphonamide
cas: 63059-34-7
dtxsid: DTXSID7069655
formula: C15H20N2O5S2
inchikey: BZLLYFGDMLSRAN-UHFFFAOYSA-N
norman_susdat_id: NS00056074
pubchem_cid: 112992
smiles: O=S(=O)(NC(C)(C)C)C=1C=CC=2C(=CC=CC2C1O)NS(=O)(=O)C
inchi:
InChI=1/C15H20N2O5S2/c1-15(2,3)17-24(21,22)13-9-8-10-11(14(13)18)6-5-7-12(10)16-23(4,19)20/h5-9,16-18H,1-4H3


name: 5-chloro-2-[2-[(5-chlorobenzothiazol-2-yl)methylene]butylidene]-3-ethyl-2,3-dihydrobenzothiazole
cas: 63059-42-7
dtxsid: DTXSID20886525
formula: C21H18Cl2N2S2
inchikey: XGKILEHZEQGFCK-UHFFFAOYSA-N
norman_susdat_id: NS00056851
pubchem_cid: 3034933
smiles: ClC=1C=CC=2SC(=NC2C1)C=C(C=C3SC4=CC=C(Cl)C=C4N3CC)CC
inchi:
InChI=1/C21H18Cl2N2S2/c1-3-13(9-20-24-16-11-14(22)5-7-18(16)26-20)10-21-25(4-2)17-12-15(23)6-8-19(17)27-21/h5-12H,3-4H2,1-2H3


cas: 63059-43-8
formula: C27H32ClN4O2
inchikey: FDZJJIPJNDQFMS-UHFFFAOYSA-M
norman_susdat_id: NS00055123
pubchem_cid: NA
smiles: [I-].ClC1=CC=C2C(=C1)N(C(=CC=CC=3OC=4C=CC=CC4[N+]3CC)N2CC)CCN5CCOCC5
name:
2-[3-[5-chloro-1-ethyl-1,3-dihydro-3-[2-morpholinoethyl]-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium iodide

inchi:
InChI=1/C27H32ClN4O2.HI/c1-3-30-22-13-12-21(28)20-24(22)32(15-14-29-16-18-33-19-17-29)26(30)10-7-11-27-31(4-2)23-8-5-6-9-25(23)34-27;/h5-13,20H,3-4,14-19H2,1-2H3;1H/q+1;/p-1


cas: 63059-49-4
dtxsid: DTXSID00886528
formula: C33H46N4O3
inchikey: FCWFPYYRGLTGGJ-UHFFFAOYSA-N
norman_susdat_id: NS00055619
pubchem_cid: 121788
smiles: Cl.Cl.O=C(NC1=CC=C(C=C1)N2N=C(N3CCCC3)CC2=O)C(OC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC)CC
name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butyramide dihydrochloride

inchi:
InChI=1/C33H46N4O3.2ClH/c1-8-27(40-28-18-13-23(32(4,5)9-2)21-26(28)33(6,7)10-3)31(39)34-24-14-16-25(17-15-24)37-30(38)22-29(35-37)36-19-11-12-20-36;;/h13-18,21,27H,8-12,19-20,22H2,1-7H3,(H,34,39);2*1H


cas: 63059-50-7
dtxsid: DTXSID60886529
formula: C40H50N8O3S
inchikey: AGYJCXYRDIKISX-UHFFFAOYSA-N
norman_susdat_id: NS00055620
pubchem_cid: 21124172
smiles: Cl.O=C(NC1=CC=C(C=C1)N2N=C(N3CCCC3)CC2=O)C(OC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC)CCSC5=NN=NN5C=6C=CC=CC6
name:
2-[2,4-bis(tert-pentyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-3-(pyrrolidin-1-yl)-1H-pyrazol-1-yl]phenyl]-4-[(1-phenyl-1H-tetrazol-5-yl)thio]butyramide monohydrochloride

inchi:
InChI=1/C40H50N8O3S.ClH/c1-7-39(3,4)28-16-21-33(32(26-28)40(5,6)8-2)51-34(22-25-52-38-42-44-45-48(38)30-14-10-9-11-15-30)37(50)41-29-17-19-31(20-18-29)47-36(49)27-35(43-47)46-23-12-13-24-46;/h9-11,14-21,26,34H,7-8,12-13,22-25,27H2,1-6H3,(H,41,50);1H


cas: 63059-54-1
chemspiderid: 7852168
dtxsid: DTXSID7069657
formula: C54H58N6O12S3
inchikey: HZPBCZNMTORVAS-UHFFFAOYSA-N
norman_susdat_id: NS00035274
pubchem_cid: NA
name:
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[[[3-[[[4-hydroxy-8-[[2-(methylsulfonyl)-4-nitrophenyl]azo]-1-naphthalenyl]amino]sulfonyl]phenyl]sulfonyl]amino]-

inchi:
InChI=1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-25-26-47(61)40-20-15-21-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,56-57,59,62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)/b58-45+

smiles:
CCC(C)(C)c1cc(c(OCCCCNC(=O)c2c(O)c3ccccc3c(NS(=O)(=O)c3cc(ccc3)S(=O)(=O)N=C3C=CC(=O)c4c3c(NNc3c(cc(cc3)[N+](=O)[O-])S(=O)(=O)C)ccc4)c2)cc1)C(C)(C)CC


name: 2-[2,4-di-tert-pentylphenoxy]hexanoyl chloride
cas: 63059-55-2
dtxsid: DTXSID90886532
formula: C22H35ClO2
inchikey: LRKLDHJJKJBSIP-UHFFFAOYSA-N
norman_susdat_id: NS00055124
pubchem_cid: 112547
smiles: O=C(Cl)C(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)CCCC
inchi:
InChI=1/C22H35ClO2/c1-8-11-12-19(20(23)24)25-18-14-13-16(21(4,5)9-2)15-17(18)22(6,7)10-3/h13-15,19H,8-12H2,1-7H3


cas: 63059-58-5
chemspiderid: 101278
dtxsid: DTXSID7069659
formula: C32H34N4O3
inchikey: XFESIBWPGWHDKC-UHFFFAOYSA-N
norman_susdat_id: NS00035276
pubchem_cid: 112999
smiles: CCN(CC)c1ccc(N=C2C=C(C(=O)NCCc3c(NC(=O)C)cccc3)C(=O)c3c2cccc3)c(C)c1
name:
2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxo-

inchi:
InChI=1S/C32H34N4O3/c1-5-36(6-2)24-15-16-28(21(3)19-24)35-30-20-27(31(38)26-13-9-8-12-25(26)30)32(39)33-18-17-23-11-7-10-14-29(23)34-22(4)37/h7-16,19-20H,5-6,17-18H2,1-4H3,(H,33,39)(H,34,37)/b35-30-


name: Sodium 2,5-dihydroxy-4-(1-methylheptadecyl)benzenesulphonate
cas: 63059-59-6
dtxsid: DTXSID50886533
formula: C24H42O5S
inchikey: XMEZMPZIYXDDJI-UHFFFAOYSA-M
norman_susdat_id: NS00056450
pubchem_cid: 112549
smiles: [Na+].O=S(=O)([O-])C=1C=C(O)C(=CC1O)C(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H42O5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21-18-23(26)24(19-22(21)25)30(27,28)29;/h18-20,25-26H,3-17H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: 6-(dimethylamino)-1,2-dimethylquinolinium methyl sulphate
cas: 63059-61-0
dtxsid: DTXSID6069660
formula: C13H17N2
inchikey: VWOIZBFIQPWIJV-UHFFFAOYSA-M
norman_susdat_id: NS00055621
pubchem_cid: 113000
smiles: O=S(=O)([O-])OC.C=1C=C([N+](=C2C=CC(=CC12)N(C)C)C)C
inchi:
InChI=1/C13H17N2.CH4O4S/c1-10-5-6-11-9-12(14(2)3)7-8-13(11)15(10)4;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2,3-dimethyl-5-phenylbenzoxazolium p-toluenesulphonate
cas: 63059-64-3
dtxsid: DTXSID6069662
formula: C15H14NO
inchikey: LFYUSOSBWWUDIH-UHFFFAOYSA-M
norman_susdat_id: NS00055622
pubchem_cid: 113004
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O1C2=CC=C(C=C2[N+](=C1C)C)C=3C=CC=CC3
inchi:
InChI=1/C15H14NO.C7H8O3S/c1-11-16(2)14-10-13(8-9-15(14)17-11)12-6-4-3-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 63059-65-4
chemspiderid: 2299297
dtxsid: DTXSID1069663
formula: C31H33N3O8S2
inchikey: JEBBXXFVVHQLAN-UHFFFAOYSA-N
norman_susdat_id: NS00035277
pubchem_cid: 112550
smiles: CC1=NN(C(=O)/C/1=C/1CC(C)(C)CC(=C1)/C=C/C=c/1oc2c(cccc2)n1CCCS(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O
name:
3(2H)-Benzoxazolepropanesulfonic acid, 2-[3-[3-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-5,5-dimethyl-1-cyclohexen-1-yl]-2-propenylidene]-

inchi:
InChI=1S/C31H33N3O8S2/c1-21-29(30(35)34(32-21)24-12-14-25(15-13-24)44(39,40)41)23-18-22(19-31(2,3)20-23)8-6-11-28-33(16-7-17-43(36,37)38)26-9-4-5-10-27(26)42-28/h4-6,8-15,18H,7,16-17,19-20H2,1-3H3,(H,36,37,38)(H,39,40,41)/b8-6+,28-11-,29-23-


name: Isooctadecanamide, N,N'-1,2-ethanediylbis-
cas: 63059-78-9
chemspiderid: 101285
dtxsid: DTXSID6069664
formula: C38H76N2O2
inchikey: FWXPXBWRCSMEIY-UHFFFAOYSA-N
norman_susdat_id: NS00035278
pubchem_cid: 113006
smiles: CC(C)CCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C38H76N2O2/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-37(41)39-33-34-40-38(42)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-36H,5-34H2,1-4H3,(H,39,41)(H,40,42)


name: Dodecanoic acid, (4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl ester
cas: 63059-80-3
chemspiderid: 100873
dtxsid: DTXSID1069665
formula: C33H60N2O6
inchikey: GIOMCCKTXLHGSZ-UHFFFAOYSA-N
norman_susdat_id: NS00035279
pubchem_cid: 112551
smiles: CCCCCCCCCCCC(=O)OCCN1C(=O)N(CCOC(=O)CCCCCCCCCCC)C(C)(C)C1=O
inchi:
InChI=1S/C33H60N2O6/c1-5-7-9-11-13-15-17-19-21-23-29(36)40-27-25-34-31(38)33(3,4)35(32(34)39)26-28-41-30(37)24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3


cas: 63059-82-5
formula: C45H84N2O6
norman_susdat_id: NS00101779
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl]bis[.omega.-[(1-oxooctadecyl)oxy]-


name: 3-[2-(dipropylamino)ethyl]-1h-indol-4-ol
cas: 63065-88-3
dtxsid: DTXSID90618835
formula: C16H24N2O
inchikey: MZLRMPTVOVJXLW-UHFFFAOYSA-N
norman_susdat_id: NS00072206
pubchem_cid: 21854223
smiles: CCCN(CCC)CCc1c[nH]c2cccc(O)c12
inchi:
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-12-17-14-6-5-7-15(19)16(13)14/h5-7,12,17,19H,3-4,8-11H2,1-2H3


name: Octapotassium [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 63069-27-2
formula: C10H28N2O12P4.8K
inchikey: LUPDLFAHXJFLOR-UHFFFAOYSA-F
norman_susdat_id: NS00087913
inchi:
InChI=1/C10H28N2O12P4.8K/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;;;;;;;;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;;;;;;;/q;8*+1/p-8

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[O-]P(=O)([O-])CN(CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: N-(3-ethoxypropyl)-3-hydroxy-4-[(2-nitrophenyl)azo]naphthalene-2-carboxamide
cas: 63074-58-8
formula: C22H23N4O5
inchikey: RKVVWEGXEYOYGF-UHFFFAOYSA-N
norman_susdat_id: NS00055535
pubchem_cid: 3017380
smiles: O=C(NCCCOCC)C1=CC=2C=CC=CC2C(N=NC=3C=CC=CC3[N+](=O)[O-])=C1O
inchi:
InChI=1/C22H22N4O5/c1-2-31-13-7-12-23-22(28)17-14-15-8-3-4-9-16(15)20(21(17)27)25-24-18-10-5-6-11-19(18)26(29)30/h3-6,8-11,14,27H,2,7,12-13H2,1H3,(H,23,28)


name: tert-butyl [R-(R*,S*)]-[1-[[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl]-2-hydroxypropyl]carbamate
cas: 63076-44-8
dtxsid: DTXSID10979016
formula: C13H20N2O7
inchikey: AHKOXQQXRXTKKD-UHFFFAOYSA-N
norman_susdat_id: NS00055623
pubchem_cid: 99018
smiles: O=C(OC(C)(C)C)NC(C(=O)ON1C(=O)CCC1=O)C(O)C
inchi:
InChI=1/C13H20N2O7/c1-7(16)10(14-12(20)21-13(2,3)4)11(19)22-15-8(17)5-6-9(15)18/h7,10,16H,5-6H2,1-4H3,(H,14,20)


name: Sodium 5-carboxy-4-hexylcyclohex-2-ene-1-octanoate
cas: 63082-99-5
formula: C21H36O4.Na
inchikey: ZNBZNWFTONMVPR-UHFFFAOYSA-M
norman_susdat_id: NS00087949
smiles: [Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)O
inchi:
InChI=1/C21H36O4.Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1


cas: 63089-83-8
dtxsid: DTXSID70886535
formula: C49H54Cl4N6O4
inchikey: RHQHOPSBCPLMEI-UHFFFAOYSA-N
norman_susdat_id: NS00055171
pubchem_cid: NA
name:
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4,5-dihydro-4-(1-naphthylazo)-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide

inchi:
InChI=1/C49H54Cl4N6O4/c1-5-6-7-8-9-10-11-12-13-14-22-43(63-34-24-26-42(60)36(30-34)49(2,3)4)47(61)54-33-23-25-37(51)41(29-33)55-46-44(57-56-40-21-17-19-31-18-15-16-20-35(31)40)48(62)59(58-46)45-38(52)27-32(50)28-39(45)53/h15-21,23-30,43-44,60H,5-14,22H2,1-4H3,(H,54,61)(H,55,58)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC2=NN(C(=O)C2N=NC3=CC=CC=4C=CC=CC34)C=5C(Cl)=CC(Cl)=CC5Cl)C(OC6=CC=C(O)C(=C6)C(C)(C)C)CCCCCCCCCCCC


cas: 63089-86-1
formula: C78H142O10
norman_susdat_id: NS00101753
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with D-glucitol (6:1), tetra-(9Z)-9-octadecenoate


cas: 63089-87-2
formula: C27H48N2O5
norman_susdat_id: NS00101237
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl]bis[.omega.-hydroxy-, mono[(9Z)-9-octadecenoate] (ester)


name: (3ÃŸ,4a,16a)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
cas: 631-01-6
chebiid: CHEBI:8710
chemspiderid: 91986
formula: C30H46O5
inchikey: MQUFAARYGOUYEV-UAWZMHPWSA-N
norman_susdat_id: NS00035294
pubchem_cid: 101810
inchi:
InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1

smiles:
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O


name: 1,1-bis[(dimethylamino)methyl]propyl benzoate monohydrochloride
cas: 631-38-9
formula: C16H26N2O2.ClH
inchikey: FHHDPMSYDYZLAP-UHFFFAOYSA-N
norman_susdat_id: NS00079538
smiles: Cl.CCC(CN(C)C)(CN(C)C)OC(=O)c1ccccc1
inchi:
InChI=1/C16H26N2O2.ClH/c1-6-16(12-17(2)3,13-18(4)5)20-15(19)14-10-8-7-9-11-14;/h7-11H,6,12-13H2,1-5H3;1H


name: 3-Hydroxyurs-12-en-23-oic acid
cas: 631-69-6
formula: C30H48O3
inchikey: NBGQZFQREPIKMG-UHFFFAOYSA-N
norman_susdat_id: NS00097166
smiles: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
inchi:
InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)


name: Ethyl abietate
cas: 631-71-0
chebiid: CHEBI:170129
chemspiderid: 55128
dtxsid: DTXSID50212434
formula: C22H34O2
inchikey: AGUBCDYYAKENKG-YVNJGZBMSA-N
norman_susdat_id: NS00022589
pubchem_cid: 61182
smiles: CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
inchi:
InChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1


name: RETINYL LINOLEATE
cas: 631-89-0
chemspiderid: 4944476
formula: C38H60O2
inchikey: XJKITIOIYQCXQR-DOTGLYPQSA-N
norman_susdat_id: NS00014036
pubchem_cid: 6440169
smiles: CCCCC/C=CCC=C/CCCCCCCC(=O)OC/C=C(C)C=CC=C(C)/C=C/C1=C(C)CCCC1(C)C
inchi:
InChI=1S/C38H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11-,15-14-,25-22+,29-28+,33-24-,34-30-


name: Sodium 5-[bis[4-(dimethylamino)phenyl]methyl]-2-methoxybenzenesulphonate
cas: 6310-59-4
dtxsid: DTXSID10884257
formula: C24H28N2O4S
inchikey: WZZYVJUQOGXVNI-UHFFFAOYSA-M
norman_susdat_id: NS00044684
pubchem_cid: 80576
smiles: [Na+].O=S(=O)([O-])C1=CC(=CC=C1OC)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C24H28N2O4S.Na/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29;/h6-16,24H,1-5H3,(H,27,28,29);/q;+1/p-1


name: Triethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium ethyl sulphate
cas: 63101-12-2
dtxsid: DTXSID60979061
formula: C12H24NO2
inchikey: XJFXQQWVLYWJJH-UHFFFAOYSA-M
norman_susdat_id: NS00055586
pubchem_cid: 3017381
smiles: O=C(OCC[N+](CC)(CC)CC)C(=C)C.O=S(=O)([O-])OCC
inchi:
InChI=1/C12H24NO2.C2H6O4S/c1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-2-6-7(3,4)5/h4,6-10H2,1-3,5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Bis(1,1,3,3-tetramethylbutyl)hydroquinone
cas: 63123-15-9
formula: C22H38O2
inchikey: WNOVBLHBCHOXKD-UHFFFAOYSA-N
norman_susdat_id: NS00055587
pubchem_cid: 21189120
smiles: OC1=CC=C(O)C(=C1C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
inchi:
InChI=1/C22H38O2/c1-19(2,3)13-21(7,8)17-15(23)11-12-16(24)18(17)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3


cas: 63123-18-2
chemspiderid: 86801
dtxsid: DTXSID5069675
formula: C32H28N3
inchikey: RHYBTAZGAJJDLU-UHFFFAOYSA-M
norman_susdat_id: NS00020860
pubchem_cid: 49791642
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[N+]1=C(C=Cc2c(n(c3c2cccc3)c2ccccc2)c2ccccc2)C(C)(C)c2cccnc12
name:
3H-Pyrrolo[2,3-b]pyridinium, 2-[2-(1,2-diphenyl-1H-indol-3-yl)ethenyl]-1,3,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

inchi:
InChI=1S/C32H28N3/c1-32(2)27-18-12-22-33-31(27)34(3)29(32)21-20-26-25-17-10-11-19-28(25)35(24-15-8-5-9-16-24)30(26)23-13-6-4-7-14-23/h4-22H,1-3H3/q+1


name: 2-(2-ethoxybut-1-enyl)-3-methyl-5-phenylbenzoxazolium p-toluenesulphonate
cas: 63123-20-6
dtxsid: DTXSID0069676
formula: C20H22NO2
inchikey: DGWMOZHMDMZOJW-UHFFFAOYSA-M
norman_susdat_id: NS00056492
pubchem_cid: 112556
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O1C2=CC=C(C=C2[N+](=C1C=C(OCC)CC)C)C=3C=CC=CC3
inchi:
InChI=1/C20H22NO2.C7H8O3S/c1-4-17(22-5-2)14-20-21(3)18-13-16(11-12-19(18)23-20)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-14H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Potassium 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonate
cas: 63123-22-8
formula: C14H14N2O4S4.K
inchikey: FONYXZUOCMKKGX-UHFFFAOYSA-M
norman_susdat_id: NS00088375
smiles: [K+].[O-]S(=O)(=O)CCN1C(=O)C(SC1=S)=C3Sc2ccccc2N3CC
inchi:
InChI=1/C14H14N2O4S4.K/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20;/h3-6H,2,7-8H2,1H3,(H,18,19,20);/q;+1/p-1


name: 4-Oxazolidinone, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-3-heptyl-2-thioxo-
cas: 63123-23-9
chemspiderid: 100880
dtxsid: DTXSID5069679
formula: C21H26N2O3S1
inchikey: MYVBWGAQWCPQTP-UHFFFAOYSA-N
norman_susdat_id: NS00035304
pubchem_cid: 112559
smiles: CCCCCCCN1C(=S)O/C(=C/C=c/2oc3c(cccc3)n2CC)/C1=O
inchi:
InChI=1S/C21H26N2O3S/c1-3-5-6-7-10-15-23-20(24)18(26-21(23)27)13-14-19-22(4-2)16-11-8-9-12-17(16)25-19/h8-9,11-14H,3-7,10,15H2,1-2H3/b18-13+,19-14-


name: 4-Thiazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)-1-methylethylidene]-2-thioxo-
cas: 63123-26-2
chemspiderid: 100882
dtxsid: DTXSID9069681
formula: C17H18N2O2S2
inchikey: WSSGAKXTPGFJFO-UHFFFAOYSA-N
norman_susdat_id: NS00035305
pubchem_cid: 112561
smiles: CCN1C(=S)S/C(=C(C)/C=c/2oc3c(cccc3)n2CC)/C1=O
inchi:
InChI=1S/C17H18N2O2S2/c1-4-18-12-8-6-7-9-13(12)21-14(18)10-11(3)15-16(20)19(5-2)17(22)23-15/h6-10H,4-5H2,1-3H3/b14-10-,15-11+


name: 1-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]quinolinium iodide
cas: 63123-27-3
dtxsid: DTXSID90886537
formula: C21H21N2O
inchikey: IOMLIHYTQVTFGV-UHFFFAOYSA-M
norman_susdat_id: NS00055691
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=3C=CC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C21H21N2O.HI/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolinium iodide
cas: 63123-28-4
dtxsid: DTXSID50886538
formula: C19H24N2O
inchikey: JNPGXBMLJPXBHB-CALJPSDSSA-N
norman_susdat_id: NS00055692
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[NH+](CC)C1C=CC=3C=C(N(C3C)CC)C
inchi:
InChI=1/C19H24N2O.HI/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13,19H,5-6H2,1-4H3;1H


name: 2-Propanone, 1-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-
cas: 63123-29-5
chemspiderid: 100887
dtxsid: DTXSID4069682
formula: C16H15N1O1S1
inchikey: FSYJVXBJEONOLT-UHFFFAOYSA-N
norman_susdat_id: NS00035306
pubchem_cid: 112566
smiles: CCn1/c(=C/C(=O)C)/sc2c1c1c(cccc1)cc2
inchi:
InChI=1S/C16H15NOS/c1-3-17-15(10-11(2)18)19-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-10H,3H2,1-2H3/b15-10-


name: Disodium 3-(2-hydroxyphenyl)-8-sulphonatobenzo[f]quinoline-1-carboxylate
cas: 63123-35-3
dtxsid: DTXSID9069683
formula: C20H13NO6S
inchikey: UNOJQQHMBPNVTE-UHFFFAOYSA-L
norman_susdat_id: NS00055172
pubchem_cid: 113020
smiles: [Na+].[Na+].O=C([O-])C=1C=C(N=C2C=CC3=CC(=CC=C3C21)S(=O)(=O)[O-])C=4C=CC=CC4O
inchi:
InChI=1/C20H13NO6S.2Na/c22-18-4-2-1-3-14(18)17-10-15(20(23)24)19-13-7-6-12(28(25,26)27)9-11(13)5-8-16(19)21-17;;/h1-10,22H,(H,23,24)(H,25,26,27);;/q;2*+1/p-2


cas: 63123-36-4
dtxsid: DTXSID10886175
formula: C26H31N2O4S2
inchikey: FQPTWMOIDJRKIA-UHFFFAOYSA-M
norman_susdat_id: NS00055713
pubchem_cid: NA
smiles: [I-].OCCCN1C(SC2=CC=C(OC)C=C21)=CC(=CC=3SC=4C=CC(OC)=CC4[N+]3CCCO)C
name:
3-(3-hydroxypropyl)-2-[3-[3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]-5-methoxybenzothiazolium iodide

inchi:
InChI=1/C26H31N2O4S2.HI/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1


name: 3-(2-methoxyethyl)-2-methyl-5-phenylbenzoxazolium p-toluenesulphonate
cas: 63123-41-1
dtxsid: DTXSID4069686
formula: C17H18NO2
inchikey: HMHRSYYUNKHLLK-UHFFFAOYSA-M
norman_susdat_id: NS00055187
pubchem_cid: 113023
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O1C2=CC=C(C=C2[N+](=C1C)CCOC)C=3C=CC=CC3
inchi:
InChI=1/C17H18NO2.C7H8O3S/c1-13-18(10-11-19-2)16-12-15(8-9-17(16)20-13)14-6-4-3-5-7-14;1-6-2-4-7(5-3-6)11(8,9)10/h3-9,12H,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Methyl 2-(p-aminophenoxy)myristate
cas: 63123-44-4
dtxsid: DTXSID70886176
formula: C21H35NO3
inchikey: MXQQOPRYJPRJKH-UHFFFAOYSA-N
norman_susdat_id: NS00055589
pubchem_cid: 112569
smiles: O=C(OC)C(OC1=CC=C(N)C=C1)CCCCCCCCCCCC
inchi:
InChI=1/C21H35NO3/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)24-2)25-19-16-14-18(22)15-17-19/h14-17,20H,3-13,22H2,1-2H3


name: N-oleoyl-D-gluconamide
cas: 63125-71-3
formula: C24H45NO7
inchikey: YYVCMYBDTCVCJV-YUMUHCJLSA-N
norman_susdat_id: NS00056493
pubchem_cid: 6454516
smiles: O=C(NC(=O)C(O)C(O)C(O)C(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H45NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(28)25-24(32)23(31)22(30)21(29)19(27)18-26/h9-10,19,21-23,26-27,29-31H,2-8,11-18H2,1H3,(H,25,28,32)


name: N-[3-[(2,3-dihydroxypropyl)amino]-4-methoxyphenyl]acetamide
cas: 63133-73-3
dtxsid: DTXSID30886177
formula: C12H18N2O4
inchikey: NOZUFNYPCCFIKF-UHFFFAOYSA-N
norman_susdat_id: NS00055714
pubchem_cid: 112570
smiles: O=C(NC1=CC=C(OC)C(=C1)NCC(O)CO)C
inchi:
InChI=1/C12H18N2O4/c1-8(16)14-9-3-4-12(18-2)11(5-9)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)


name: Triisobutyl citrate
cas: 63133-75-5
chemspiderid: 101305
dtxsid: DTXSID60212480
formula: C18H32O7
inchikey: AGBVGLJAIGBYAD-UHFFFAOYSA-N
norman_susdat_id: NS00035312
pubchem_cid: 113028
smiles: CC(C)COC(=O)CC(O)(CC(=O)OCC(C)C)C(=O)OCC(C)C
inchi:
InChI=1S/C18H32O7/c1-12(2)9-23-15(19)7-18(22,17(21)25-11-14(5)6)8-16(20)24-10-13(3)4/h12-14,22H,7-11H2,1-6H3


name: 2-Naphthalenecarboxylic acid, 5-(acetylamino)-1-hydroxy-
cas: 63133-78-8
chemspiderid: 101308
dtxsid: DTXSID9069689
formula: C13H11N1O4
inchikey: JPUYRWWCTSJJED-UHFFFAOYSA-N
norman_susdat_id: NS00035314
pubchem_cid: 113031
smiles: CC(=O)Nc1c2ccc(C(=O)O)c(O)c2ccc1
inchi:
InChI=1S/C13H11NO4/c1-7(15)14-11-4-2-3-9-8(11)5-6-10(12(9)16)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)


name: N-[2-chloro-5-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]phenyl]-4,4-dimethyl-3-oxovaleramide
cas: 63133-80-2
dtxsid: DTXSID50886179
formula: C38H57ClN2O4
inchikey: YMUPHCBQBARKGF-UHFFFAOYSA-N
norman_susdat_id: NS00055755
pubchem_cid: 112571
smiles: O=C(NC1=CC(=CC=C1Cl)NC(=O)C(OC2=CC=CC(=C2)CCCCCCCCCCCCCCC)CC)CC(=O)C(C)(C)C
inchi:
InChI=1/C38H57ClN2O4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-29-22-20-23-31(26-29)45-34(7-2)37(44)40-30-24-25-32(39)33(27-30)41-36(43)28-35(42)38(3,4)5/h20,22-27,34H,6-19,21,28H2,1-5H3,(H,40,44)(H,41,43)


name: 6-[(2-chloro-4,6-dinitrophenyl)azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-ethanol
cas: 63133-84-6
dtxsid: DTXSID90866970
formula: C21H26ClN5O5
inchikey: NPSSNNKRWJZRQW-UHFFFAOYSA-N
norman_susdat_id: NS00056535
pubchem_cid: 112572
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC=2C=C3C(=CC2C)N(CCO)C(C)(C)CC3C)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C21H24ClN5O5/c1-12-7-18-15(13(2)11-21(3,4)25(18)5-6-28)10-17(12)23-24-20-16(22)8-14(26(29)30)9-19(20)27(31)32/h7-10,13,28H,5-6,11H2,1-4H3


cas: 63133-86-8
formula: C21H16N2O7S2.K
inchikey: MLRLNUOFKSIVCZ-UHFFFAOYSA-M
norman_susdat_id: NS00087977
smiles: [K+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-]
name:
Potassium 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulphonyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C21H16N2O7S2.K/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,28,29,30);/q;+1/p-1


name: Diethyl ß,ß'-dihydroxybenzene-1,4-dipropionate
cas: 63133-89-1
dtxsid: DTXSID60979102
formula: C16H22O6
inchikey: YQKIPPOWPUMQJF-UHFFFAOYSA-N
norman_susdat_id: NS00055634
pubchem_cid: 112573
smiles: O=C(OCC)CC(O)C1=CC=C(C=C1)C(O)CC(=O)OCC
inchi:
InChI=1/C16H22O6/c1-3-21-15(19)9-13(17)11-5-7-12(8-6-11)14(18)10-16(20)22-4-2/h5-8,13-14,17-18H,3-4,9-10H2,1-2H3


name: N-[2-[[4-[(2-chloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]phthalimide
cas: 63133-94-8
dtxsid: DTXSID20886540
formula: C25H23ClN5O4
inchikey: IDFURFDINRJNOG-UHFFFAOYSA-N
norman_susdat_id: NS00056536
pubchem_cid: 113037
smiles: O=C1C=2C=CC=CC2C(=O)N1CCN(C3=CC=C(N=NC4=CC=C(C=C4Cl)[N+](=O)[O-])C(=C3)C)CC
inchi:
InChI=1/C25H22ClN5O4/c1-3-29(12-13-30-24(32)19-6-4-5-7-20(19)25(30)33)17-8-10-22(16(2)14-17)27-28-23-11-9-18(31(34)35)15-21(23)26/h4-11,14-15H,3,12-13H2,1-2H3


name: Acetamide, 2-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-N-[3-[ethyl(phenylmethyl)amino]phenyl]-
cas: 63133-99-3
chemspiderid: 101314
dtxsid: DTXSID8069694
formula: C24H25Cl1N4O3S1
inchikey: OCZYDPDMWMVEFX-UHFFFAOYSA-N
norman_susdat_id: NS00035316
pubchem_cid: 113040
smiles: CCN(Cc1ccccc1)c1cccc(NC(=O)CN=Nc2c(Cl)cc(cc2)S(=O)(=O)C)c1
inchi:
InChI=1S/C24H25ClN4O3S/c1-3-29(17-18-8-5-4-6-9-18)20-11-7-10-19(14-20)27-24(30)16-26-28-23-13-12-21(15-22(23)25)33(2,31)32/h4-15H,3,16-17H2,1-2H3,(H,27,30)/b28-26+


name: Acetamide, N-[2-[ethyl[3-methyl-4-[(6-methyl-2-benzothiazolyl)azo]phenyl]amino]ethyl]-
cas: 63134-02-1
chemspiderid: 101315
dtxsid: DTXSID3069695
formula: C21H25N5O1S1
inchikey: VAAUVVLIZRXVHB-UHFFFAOYSA-N
norman_susdat_id: NS00035317
pubchem_cid: 113041
smiles: CCN(CCNC(=O)C)c1cc(C)c(cc1)N=Nc1nc2c(s1)cc(C)cc2
inchi:
InChI=1S/C21H25N5OS/c1-5-26(11-10-22-16(4)27)17-7-9-18(15(3)13-17)24-25-21-23-19-8-6-14(2)12-20(19)28-21/h6-9,12-13H,5,10-11H2,1-4H3,(H,22,27)/b25-24+


name: 6-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-ethanol
cas: 63134-03-2
dtxsid: DTXSID50866971
formula: C22H28ClN3O3S
inchikey: HOOCPUZKGIXXDM-UHFFFAOYSA-N
norman_susdat_id: NS00055635
pubchem_cid: 112579
smiles: O=S(=O)(C1=CC=C(N=NC=2C=C3C(=CC2C)N(CCO)C(C)(C)CC3C)C(Cl)=C1)C
inchi:
InChI=1/C22H28ClN3O3S/c1-14-10-21-17(15(2)13-22(3,4)26(21)8-9-27)12-20(14)25-24-19-7-6-16(11-18(19)23)30(5,28)29/h6-7,10-12,15,27H,8-9,13H2,1-5H3


cas: 63134-10-1
dtxsid: DTXSID20886545
formula: C23H29BrN6O5
inchikey: VAWZBCGBLAZCHP-UHFFFAOYSA-N
norman_susdat_id: NS00055756
pubchem_cid: 112581
smiles: O=C(NC=1C=C2C(=CC1N=NC3=C(Br)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C(C)CC(N2CC)(C)C)CC
name:
N-[6-[(2-bromo-4,6-dinitrophenyl)azo]-1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-7-yl]propionamide

inchi:
InChI=1/C23H27BrN6O5/c1-6-21(31)25-17-11-19-15(13(3)12-23(4,5)28(19)7-2)10-18(17)26-27-22-16(24)8-14(29(32)33)9-20(22)30(34)35/h8-11,13H,6-7,12H2,1-5H3,(H,25,31)


name: 1-Hexadecanesulfonamide, N-(3-amino-4-chlorophenyl)-
cas: 63134-12-3
chemspiderid: 101320
dtxsid: DTXSID3069699
formula: C22H39Cl1N2O2S1
inchikey: ZILOAZTVOLFCRO-UHFFFAOYSA-N
norman_susdat_id: NS00035319
pubchem_cid: 113046
smiles: CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cc(N)c(Cl)cc1
inchi:
InChI=1S/C22H39ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28(26,27)25-20-16-17-21(23)22(24)19-20/h16-17,19,25H,2-15,18,24H2,1H3


name: Acetamide, N-[5-(dipropylamino)-2-[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]azo]phenyl]-
cas: 63134-15-6
chemspiderid: 101322
dtxsid: DTXSID0069701
formula: C18H26N6O1S2
inchikey: RYUOZOUELVJZGD-UHFFFAOYSA-N
norman_susdat_id: NS00035321
pubchem_cid: 113048
smiles: CCCN(CCC)c1cc(NC(=O)C)c(cc1)N=Nc1nnc(SCC)s1
inchi:
InChI=1S/C18H26N6OS2/c1-5-10-24(11-6-2)14-8-9-15(16(12-14)19-13(4)25)20-21-17-22-23-18(27-17)26-7-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,19,25)/b21-20+


name: Methyl 2-(4-acetamidophenoxy)myristate
cas: 63134-19-0
dtxsid: DTXSID80886546
formula: C23H37NO4
inchikey: CDRWELMQOGDRDI-UHFFFAOYSA-N
norman_susdat_id: NS00055757
pubchem_cid: 112582
smiles: O=C(OC)C(OC1=CC=C(C=C1)NC(=O)C)CCCCCCCCCCCC
inchi:
InChI=1/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-22(23(26)27-3)28-21-17-15-20(16-18-21)24-19(2)25/h15-18,22H,4-14H2,1-3H3,(H,24,25)


name: Benzamide, N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-nitro-
cas: 63134-25-8
chemspiderid: 101329
dtxsid: DTXSID5069708
formula: C16H9Cl3N4O4
inchikey: NVMCTYFWKJPYBA-UHFFFAOYSA-N
norman_susdat_id: NS00035323
pubchem_cid: 113055
smiles: [O-][N+](=O)c1cc(ccc1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl
inchi:
InChI=1S/C16H9Cl3N4O4/c17-9-5-11(18)15(12(19)6-9)22-14(24)7-13(21-22)20-16(25)8-2-1-3-10(4-8)23(26)27/h1-6H,7H2,(H,20,21,25)


name: Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-.beta.-oxo-
cas: 63134-28-1
chemspiderid: 101332
dtxsid: DTXSID4069711
formula: C16H14N2O5
inchikey: GXVZEBWLFFMKMY-UHFFFAOYSA-N
norman_susdat_id: NS00035324
pubchem_cid: 113058
smiles: COc1c(NC(=O)CC(=O)c2cccc(c2)[N+](=O)[O-])cccc1
inchi:
InChI=1S/C16H14N2O5/c1-23-15-8-3-2-7-13(15)17-16(20)10-14(19)11-5-4-6-12(9-11)18(21)22/h2-9H,10H2,1H3,(H,17,20)


name: 4-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide
cas: 63134-29-2
chemspiderid: 101333
dtxsid: DTXSID7052313
formula: C26H35Cl1N2O4
inchikey: ZUAUHOGKVXHHOK-UHFFFAOYSA-N
norman_susdat_id: NS00035325
pubchem_cid: 113059
smiles: CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(c2)[N+](=O)[O-])c(c1)C(C)(C)CC
inchi:
InChI=1S/C26H35ClN2O4/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)33-15-9-10-24(30)28-19-12-13-21(27)22(17-19)29(31)32/h11-14,16-17H,7-10,15H2,1-6H3,(H,28,30)


name: BPS-MPE4
cas: 63134-33-8
chemspiderid: 101336
dtxsid: DTXSID4058655
formula: C19H16O4S1
inchikey: OAHRHEHKTRXORG-UHFFFAOYSA-N
norman_susdat_id: NS00035326
pubchem_cid: 14178379
smiles: Oc1ccc(cc1)S(=O)(=O)c1ccc(OCc2ccccc2)cc1
inchi:
InChI=1S/C19H16O4S/c20-16-6-10-18(11-7-16)24(21,22)19-12-8-17(9-13-19)23-14-15-4-2-1-3-5-15/h1-13,20H,14H2


name: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-,
cas: 63147-42-2
chemspiderid: 5289134
dtxsid: DTXSID8043733
formula: C22H17N5O7S2
inchikey: WGIIJSJDWAQMMF-JQRDNDPDSA-N
norman_susdat_id: NS00035332
pubchem_cid: NA
smiles: Nc1cc2c(cc1)C(=O)/C(=NNc1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)/C(=C2)S(=O)(=O)O
inchi:
InChI=1S/C22H17N5O7S2/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31/h1-12,26H,23H2,(H,29,30,31)(H,32,33,34)/b25-24+,27-21-


name: Ammonium 3,6,9,12,15,18-hexaoxahentriacontyl sulphate
cas: 63148-75-4
formula: C25H52O10S
inchikey: LHOOJRCYCDJNJX-UHFFFAOYSA-N
norman_susdat_id: NS00055654
pubchem_cid: 113067
smiles: O=S(=O)([O-])OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCC.[NH4+]
inchi:
InChI=1/C25H52O10S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-29-14-15-30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-36(26,27)28;/h2-25H2,1H3,(H,26,27,28);1H3


cas: 63148-77-6
dtxsid: DTXSID4069717
formula: C21H24N4O8S3
inchikey: XFRJLKYCTFMGRC-UHFFFAOYSA-N
norman_susdat_id: NS00055655
pubchem_cid: 113068
smiles: O=S(=O)(O)C1=CC=C(N=NC2=CC(=C(O)C=3C=CC=C(NS(=O)(=O)C)C23)S(=O)(=O)NC(C)(C)C)C=C1
name:
4-[[3-[[(1,1-dimethylethyl)amino]sulphonyl]-4-hydroxy-8-[(methylsulphonyl)amino]-1-naphthyl]azo]benzenesulphonic acid

inchi:
InChI=1/C21H24N4O8S3/c1-21(2,3)25-35(29,30)18-12-17(23-22-13-8-10-14(11-9-13)36(31,32)33)19-15(20(18)26)6-5-7-16(19)24-34(4,27)28/h5-12,24-26H,1-4H3,(H,31,32,33)


cas: 63148-81-2
dtxsid: DTXSID70979118
formula: C24H27N2O4S
inchikey: ZBNXZDUJGJNFHA-UHFFFAOYSA-N
norman_susdat_id: NS00055656
pubchem_cid: 2735017
smiles: O=S(=O)([O-])C1=CC(=CC=C1OC)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C
name:
[4-[[4-(dimethylamino)phenyl](4-methoxy-3-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium

inchi:
InChI=1/C24H26N2O4S/c1-25(2)20-11-6-17(7-12-20)24(18-8-13-21(14-9-18)26(3)4)19-10-15-22(30-5)23(16-19)31(27,28)29/h6-16H,1-5H3


name: 4-amino-1-hydroxy-N,N-dioctadecylnaphthalene-1-carboxamide monohydrochloride
cas: 63148-82-3
dtxsid: DTXSID30979119
formula: C47H84N2O2
inchikey: QVZOXGNMJZWIGB-UHFFFAOYSA-N
norman_susdat_id: NS00055758
pubchem_cid: 20841950
smiles: Cl.O=C(N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)C1(O)C=2C=CC=CC2C(N)=CC1
inchi:
InChI=1/C47H84N2O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-49(46(50)47(51)40-39-45(48)43-37-33-34-38-44(43)47)42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33-34,37-39,51H,3-32,35-36,40-42,48H2,1-2H3;1H


name: 2-[4-(phenylamino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium
cas: 63148-83-4
dtxsid: DTXSID40979120
formula: C25H25N2O3S2
inchikey: DKXSAABHHCPLME-UHFFFAOYSA-N
norman_susdat_id: NS00055237
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CC[N+]1=C(SC=2C=C3C=CC=CC3=CC21)C=CC=CNC=4C=CC=CC4
inchi:
InChI=1/C25H24N2O3S2/c1-19(32(28,29)30)14-16-27-23-17-20-9-5-6-10-21(20)18-24(23)31-25(27)13-7-8-15-26-22-11-3-2-4-12-22/h2-13,15,17-19H,14,16H2,1H3,(H,28,29,30)


name: 2-[4-(acetylanilino)-1,3-butadienyl]-3-(3-sulphonatobutyl)naphtho[2,3-d]thiazolium
cas: 63148-84-5
formula: C27H27N2O4S2
inchikey: UTOORHZTIHHFPH-UHFFFAOYSA-N
norman_susdat_id: NS00055657
pubchem_cid: NA
smiles: O=C(C=1C=CC=CC1NC=CC=CC=2SC=3C=C4C=CC=CC4=CC3[N+]2CCC(C)S(=O)(=O)[O-])C
inchi:
InChI=1/C27H26N2O4S2/c1-19(35(31,32)33)14-16-29-25-17-21-9-3-4-10-22(21)18-26(25)34-27(29)13-7-8-15-28-24-12-6-5-11-23(24)20(2)30/h3-13,15,17-19H,14,16H2,1-2H3,(H,31,32,33)


name: 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethyl-5-sulphonatobenzoxazolium
cas: 63148-85-6
dtxsid: DTXSID8069721
formula: C21H21N2O5S
inchikey: NQNSPTOSRIHBGE-UHFFFAOYSA-N
norman_susdat_id: NS00055818
pubchem_cid: NA
smiles: O=C(N(C=CC=CC=1OC=2C=CC(=CC2[N+]1CC)S(=O)(=O)[O-])C=3C=CC=CC3)C
inchi:
InChI=1/C21H20N2O5S/c1-3-22-19-15-18(29(25,26)27)12-13-20(19)28-21(22)11-7-8-14-23(16(2)24)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3


name: 5,6-dichloro-1-ethyl-2-[2-(phenylamino)vinyl]-3-(3-sulphonatobutyl)-1H-benzimidazolium
cas: 63148-86-7
dtxsid: DTXSID00979121
formula: C21H25Cl2N3O3S
inchikey: CBBATTVCHCOSJZ-PKNBQFBNSA-N
norman_susdat_id: NS00056575
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C2=CC(Cl)=C(Cl)C=C2[NH+](CC)C1C=CNC=3C=CC=CC3
inchi:
InChI=1/C21H25Cl2N3O3S/c1-3-25-19-13-17(22)18(23)14-20(19)26(12-10-15(2)30(27,28)29)21(25)9-11-24-16-7-5-4-6-8-16/h4-9,11,13-15,21,24H,3,10,12H2,1-2H3,(H,27,28,29)


cas: 63148-87-8
dtxsid: DTXSID3069722
formula: C24H25Cl2N2O5S
inchikey: XTSMIHWGFVIPIR-UHFFFAOYSA-N
norman_susdat_id: NS00055702
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(C=C3OC4=CC=C(Cl)C=C4N3CC)CC
name:
5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium

inchi:
InChI=1/C24H24Cl2N2O5S/c1-3-16(12-23-27(4-2)19-14-17(25)6-8-21(19)32-23)13-24-28(10-5-11-34(29,30)31)20-15-18(26)7-9-22(20)33-24/h6-9,12-15H,3-5,10-11H2,1-2H3


cas: 63148-88-9
dtxsid: DTXSID60979122
formula: C27H31Cl2N2O6S4
inchikey: NNMQYTMACFLYLD-UHFFFAOYSA-N
norman_susdat_id: NS00055283
pubchem_cid: NA
name:
Hydrogen 5-chloro-2-[2-[[5-chloro-3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C27H30Cl2N2O6S4.C6H15N.H2/c1-4-19(13-26-30(11-9-17(2)40(32,33)34)22-15-20(28)5-7-24(22)38-26)14-27-31(12-10-18(3)41(35,36)37)23-16-21(29)6-8-25(23)39-27;1-4-7(5-2)6-3;/h5-8,13-18H,4,9-12H2,1-3H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])C(C)CCN1C(SC2=CC=C(Cl)C=C21)=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CCC(C)S(=O)(=O)[O-])CC.N(CC)(CC)CC


name: 5-chloro-2-(2-ethoxybut-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
cas: 63148-89-0
dtxsid: DTXSID8069723
formula: C16H21ClNO5S
inchikey: VWMFWTUKPDOUCL-UHFFFAOYSA-N
norman_susdat_id: NS00055819
pubchem_cid: 112598
smiles: O=S(=O)([O-])CCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(OCC)CC
inchi:
InChI=1/C16H20ClNO5S/c1-3-13(22-4-2)11-16-18(8-5-9-24(19,20)21)14-10-12(17)6-7-15(14)23-16/h6-7,10-11H,3-5,8-9H2,1-2H3


cas: 63148-90-3
formula: C32H34ClN2O8S2
inchikey: FWPQPRLLYITZGV-UHFFFAOYSA-N
norman_susdat_id: NS00055703
pubchem_cid: NA
name:
Hydrogen 5-chloro-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C32H33ClN2O8S2.C6H15N.H2/c1-3-23(18-31-34(15-7-17-44(36,37)38)28-21-26(33)11-13-30(28)43-31)19-32-35(16-14-22(2)45(39,40)41)27-20-25(10-12-29(27)42-32)24-8-5-4-6-9-24;1-4-7(5-2)6-3;/h4-6,8-13,18-22H,3,7,14-17H2,1-2H3,(H-,36,37,38,39,40,41);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCC[N+]1=C(OC=2C=CC(Cl)=CC21)C=C(C=C3OC=4C=CC(=CC4N3CCC(C)S(=O)(=O)[O-])C=5C=CC=CC5)CC.N(CC)(CC)CC


cas: 63148-97-0
dtxsid: DTXSID8069725
formula: C23H27N2O8S4
inchikey: XGDLAZBMOHDWKV-UHFFFAOYSA-N
norman_susdat_id: NS00055704
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCN1C(SC2=CC=C(OC)C=C21)=CC=3SC=4C=CC(OC)=CC4[N+]3CCCS(=O)(=O)[O-].N(CC)(CC)CC
name:
Hydrogen 5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C23H26N2O8S4.C6H15N.H2/c1-32-16-5-7-20-18(13-16)24(9-3-11-36(26,27)28)22(34-20)15-23-25(10-4-12-37(29,30)31)19-14-17(33-2)6-8-21(19)35-23;1-4-7(5-2)6-3;/h5-8,13-15H,3-4,9-12H2,1-2H3,(H-,26,27,28,29,30,31);4-6H2,1-3H3;1H/q;;+1/p-1


name: 2-(2-ethoxybut-1-enyl)-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium
cas: 63148-98-1
formula: C23H28NO5S
inchikey: MELDWZHRDNMCFT-UHFFFAOYSA-N
norman_susdat_id: NS00055705
pubchem_cid: 112603
smiles: O=S(=O)([O-])C(C)CC[N+]1=C(OC2=CC=C(C=C21)C=3C=CC=CC3)C=C(OCC)CC
inchi:
InChI=1/C23H27NO5S/c1-4-20(28-5-2)16-23-24(14-13-17(3)30(25,26)27)21-15-19(11-12-22(21)29-23)18-9-7-6-8-10-18/h6-12,15-17H,4-5,13-14H2,1-3H3


name: 3-ethyl-2-[4-(phenylamino)buta-1,3-dienyl]-5-sulphonatobenzoxazolium
cas: 63149-00-8
dtxsid: DTXSID8069727
formula: C19H19N2O4S
inchikey: WMZXODXRKNUELQ-UHFFFAOYSA-N
norman_susdat_id: NS00056576
pubchem_cid: NA
smiles: O=S(=O)([O-])C=1C=CC=2OC(C=CC=CNC=3C=CC=CC3)=[N+](C2C1)CC
inchi:
InChI=1/C19H18N2O4S/c1-2-21-17-14-16(26(22,23)24)11-12-18(17)25-19(21)10-6-7-13-20-15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,22,23,24)


cas: 63149-02-0
dtxsid: DTXSID80979124
formula: C26H31N2O6S4
inchikey: KCSSBAQVWVNGSY-UHFFFAOYSA-N
norman_susdat_id: NS00055284
pubchem_cid: NA
name:
Hydrogen 2-[2-methyl-3-[3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]prop-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C26H30N2O6S4.C6H15N.H2/c1-18(16-25-27(14-12-19(2)37(29,30)31)21-8-4-6-10-23(21)35-25)17-26-28(15-13-20(3)38(32,33)34)22-9-5-7-11-24(22)36-26;1-4-7(5-2)6-3;/h4-11,16-17,19-20H,12-15H2,1-3H3,(H-,29,30,31,32,33,34);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].O=S(=O)([O-])C(C)CCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC=CC4[N+]3CCC(C)S(=O)(=O)[O-])C.N(CC)(CC)CC


name: 4-(phenylthio)-1-(4-sulphonatobutyl)pyridinium
cas: 63149-06-4
dtxsid: DTXSID7069730
formula: C15H18NO3S2
inchikey: QZNKYTVDANPFQE-UHFFFAOYSA-N
norman_susdat_id: NS00055720
pubchem_cid: 113082
smiles: O=S(=O)([O-])CCCC[N+]1=CC=C(SC=2C=CC=CC2)C=C1
inchi:
InChI=1/C15H17NO3S2/c17-21(18,19)13-5-4-10-16-11-8-15(9-12-16)20-14-6-2-1-3-7-14/h1-3,6-9,11-12H,4-5,10,13H2


name: 1,3-Propanedione, 1,3-di-2-furanyl-2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-
cas: 63149-07-5
chemspiderid: 100926
dtxsid: DTXSID2069731
formula: C23H15N1O4S1
inchikey: SGMODQNVAQABMZ-UHFFFAOYSA-N
norman_susdat_id: NS00035335
pubchem_cid: 112611
smiles: Cn1c(=C(C(=O)c2ccco2)C(=O)c2ccco2)sc2c1c1ccccc1cc2
inchi:
InChI=1S/C23H15NO4S/c1-24-20-15-7-3-2-6-14(15)10-11-18(20)29-23(24)19(21(25)16-8-4-12-27-16)22(26)17-9-5-13-28-17/h2-13H,1H3


cas: 63149-10-0
chemspiderid: 101357
dtxsid: DTXSID7069734
formula: C26H19Cl1N2O7S1
inchikey: XAVDJYWQEBDPNQ-UHFFFAOYSA-N
norman_susdat_id: NS00035336
pubchem_cid: 113086
smiles: CCOC(=O)c1c2c3c(cccc3)c(=O)c3c(Nc4ccc(Cl)cc4S(=O)(=O)O)ccc(n(C)c1=O)c23
name:
3H-Dibenz[f,ij]isoquinoline-1-carboxylic acid, 6-[(4-chloro-2-sulfophenyl)amino]-2,7-dihydro-3-methyl-2,7-dioxo-, 1-ethyl ester

inchi:
InChI=1S/C26H19ClN2O7S/c1-3-36-26(32)23-20-14-6-4-5-7-15(14)24(30)21-17(10-11-18(22(20)21)29(2)25(23)31)28-16-9-8-13(27)12-19(16)37(33,34)35/h4-12,28H,3H2,1-2H3,(H,33,34,35)


cas: 63149-14-4
dtxsid: DTXSID40979125
formula: C27H22N2O7S
inchikey: QVXNYPRHFHUQPZ-UHFFFAOYSA-N
norman_susdat_id: NS00057059
pubchem_cid: 113089
smiles: O=C(OCC)C=1C(=O)N(C2=CC=C(NC3=CC=C(C=C3S(=O)(=O)[O-])C)C=4C(=O)C=5C=CC=CC5C1C24)C.[NH4+]
name:
Ammonium 1-ethyl 2,7-dihydro-3-methyl-6-[(4-methyl-2-sulphonatophenyl)amino]-2,7-dioxo-3H-dibenz[f,ij]isoquinoline-1-carboxylate

inchi:
InChI=1/C27H22N2O7S.H3N/c1-4-36-27(32)24-21-15-7-5-6-8-16(15)25(30)22-18(11-12-19(23(21)22)29(3)26(24)31)28-17-10-9-14(2)13-20(17)37(33,34)35;/h5-13,28H,4H2,1-3H3,(H,33,34,35);1H3


name: 5-chloro-3-ethyl-2-methylbenzothiazolium p-toluenesulphonate
cas: 63149-16-6
dtxsid: DTXSID7069736
formula: C10H11ClNS
inchikey: GYXTWUJZURSNCF-UHFFFAOYSA-M
norman_susdat_id: NS00056190
pubchem_cid: 113090
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.ClC=1C=CC=2SC(=[N+](C2C1)CC)C
inchi:
InChI=1/C10H11ClNS.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 3-ethyl-2-[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)vinyl]benzoxazolium chloride
cas: 63149-22-4
dtxsid: DTXSID90886552
formula: C19H23N2O
inchikey: JDXLARMHNZWEIS-UHFFFAOYSA-M
norman_susdat_id: NS00057060
pubchem_cid: NA
smiles: [Cl-].O1C=2C=CC=CC2[N+](=C1C=CC=3C=C(N(C3C)CC)C)CC
inchi:
InChI=1/C19H23N2O.ClH/c1-5-20-14(3)13-16(15(20)4)11-12-19-21(6-2)17-9-7-8-10-18(17)22-19;/h7-13H,5-6H2,1-4H3;1H/q+1;/p-1


