# cl_id

name: Novobiocin
cas: 303-81-1
chemspiderid: 10226117
dtxsid: DTXSID3041083
formula: C31H36N2O11
inchikey: NCRNFXDIIHROHW-UHFFFAOYSA-N
norman_susdat_id: NS00004243
pubchem_cid: 87271666
smiles: COC1C(OC(N)=O)C(O)C(Oc2ccc3C(=O)C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)OC1(C)C
inchi:
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,21,23,25-26,29,34,36H,8H2,1-6H3,(H2,32,39)(H,33,37)


name: Ubidecarenone
cas: 303-98-0
chebiid: CHEBI:46245
chemspiderid: 4445197
dtxsid: DTXSID6046054
formula: C59H90O4
inchikey: ACTIUHUUMQJHFO-UPTCCGCDSA-N
norman_susdat_id: NS00014191
pubchem_cid: 5281915
inchi:
InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

smiles:
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C


name: Zinc di(benzimidazol-2-yl) disulphide
cas: 3030-80-6
formula: C7H6N2S.1/2Zn
inchikey: HQYFKBJJJHDINU-UHFFFAOYSA-L
norman_susdat_id: NS00082404
smiles: S([Zn]Sc1nc2ccccc2[nH]1)c3nc4ccccc4[nH]3
inchi:
InChI=1/2C7H6N2S.Zn/c2*10-7-8-5-3-1-2-4-6(5)9-7;/h2*1-4H,(H2,8,9,10);/q;;+2/p-2/rC14H10N4S2Zn/c1-2-6-10-9(5-1)15-13(16-10)19-21-20-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)


name: Carbonic acid, (1R)-2-hydroxy-1-methylethyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
cas: 30304-82-6
chemspiderid: 34994990
formula: C14H26O4
inchikey: ILYLFTONJARHOX-FVCCEPFGSA-N
norman_susdat_id: NS00022015
pubchem_cid: 76956434
smiles: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)O[C@H](C)CO)C(C)C
inchi:
InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-11(4)8-15/h9-13,15H,5-8H2,1-4H3/t10-,11-,12+,13-/m1/s1


name: Acetergamine
cas: 3031-48-9
formula: C18H23N3O
inchikey: SGZVEWGAZGOWGP-XGWLTEMNSA-N
norman_susdat_id: NS00047793
pubchem_cid: 71118
smiles: O=C(NCC1CN(C)C2CC3=CNC4=CC=CC(=C43)C2C1)C
inchi:
InChI=1/C18H23N3O/c1-11(22)19-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)21(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H,19,22)


name: AICA ribonucleotide
cas: 3031-94-5
chebiid: CHEBI:18406
chemspiderid: 58620
formula: C9H15N4O8P1
inchikey: NOTGFIUVDGNKRI-UUOKFMHZSA-N
norman_susdat_id: NS00015007
pubchem_cid: 65110
smiles: O=P(O)(O)OCC2OC(n1cnc(C(=O)N)c1N)C(O)C2O
inchi:
InChI=1S/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1


cas: 30315-65-2
chebiid: CHEBI:83125
dtxsid: DTXSID80865598
formula: C35H56N6O13
inchikey: AKLLFACZGZTMGS-FCRFISLRSA-N
norman_susdat_id: NS00073585
pubchem_cid: 23636677
name:
4-[(3-{5-[3-(n,5-dihydroxy-3-methylpent-2-enamido)propyl]-3,6-dioxopiperazin-2-yl}propyl)(hydroxy)carbamoyl]-3-methylbut-3-en-1-yl 5-(n,5-dihydroxy-3-methylpent-2-enamido)-2-acetamidopentanoate

inchi:
InChI=1S/C35H56N6O13/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43/h20-22,27-29,42-43,51-53H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48)/b23-20+,24-21+,25-22+/t27-,28-,29-/m0/s1

smiles:
CC(=O)N[C@@H](CCCN(O)C(=O)/C=C(C)CCO)C(=O)OCC/C(C)=C/C(=O)N(O)CCC[C@@H]1NC(=O)[C@H](CCCN(O)C(=O)/C=C(C)CCO)NC1=O


name: Dihydro-2,2-dioctyl-6H-1,3,2-oxathiastannin-6-one
cas: 3033-29-2
dtxsid: DTXSID9062801
formula: C19H38O2SSn
inchikey: WLDRJVJOEKXTIE-UHFFFAOYSA-L
norman_susdat_id: NS00047804
pubchem_cid: NA
smiles: O=C1O[Sn](SCC1)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.C3H6O2S.Sn/c2*1-3-5-7-8-6-4-2;4-3(5)1-2-6;/h2*1,3-8H2,2H3;6H,1-2H2,(H,4,5);/q;;;+2/p-2/rC19H38O2SSn/c1-3-5-7-9-11-13-17-23(21-19(20)15-16-22-23)18-14-12-10-8-6-4-2/h3-18H2,1-2H3


name: 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]propionic acid
cas: 30342-62-2
formula: C25H48N2O3
inchikey: AYCJBRAHGLZCEK-UHFFFAOYSA-N
norman_susdat_id: NS00083803
smiles: CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
inchi:
InChI=1/C25H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h2-23H2,1H3,(H,28,29)


name: Octyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 30342-63-3
formula: C8H19O4P.C6H15NO3
inchikey: QEWABYCCMMQIHS-UHFFFAOYSA-N
norman_susdat_id: NS00084529
smiles: CCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C8H19O4P.C6H15NO3/c1-2-3-4-5-6-7-8-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H2,9,10,11);8-10H,1-6H2


name: Dihydroxythiobinupharidine
cas: 30343-70-5
chemspiderid: 15816477
formula: C30H42N2O4S
inchikey: DYEOLAMWQVWASS-XKCSGWQSSA-N
norman_susdat_id: NS00094385
pubchem_cid: 23214865
smiles:
C[C@@H]1CC[C@H](N2[C@H]1CC[C@@]3([C@H]2O)C[C@]4(CC[C@H]5[C@@H](CC[C@H](N5[C@@H]4O)C6=COC=C6)C)SC3)C7=COC=C7


name: Thiobinupharidine
cas: 30343-72-7
chebiid: CHEBI:9548
chemspiderid: 390975
dtxsid: DTXSID50331876
formula: C30H42N2O2S
inchikey: WBMOHCBEBDKSBI-JYZUVFRYSA-N
norman_susdat_id: NS00094733
pubchem_cid: 442554
smiles: C[C@@H]1CC[C@H](N2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@H](N3C4)C3=COC=C3)CC[C@@H]12)C1=COC=C1
inchi:
InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1


name: N3,N4-Dimethyl-L-arginine
cas: 30344-00-4
chebiid: CHEBI:61914
chemspiderid: 147942
formula: C8H18N4O2
inchikey: HVPFXCBJHIIJGS-LURJTMIESA-N
norman_susdat_id: NS00015010
pubchem_cid: NA
smiles: CNC(=NC)NCCC[C@@H](C(=O)O)N
inchi:
InChI=1S/C8H18N4O2/c1-10-8(11-2)12-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H,13,14)(H2,10,11,12)/t6-/m0/s1


name: Tetrabutylphosphonium acetate
cas: 30345-49-4
formula: C16H36P.C2H3O2
inchikey: GFZMLBWMGBLIDI-UHFFFAOYSA-M
norman_susdat_id: NS00084101
smiles: CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)[O-]
inchi:
InChI=1/C16H36P.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: (S)-1,2,3,4,5,6,7,8-octahydro-1-[(4-methoxyphenyl)methyl]isoquinoline
cas: 30356-07-1
dtxsid: DTXSID80952699
formula: C17H23NO
inchikey: NPEVCJZMQGZNET-KRWDZBQOSA-N
norman_susdat_id: NS00049800
pubchem_cid: 10308112
smiles: O(C1=CC=C(C=C1)CC2NCCC3=C2CCCC3)C
inchi:
InChI=1/C17H23NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9,17-18H,2-5,10-12H2,1H3


name: 3-(2-ammonioethyl)-5-hydroxy-1H-indolium oxalate
cas: 3036-16-6
formula: C10H12N2O.C2H2O4
inchikey: VTBOICJSERLVPD-UHFFFAOYSA-N
norman_susdat_id: NS00083136
smiles: [NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C10H12N2O.C2H2O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;3-1(4)2(5)6/h1-2,5-6,12-13H,3-4,11H2;(H,3,4)(H,5,6)


name: Sodium N-methyl-N-(1-oxotetradecyl)aminoacetate
cas: 30364-51-3
formula: C17H33NO3.Na
inchikey: KHCOJQDJOCNUGV-UHFFFAOYSA-M
norman_susdat_id: NS00083828
smiles: CCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na]
inchi:
InChI=1/C17H33NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(19)18(2)15-17(20)21;/h3-15H2,1-2H3,(H,20,21);/q;+1/p-1


name: 2-Naphthalenecarboxamide, 1-hydroxy-N-[3-(4-morpholinyl)propyl]-
cas: 30367-05-6
chemspiderid: 108570
dtxsid: DTXSID1067548
formula: C18H22N2O3
inchikey: JJEAHXPPYZKVHZ-UHFFFAOYSA-N
norman_susdat_id: NS00028909
pubchem_cid: 121680
smiles: Oc1c(ccc2c1cccc2)C(=O)NCCCN1CCOCC1
inchi:
InChI=1S/C18H22N2O3/c21-17-15-5-2-1-4-14(15)6-7-16(17)18(22)19-8-3-9-20-10-12-23-13-11-20/h1-2,4-7,21H,3,8-13H2,(H,19,22)


name: Dioctadecyl hydrogen phosphate
cas: 3037-89-6
formula: C36H75O4P
inchikey: FRXGWNKDEMTFPL-UHFFFAOYSA-N
norman_susdat_id: NS00083137
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H75O4P/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/h3-36H2,1-2H3,(H,37,38)


name: 3-(arabinosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
cas: 30370-87-7
formula: C20H18O11
inchikey: BDCDNTVZSILEOY-UHFFFAOYSA-N
norman_susdat_id: NS00049834
pubchem_cid: 12308704
smiles: O=C1C(OC2OC(CO)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(O)C4
inchi:
InChI=1/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2


name: vinyltris(1-methoxy-2-propoxy)silane
cas: 303746-21-6
dtxsid: DTXSID30617660
formula: C14H30O6Si
inchikey: GIULZHHFWWUSIH-UHFFFAOYSA-N
norman_susdat_id: NS00113642
smiles: CCC(OC)O[Si](OC(CC)OC)(OC(CC)OC)C=C
inchi:
InChI=1S/C14H30O6Si/c1-8-12(15-5)18-21(11-4,19-13(9-2)16-6)20-14(10-3)17-7/h11-14H,4,8-10H2,1-3,5-7H3


name: Ethyl perfluorononan-1-oate
cas: 30377-52-7
chemspiderid: 108571
dtxsid: DTXSID60184456
formula: C11H5F17O2
inchikey: DRLDSHOYANTUND-UHFFFAOYSA-N
norman_susdat_id: NS00018909
pubchem_cid: 121681
smiles: CCOC(=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/C11H5F17O2/c1-2-30-3(29)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/h2H2,1H3


name: Potassium henicosafluoroundecanoate
cas: 30377-53-8
dtxsid: DTXSID90896656
formula: C11F21KO2
inchikey: HLQVLXNUQDBRAP-UHFFFAOYSA-M
norman_susdat_id: NS00112194
smiles: [K+].[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.K/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


name: 1H-Benzimidazolium, 6-chloro-1-ethyl-2-methyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt
cas: 30377-68-5
chemspiderid: 2299617
dtxsid: DTXSID0067551
formula: C14H17Cl1F3N2O3S1
inchikey: FDUCVSFKFRCLCP-UHFFFAOYSA-N
norman_susdat_id: NS00028913
pubchem_cid: 3035340
smiles: CCn1c(C)[n+](CCCS(=O)(=O)[O-])c2cc(c(Cl)cc12)C(F)(F)F
inchi:
InChI=1S/C14H16ClF3N2O3S/c1-3-19-9(2)20(5-4-6-24(21,22)23)12-7-10(14(16,17)18)11(15)8-13(12)19/h7-8H,3-6H2,1-2H3/p+1


name: EINECS 250-163-9
cas: 30377-70-9
chemspiderid: 4589017
dtxsid: DTXSID20184457
formula: C29H31Cl2F6N4O6S2
inchikey: TWSPMPJAHLXLEJ-UHFFFAOYSA-N
norman_susdat_id: NS00028914
pubchem_cid: 5486666
inchi:
InChI=1S/C29H30Cl2F6N4O6S2/c1-3-38-24-16-20(30)18(28(32,33)34)14-22(24)40(10-6-12-48(42,43)44)26(38)8-5-9-27-39(4-2)25-17-21(31)19(29(35,36)37)15-23(25)41(27)11-7-13-49(45,46)47/h5,8-9,14-17H,3-4,6-7,10-13H2,1-2H3,(H-,42,43,44,45,46,47)/p+1

smiles:
CCn1c(=CC=Cc2[n+](CC)c3cc(Cl)c(cc3n2CCCS(=O)(=O)[O-])C(F)(F)F)n(CCCS(=O)(=O)O)c2cc(c(Cl)cc12)C(F)(F)F


name: 5-(4-(Diethylamino)phenyl)-5-ethylbarbituric acid
cas: 3038-25-3
chemspiderid: 68906
dtxsid: DTXSID80184458
formula: C16H21N3O3
inchikey: CKCSVBLIFTUCFH-UHFFFAOYSA-N
norman_susdat_id: NS00028915
pubchem_cid: 76434
smiles: CCN(CC)c1ccc(cc1)C1(CC)C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C16H21N3O3/c1-4-16(13(20)17-15(22)18-14(16)21)11-7-9-12(10-8-11)19(5-2)6-3/h7-10H,4-6H2,1-3H3,(H2,17,18,20,21,22)


name: Ammonium bis(N-ethyl-2-perfluorooctylsulfonaminoethyl)phosphate
cas: 30381-98-7
dtxsid: DTXSID90880252
formula: C24H22F34N3O8PS2
inchikey: QHCFFPIOMPVULC-UHFFFAOYSA-N
norman_susdat_id: NS00111956
inchi:
InChI=1S/C24H19F34N2O8PS2.H3N/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54;/h3-8H2,1-2H3,(H,61,62);1H3

smiles:
[H][N+]([H])([H])[H].CCN(CCOP([O-])(=O)OCCN(CC)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)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: (Perfluorodecyl)ethylene
cas: 30389-25-4
chemspiderid: 108580
dtxsid: DTXSID60184471
formula: C12H3F21
inchikey: UCHSAVGOZUCXHC-UHFFFAOYSA-N
norman_susdat_id: NS00011087
pubchem_cid: 121692
smiles: C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=C
inchi:
InChI=1S/C12H3F21/c1-2-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2


name: Bitolterol
cas: 30392-40-6
chebiid: CHEBI:59189
dtxsid: DTXSID1022683
formula: C28H31NO5
inchikey: FZGVEKPRDOIXJY-HSZRJFAPSA-N
norman_susdat_id: NS00068410
pubchem_cid: 45266841
smiles: Cc1ccc(C(=O)Oc2ccc([C@H](O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1
inchi:
InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3/t23-/m1/s1


name: (tert-butyl)[ß-hydroxy-3,4-bis(p-toluoyloxy)phenethyl]ammonium methanesulphonate
cas: 30392-41-7
chebiid: CHEBI:3134
dtxsid: DTXSID80952735
formula: C28H31NO5
inchikey: HODFCFXCOMKRCG-UHFFFAOYSA-N
norman_susdat_id: NS00051110
pubchem_cid: 35330
smiles: O=C(OC1=CC=C(C=C1OC(=O)C2=CC=C(C=C2)C)C(O)C[NH2+]C(C)(C)C)C3=CC=C(C=C3)C.O=S(=O)([O-])C
inchi:
InChI=1/C28H31NO5.CH4O3S/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21;1-5(2,3)4/h6-16,23,29-30H,17H2,1-5H3;1H3,(H,2,3,4)


cas: 30396-50-0
dtxsid: DTXSID0094572
norman_susdat_id: NS00113624
name:
2-Propenenitrile, polymer with ethene, ethenylbenzene, 1-propene and 3a,4,7,7a-tetrahydro-4,7-methano-1H-indene


name: 2,7-Acetylaminofluorene
cas: 304-28-9
chemspiderid: 8986
dtxsid: DTXSID9021479
formula: C17H16N2O2
inchikey: XBZBRCVCSVLJJZ-UHFFFAOYSA-N
norman_susdat_id: NS00028924
pubchem_cid: 9352
smiles: CC(=O)Nc1cc2c(cc1)c1c(C2)cc(NC(=O)C)cc1
inchi:
InChI=1S/C17H16N2O2/c1-10(20)18-14-3-5-16-12(8-14)7-13-9-15(19-11(2)21)4-6-17(13)16/h3-6,8-9H,7H2,1-2H3,(H,18,20)(H,19,21)


cas: 304012-61-1
dtxsid: DTXSID50882752
norman_susdat_id: NS00110640
name:
2-Propenoic acid, 2-methyl-, polymers with 2-ethylhexyl methacrylate,N-(hydroxymethyl)-2-propenamide and 2-[methyl[(.gamma.-.omega.-perfluoro- C8-14-alkyl)sulfonyl]amino]ethyl acrylate


name: nybomycin
cas: 30408-30-1
chemspiderid: 147953
formula: C16H14N2O4
inchikey: HKMUGCUFXWTNSP-UHFFFAOYSA-N
norman_susdat_id: NS00004319
pubchem_cid: 169159
smiles: Cc1cc(=O)n2COc3c2c1cc1c(CO)cc(=O)n(C)c31
inchi:
InChI=1S/C16H14N2O4/c1-8-3-13(21)18-7-22-16-14-11(5-10(8)15(16)18)9(6-19)4-12(20)17(14)2/h3-5,19H,6-7H2,1-2H3


name: Trioctadecylaluminium
cas: 3041-23-4
formula: C54H111Al
inchikey: FPTXIDMSUMCELA-UHFFFAOYSA-N
norman_susdat_id: NS00082438
smiles: CCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C18H37.Al/c3*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;/h3*1,3-18H2,2H3;/rC54H111Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3


name: 4-(butylamino)-2-(4-methoxyphenyl)-1-benzopyrylium tetrafluoroborate
cas: 30411-66-6
dtxsid: DTXSID70952749
formula: C20H22NO2
inchikey: ZNKAEIIAZYIKCY-UHFFFAOYSA-N
norman_susdat_id: NS00051111
pubchem_cid: NA
smiles: F[B-](F)(F)F.O(C=1C=CC(=CC1)C2=[O+]C=3C=CC=CC3C(=C2)NCCCC)C
inchi:
InChI=1/C20H22NO2.BF4/c1-3-4-13-21-18-14-20(15-9-11-16(22-2)12-10-15)23-19-8-6-5-7-17(18)19;2-1(3,4)5/h5-12,14,21H,3-4,13H2,1-2H3;/q+1;-1


name: 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2-(2-butoxyethyl)-2,3-dihydro-3-imino-
cas: 30415-45-3
chemspiderid: 108590
dtxsid: DTXSID0067557
formula: C22H22N4O4
inchikey: UECNRPKDQBDEFZ-UHFFFAOYSA-N
norman_susdat_id: NS00022020
pubchem_cid: 121702
smiles: CCCCOCCn1c(=N)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C22H22N4O4/c1-2-3-9-30-10-8-26-21(25)15-16(22(26)29)18(24)14-13(17(15)23)19(27)11-6-4-5-7-12(11)20(14)28/h4-7,25H,2-3,8-10,23-24H2,1H3/b25-21+


name: Ammonium 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulphate
cas: 30416-77-4
formula: C23H40O8S
inchikey: XMRUJYGYYCLRGJ-UHFFFAOYSA-N
norman_susdat_id: NS00050352
pubchem_cid: 24779
smiles: O=S(=O)([O-])OCCOCCOCCOCCOC1=CC=C(C=C1)CCCCCCCCC.[NH4+]
inchi:
InChI=1/C23H40O8S.H3N/c1-2-3-4-5-6-7-8-9-22-10-12-23(13-11-22)30-20-18-28-16-14-27-15-17-29-19-21-31-32(24,25)26;/h10-13H,2-9,14-21H2,1H3,(H,24,25,26);1H3


name: Tretoquinol
cas: 30418-38-3
chebiid: CHEBI:135461
dtxsid: DTXSID7023695
formula: C19H23NO5
inchikey: RGVPOXRFEPSFGH-AWEZNQCLSA-N
norman_susdat_id: NS00096953
smiles: COC1=CC(=CC(=C1OC)OC)C[C@H]2C3=CC(=C(C=C3CCN2)O)O
inchi:
InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3/t14-/m0/s1


cas: 30421-59-1
dtxsid: DTXSID50882676
norman_susdat_id: NS00110633
name:
Copolymer of 1,1-difluoroethylene-perfluoroethylene-chlorotrifluoroethylene (a number-average molecular weight is not less than 1,000 and polymer is insoluble in water, fat-soluble solvent, usual solvent, acid and alkali)


name: Bis[N-(2-mercaptophenyl)benzamidato-N,S]zinc
cas: 30429-79-9
formula: C26H20N2O2S2Zn
inchikey: QJBCYBMEIACBOY-UHFFFAOYSA-L
norman_susdat_id: NS00084131
smiles: NC(=O)c1ccccc1c2ccccc2S[Zn]Sc3ccccc3c4ccccc4C(=O)N
inchi:
InChI=1/2C13H11NOS.Zn/c2*14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12(10)16;/h2*1-8,16H,(H2,14,15);/q;;+2/p-2/rC26H20N2O2S2Zn/c27-25(29)21-13-3-1-9-17(21)19-11-5-7-15-23(19)31-33-32-24-16-8-6-12-20(24)18-10-2-4-14-22(18)26(28)30/h1-16H,(H2,27,29)(H2,28,30)


name: Ethanedioic acid, bis[3,4,6-trichloro-2-[(pentyloxy)carbonyl]phenyl] ester
cas: 30431-54-0
chemspiderid: 84082
dtxsid: DTXSID0067559
formula: C26H24Cl6O8
inchikey: TZZLVFUOAYMTHA-UHFFFAOYSA-N
norman_susdat_id: NS00004599
pubchem_cid: 93137
smiles: CCCCCOC(=O)c1c(Cl)c(Cl)cc(Cl)c1OC(=O)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)OCCCCC
inchi:
InChI=1S/C26H24Cl6O8/c1-3-5-7-9-37-23(33)17-19(31)13(27)11-15(29)21(17)39-25(35)26(36)40-22-16(30)12-14(28)20(32)18(22)24(34)38-10-8-6-4-2/h11-12H,3-10H2,1-2H3


name: 11ß,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
cas: 3044-42-6
dtxsid: DTXSID20952779
formula: C23H28O5
inchikey: ABGUZAVIFZZDDZ-MHYQPVDNSA-N
norman_susdat_id: NS00048500
pubchem_cid: 102365
smiles: O=C1C=CC2(C(=C1)CCC3C4CC=C(C(=O)COC(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C23H28O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7-10,16-17,19,21,26H,4-6,11-12H2,1-3H3


name: Phosphinetriyltris[N,N-dimethylaniline]
cas: 30442-12-7
formula: C24H30N3P
inchikey: QSVXMOKGHFNTEI-UHFFFAOYSA-N
norman_susdat_id: NS00050409
pubchem_cid: 10111046
smiles: C=1C=CC(=C(C1)N(C)C)P(C=2C=CC=CC2N(C)C)C=3C=CC=CC3N(C)C
inchi:
InChI=1/C24H30N3P/c1-25(2)19-13-7-10-16-22(19)28(23-17-11-8-14-20(23)26(3)4)24-18-12-9-15-21(24)27(5)6/h7-18H,1-6H3


name: N'-(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)-2,2,3,3,4,4,4-heptafluorobutanehydrazide
cas: 304435-60-7
dtxsid: DTXSID20896260
formula: C15H14F7N3O
inchikey: URBCHCXZUQVVLP-UHFFFAOYSA-N
norman_susdat_id: NS00109748
smiles: CC1(C)Cc2ccccc2C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)=N1
inchi:
InChI=1S/C15H14F7N3O/c1-12(2)7-8-5-3-4-6-9(8)10(23-12)24-25-11(26)13(16,17)14(18,19)15(20,21)22/h3-6H,7H2,1-2H3,(H,23,24)(H,25,26)


cas: 304435-61-8
dtxsid: DTXSID60896284
formula: C17H18F7N3O3
inchikey: AFOVRKBVJMNTSC-UHFFFAOYSA-N
norman_susdat_id: NS00111113
smiles: COc1cc2CC(C)(C)N=C(NNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2cc1OC
name:
N'-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-2,2,3,3,4,4,4-heptafluorobutanehydrazide

inchi:
InChI=1S/C17H18F7N3O3/c1-14(2)7-8-5-10(29-3)11(30-4)6-9(8)12(25-14)26-27-13(28)15(18,19)16(20,21)17(22,23)24/h5-6H,7H2,1-4H3,(H,25,26)(H,27,28)


name: p-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridyl)azo]-N-(2-ethylhexyl)benzamide
cas: 30449-81-1
dtxsid: DTXSID40885479
formula: C23H29N5O3
inchikey: OLNYUSPPYWNQEV-UHFFFAOYSA-N
norman_susdat_id: NS00050766
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)NCC(CC)CCCC)C1C)C
inchi:
InChI=1/C23H29N5O3/c1-5-7-8-16(6-2)14-25-21(29)17-9-11-18(12-10-17)26-27-20-15(3)19(13-24)22(30)28(4)23(20)31/h9-12,16,31H,5-8,14H2,1-4H3,(H,25,29)


name: Rhodojaponin IV
cas: 30460-34-5
chebiid: CHEBI:8833
chemspiderid: 442083
formula: C24H38O8
inchikey: CLACQPZPBZLUQK-ZQSAPXNLSA-N
norman_susdat_id: NS00093920
pubchem_cid: 390620
smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@@]([C@@H]([C@H]2OC(=O)C)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O


name: 4'-Hydroxy[1,1'-biphenyl]-4-yl 2-[perfluoro-4-morpholinylmethyl]-perfluoropropanoate
cas: 304658-31-9
dtxsid: DTXSID00893378
formula: C20H9F14NO4
inchikey: DJAOEKZXQIPPOC-UHFFFAOYSA-N
norman_susdat_id: NS00108941
smiles: OC1=CC=C(C=C1)C1=CC=C(OC(=O)C(F)(C(F)(F)F)C(F)(F)N2C(F)(F)C(F)(F)OC(F)(F)C2(F)F)C=C1
inchi:
InChI=1/C20H9F14NO4/c21-14(15(22,23)24,13(37)38-12-7-3-10(4-8-12)9-1-5-11(36)6-2-9)16(25,26)35-17(27,28)19(31,32)39-20(33,34)18(35,29)30/h1-8,36H


name: Ethylmagnesium(1+) tetraethylaluminate(1-)
cas: 30472-11-8
formula: C8H20Al.C2H5Mg
inchikey: FRBGEGYWXCSQRM-UHFFFAOYSA-N
norman_susdat_id: NS00084365
smiles: CC[Mg+].CC[Al-](CC)(CC)CC
inchi:
InChI=1/5C2H5.Al.Mg/c5*1-2;;/h5*1H2,2H3;;/q;;;;;-1;+1/rC8H20Al.C2H5Mg/c1-5-9(6-2,7-3)8-4;1-2-3/h5-8H2,1-4H3;2H2,1H3/q-1;+1


name: Disodium 1-(carboxymethyl)-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium hydroxide
cas: 30473-39-3
dtxsid: DTXSID90952802
formula: C24H47N2O3
inchikey: NEQKVTLHBFRMKO-UHFFFAOYSA-N
norman_susdat_id: NS00051555
pubchem_cid: 83073
smiles: [Na+].[Na+].[OH-].O=C(O)C[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)CCO
inchi:
InChI=1/C24H46N2O3.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29;;;/h27H,2-22H2,1H3;;;1H2/q;2*+1;


name: Flunarizine hydrochloride
cas: 30484-77-6
chebiid: CHEBI:31621
dtxsid: DTXSID80184554
formula: C26H28Cl2F2N2
inchikey: RXKMOPXNWTYEHI-RDRKJGRWSA-N
norman_susdat_id: NS00076409
smiles: Cl.Cl.FC1=CC=C(C=C1)C(N1CCN(CC=CC2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
inchi:
InChI=1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H/b7-4+;;


name: Tanaproget
cas: 304853-42-7
dtxsid: DTXSID00184556
formula: C16H15N3OS
inchikey: PYVFWTPEBMRKSR-UHFFFAOYSA-N
norman_susdat_id: NS00070190
pubchem_cid: 4369524
smiles: Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)OC(=S)N2
inchi:
InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)


name: Gw572738x
cas: 304884-83-1
chebiid: CHEBI:40300
formula: C16H13FN2OS
inchikey: YVYPYORTKAIUGJ-UHFFFAOYSA-N
norman_susdat_id: NS00068253
pubchem_cid: 766948
smiles: N#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2
inchi:
InChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)


name: C.I. Pigment Red 178
cas: 3049-71-6
chemspiderid: 56256
dtxsid: DTXSID1051983
formula: C48H26N6O4
inchikey: PXUJYZVHENREBB-UHFFFAOYSA-N
norman_susdat_id: NS00005075
pubchem_cid: 62476
inchi:
InChI=1S/C48H26N6O4/c55-45-37-23-19-33-35-21-25-39-44-40(48(58)54(47(39)57)32-17-13-30(14-18-32)52-50-28-9-5-2-6-10-28)26-22-36(42(35)44)34-20-24-38(43(37)41(33)34)46(56)53(45)31-15-11-29(12-16-31)51-49-27-7-3-1-4-8-27/h1-26H

smiles:
O=c1n(-c2ccc(cc2)N=Nc2ccccc2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(-c1ccc(cc1)N=Nc1ccccc1)c5=O


name: Bis(2-phenylvinyl)phenol
cas: 30498-86-3
chemspiderid: 4896146
dtxsid: DTXSID10184567
formula: C22H18O1
inchikey: QFJLGRCDVFOSJG-YXLFCKQPSA-N
norman_susdat_id: NS00028932
pubchem_cid: 6365359
smiles: Oc1c(/C=C/c2ccccc2)c(/C=C/c2ccccc2)ccc1
inchi:
InChI=1S/C22H18O/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17,23H/b16-14+,17-15+


name: 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with (chloromethyl)oxirane
cas: 30499-70-8
chemspiderid: 93067
formula: C15H26O6
inchikey: QECCQGLIYMMHCR-UHFFFAOYSA-N
norman_susdat_id: NS00002736
pubchem_cid: 103015
smiles: CCC(COCC1CO1)(COCC1CO1)COCC1CO1
inchi:
InChI=1S/C15H26O6/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14/h12-14H,2-11H2,1H3


name: Chlorambucil
cas: 305-03-3
chebiid: CHEBI:28830
chemspiderid: 2607
dtxsid: DTXSID7020263
formula: C14H19Cl2N1O2
inchikey: JCKYGMPEJWAADB-UHFFFAOYSA-N
norman_susdat_id: NS00009960
pubchem_cid: 2708
smiles: OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl
inchi:
InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19)


name: Iproniazid phosphate
cas: 305-33-9
formula: C9H13N3O.H3O4P
inchikey: YPDVTKJXVHYWFY-UHFFFAOYSA-N
norman_susdat_id: NS00079254
smiles: O=C(NNC(C)C)c1ccncc1.OP(O)(=O)O
inchi:
InChI=1/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)


name: L-Histidine, N-.beta.-alanyl-
cas: 305-84-0
chemspiderid: 9001
dtxsid: DTXSID80879594
formula: C9H14N4O3
inchikey: CQOVPNPJLQNMDC-UHFFFAOYSA-N
norman_susdat_id: NS00014799
pubchem_cid: NA
smiles: C1=C(N=CN1)CC(C(=O)O)NC(=O)CCN
inchi:
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)


name: Anthiolimine
cas: 305-97-5
formula: C4H6O4S.2Li.1/3Sb
inchikey: YECBTZNXNRHKJD-UHFFFAOYSA-E
norman_susdat_id: NS00079433
inchi:
InChI=1/3C4H6O4S.6Li.Sb/c3*5-3(6)1-2(9)4(7)8;;;;;;;/h3*2,9H,1H2,(H,5,6)(H,7,8);;;;;;;/q;;;6*+1;+3/p-9/rC12H15O12S3Sb.6Li/c13-7(14)1-4(10(19)20)25-28(26-5(11(21)22)2-8(15)16)27-6(12(23)24)3-9(17)18;;;;;;/h4-6H,1-3H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;;;/q;6*+1/p-6

smiles:
[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[O-]C(=O)CC(S[Sb](SC(CC(=O)[O-])C(=O)[O-])SC(CC(=O)[O-])C(=O)[O-])C(=O)[O-]


name: Phenol, 4-​nonyl-​, phosphite (3:1)
cas: 3050-88-2
chemspiderid: 68924
dtxsid: DTXSID60872866
formula: C45H69O3P1
inchikey: MGMXGCZJYUCMGY-UHFFFAOYSA-N
norman_susdat_id: NS00002998
pubchem_cid: 76452
smiles: CCCCCCCCCc1ccc(OP(Oc2ccc(CCCCCCCCC)cc2)Oc2ccc(CCCCCCCCC)cc2)cc1
inchi:
InChI=1S/C45H69O3P/c1-4-7-10-13-16-19-22-25-40-28-34-43(35-29-40)46-49(47-44-36-30-41(31-37-44)26-23-20-17-14-11-8-5-2)48-45-38-32-42(33-39-45)27-24-21-18-15-12-9-6-3/h28-39H,4-27H2,1-3H3


name: Isononyl stearate
cas: 30500-51-7
chemspiderid: 108606
dtxsid: DTXSID20184573
formula: C27H54O2
inchikey: XUVVLJKRLAXOKZ-UHFFFAOYSA-N
norman_susdat_id: NS00022022
pubchem_cid: 121722
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27(28)29-25-22-19-18-20-23-26(2)3/h26H,4-25H2,1-3H3


name: Ammonium 5-(2,4,6-trioxoperhydropyrimidin-5-ylideneamino)barbiturate
cas: 3051-09-0
dtxsid: DTXSID40889371
formula: C8H5N5O6
inchikey: CKUIXUMHBVWXEB-UHFFFAOYSA-N
norman_susdat_id: NS00047852
pubchem_cid: 427644
smiles: O=C1NC(=O)C(=NC2C(=O)N=C([O-])NC2=O)C(=O)N1.[NH4+]
inchi:
InChI=1/C8H5N5O6.H3N/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17;/h1H,(H2,10,11,14,15,18)(H2,12,13,16,17,19);1H3


name: Uridylyl(5'<U+2192>3')adenosine
cas: 3051-84-1
formula: C19H24N7O12P
inchikey: RNNPIPQLZRGXIG-UHFFFAOYSA-N
norman_susdat_id: NS00047172
pubchem_cid: 98241
smiles: O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=NC=5C(=NC=NC54)N)C(O)C2O
inchi:
InChI=1/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)18-13(31)14(7(3-27)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)


name: Methyl 4,6-O-benzylidene-2,3-di(O-methyl)-a-D-glucopyranoside
cas: 3051-89-6
dtxsid: DTXSID10952824
formula: C16H22O6
inchikey: ZOYHXXDGSUTGIY-UHFFFAOYSA-N
norman_susdat_id: NS00048501
pubchem_cid: 302240
smiles: O(C)C1OC2COC(OC2C(OC)C1OC)C=3C=CC=CC3
inchi:
InChI=1/C16H22O6/c1-17-13-12-11(21-16(19-3)14(13)18-2)9-20-15(22-12)10-7-5-4-6-8-10/h4-8,11-16H,9H2,1-3H3


name: Zidovudine
cas: 30516-87-1
chebiid: CHEBI:10110
chemspiderid: 32555
dtxsid: DTXSID8020127
formula: C10H13N5O4
inchikey: HBOMLICNUCNMMY-XLPZGREQSA-N
norman_susdat_id: NS00000600
pubchem_cid: 35370
smiles: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
inchi:
InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1


name: GL-1001
cas: 305335-31-3
chebiid: CHEBI:166834
dtxsid: DTXSID70184609
formula: C19H23Cl2N3O4
inchikey: NTCCRGGIJNDEAB-IRXDYDNUSA-N
norman_susdat_id: NS00068647
smiles: CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(=O)O)C(=O)O
inchi:
InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1


name: GI-181771X
cas: 305366-98-7
dtxsid: DTXSID60184613
formula: C34H31N5O6
inchikey: CABBMMXFOOZVMS-PMERELPUSA-N
norman_susdat_id: NS00071067
pubchem_cid: 51353551
smiles: CC(C)N(C(=O)CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1
inchi:
InChI=1S/C34H31N5O6/c1-22(2)38(25-14-5-3-6-15-25)29(40)21-37-27-18-9-10-19-28(27)39(26-16-7-4-8-17-26)32(42)30(31(37)41)36-34(45)35-24-13-11-12-23(20-24)33(43)44/h3-20,22,30H,21H2,1-2H3,(H,43,44)(H2,35,36,45)/t30-/m0/s1


name: S-acetylglutathione
cas: 3054-47-5
dtxsid: DTXSID60952839
formula: C12H19N3O7S
inchikey: FVRWSIPJNWXCEO-UHFFFAOYSA-N
norman_susdat_id: NS00047864
pubchem_cid: 102929
smiles: O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSC(=O)C
inchi:
InChI=1/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)


name: Etofenamate
cas: 30544-47-9
chebiid: CHEBI:94731
chemspiderid: 32560
dtxsid: DTXSID2045448
formula: C18H18F3N1O4
inchikey: XILVEPYQJIOVNB-UHFFFAOYSA-N
norman_susdat_id: NS00009824
pubchem_cid: 35375
smiles: OCCOCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
inchi:
InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2


name: Clanobutin
cas: 30544-61-7
chebiid: CHEBI:135471
chemspiderid: 32563
dtxsid: DTXSID10184628
formula: C18H18Cl1N1O4
inchikey: VUPBWNXFSDRWJE-UHFFFAOYSA-N
norman_susdat_id: NS00015387
pubchem_cid: 35378
smiles: COC1=CC=C(C=C1)N(CCCC(=O)O)C(=O)C2=CC=C(C=C2)Cl
inchi:
InChI=1S/C18H18ClNO4/c1-24-16-10-8-15(9-11-16)20(12-2-3-17(21)22)18(23)13-4-6-14(19)7-5-13/h4-11H,2-3,12H2,1H3,(H,21,22)


name: Benzene-1,2,3,4,5,6-hexakis(3-oxypropanenitrile)
cas: 3055-84-3
dtxsid: DTXSID60184638
formula: C24H30N6O6
inchikey: LMHMIJYIOJVNMJ-UHFFFAOYSA-N
norman_susdat_id: NS00048503
pubchem_cid: 76455
smiles: N#CCCOC1C(OCCC#N)C(OCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N
inchi:
InChI=1/C24H30N6O6/c25-7-1-13-31-19-20(32-14-2-8-26)22(34-16-4-10-28)24(36-18-6-12-30)23(35-17-5-11-29)21(19)33-15-3-9-27/h19-24H,1-6,13-18H2


name: Pentaethylene glycol monododecyl ether
cas: 3055-95-6
chebiid: CHEBI:91323
chemspiderid: 17268
dtxsid: DTXSID1058632
formula: C22H46O6
inchikey: LAPRIVJANDLWOK-UHFFFAOYSA-N
norman_susdat_id: NS00013818
pubchem_cid: 18281
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3


name: Hexaethylene glycol monododecyl ether
cas: 3055-96-7
chemspiderid: 17269
dtxsid: DTXSID6058633
formula: C24H50O7
inchikey: OJCFEGKCRWEVSN-UHFFFAOYSA-N
norman_susdat_id: NS00013819
pubchem_cid: 18282
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C24H50O7/c1-2-3-4-5-6-7-8-9-10-11-13-26-15-17-28-19-21-30-23-24-31-22-20-29-18-16-27-14-12-25/h25H,2-24H2,1H3


name: Heptaethylene glycol monododecyl ether
cas: 3055-97-8
chemspiderid: 68931
dtxsid: DTXSID8062816
formula: C26H54O8
inchikey: DWHIUNMOTRUVPG-UHFFFAOYSA-N
norman_susdat_id: NS00013820
pubchem_cid: 76459
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3


name: Dodecyloctaethyleneglycol monoether
cas: 3055-98-9
chebiid: CHEBI:41527
chemspiderid: 110452
dtxsid: DTXSID30184640
formula: C28H58O9
inchikey: YYELLDKEOUKVIQ-UHFFFAOYSA-N
norman_susdat_id: NS00013821
pubchem_cid: 123921
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3


name: Polyoxyethylene (9) lauryl ether
cas: 3055-99-0
chebiid: CHEBI:46859
chemspiderid: 570993
dtxsid: DTXSID5039721
formula: C30H62O10
inchikey: ONJQDTZCDSESIW-UHFFFAOYSA-N
norman_susdat_id: NS00013822
pubchem_cid: 656641
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3


name: Laureth-12
cas: 3056-00-6
chemspiderid: 68932
dtxsid: DTXSID50184647
formula: C36H74O13
inchikey: WMPGRAUYWYBJKX-UHFFFAOYSA-N
norman_susdat_id: NS00013824
pubchem_cid: 76460
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C36H74O13/c1-2-3-4-5-6-7-8-9-10-11-13-38-15-17-40-19-21-42-23-25-44-27-29-46-31-33-48-35-36-49-34-32-47-30-28-45-26-24-43-22-20-41-18-16-39-14-12-37/h37H,2-36H2,1H3


cas: 3056-13-1
chemspiderid: 2764970
formula: C26H26N2O7
inchikey: PUSZQUJVSQNJEI-UHFFFAOYSA-N
norman_susdat_id: NS00003600
pubchem_cid: 3525910
smiles: Cc1ccc(cc1)C(=O)OCC1OC(CC1OC(=O)c1ccc(C)cc1)n1cc(C)c(=O)[nH]c1=O
name:
[(2S,3R,5S)-3-[(4-methylbenzoyl)oxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl 4-methylbenzoate

inchi:
InChI=1S/C26H26N2O7/c1-15-4-8-18(9-5-15)24(30)33-14-21-20(35-25(31)19-10-6-16(2)7-11-19)12-22(34-21)28-13-17(3)23(29)27-26(28)32/h4-11,13,20-22H,12,14H2,1-3H3,(H,27,29,32)


name: Stavudine
cas: 3056-17-5
chebiid: CHEBI:63581
chemspiderid: 17270
dtxsid: DTXSID1023819
formula: C10H12N2O4
inchikey: XNKLLVCARDGLGL-JGVFFNPUSA-N
norman_susdat_id: NS00002353
pubchem_cid: 18283
smiles: Cc1cn([C@@H]2O[C@H](CO)C=C2)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1


name: C.I. Basic Orange 21
cas: 3056-93-7
chemspiderid: 4938525
dtxsid: DTXSID6051984
formula: C22H23N2
inchikey: ZOMLUNRKXJYKPD-UHFFFAOYSA-N
norman_susdat_id: NS00021112
pubchem_cid: NA
smiles: [Cl-].Cc1c(C=CC2=[N+](C)c3c(cccc3)C2(C)C)c2c([nH]1)cccc2
inchi:
InChI=1S/C22H22N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14H,1-4H3/p+1


name: CHEMBL187017
cas: 30560-61-3
chemspiderid: 2029127
dtxsid: DTXSID60372679
formula: C22H28O2
inchikey: BWCAVNWKMVHLFW-UHFFFAOYSA-N
norman_susdat_id: NS00016597
pubchem_cid: 2747679
smiles: CC1=CC(=CC(=C1O)C)C2(CCCCC2)C3=CC(=C(C(=C3)C)O)C
inchi:
InChI=1S/C22H28O2/c1-14-10-18(11-15(2)20(14)23)22(8-6-5-7-9-22)19-12-16(3)21(24)17(4)13-19/h10-13,23-24H,5-9H2,1-4H3


name: Geldanamycin
cas: 30562-34-6
chebiid: CHEBI:5292
chemspiderid: 10272739
dtxsid: DTXSID7042691
formula: C29H40N2O9
inchikey: QTQAWLPCGQOSGP-KSRBKZBZSA-N
norman_susdat_id: NS00011696
pubchem_cid: 5288382
inchi:
InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1

smiles:
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)C)C)O)OC


name: 5-((Bis(benzyl)amino)acetyl)salicylamide
cas: 30566-92-8
chemspiderid: 108610
dtxsid: DTXSID40184651
formula: C23H22N2O3
inchikey: DNLPQXRWAKCKPX-UHFFFAOYSA-N
norman_susdat_id: NS00009583
pubchem_cid: 28467336
smiles: NC(=O)c1cc(ccc1O)C(=O)CN(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)


name: 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanenitrile
cas: 3058-04-6
chemspiderid: 68937
dtxsid: DTXSID3062817
formula: C13H18N2O4
inchikey: BNAMIPLIODPZLE-UHFFFAOYSA-N
norman_susdat_id: NS00028942
pubchem_cid: 76465
smiles: N#CCCC1OCC2(CO1)COC(CCC#N)OC2
inchi:
InChI=1S/C13H18N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-4,7-10H2/t11-,12-,13-/m1/s1


name: 2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid
cas: 3058-05-7
dtxsid: DTXSID60184658
formula: C13H20O8
inchikey: PVCPWBCCWVKROB-UHFFFAOYSA-N
norman_susdat_id: NS00047894
pubchem_cid: 76466
smiles: O=C(O)CCC1OCC2(CO1)COC(OC2)CCC(=O)O
inchi:
InChI=1/C13H20O8/c14-9(15)1-3-11-18-5-13(6-19-11)7-20-12(21-8-13)4-2-10(16)17/h11-12H,1-8H2,(H,14,15)(H,16,17)


name: Sodium 4-hydroxy-3-[[3-(phenylsulphamoyl)-p-tolyl]azo]naphthalenesulphonate
cas: 3058-98-8
dtxsid: DTXSID90883728
formula: C23H19N3O6S2
inchikey: KKJOSHGDFRDDGD-UHFFFAOYSA-M
norman_susdat_id: NS00047219
pubchem_cid: 160668
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3)C)=C(O)C=4C=CC=CC41
inchi:
InChI=1/C23H19N3O6S2.Na/c1-15-11-12-17(13-21(15)33(28,29)26-16-7-3-2-4-8-16)24-25-20-14-22(34(30,31)32)18-9-5-6-10-19(18)23(20)27;/h2-14,26-27H,1H3,(H,30,31,32);/q;+1/p-1


name: Piperazine 2-oxobornane-10-sulphonate
cas: 30583-08-5
formula: C10H16O4S.xC4H10N2
inchikey: JSAZTUYNZHDFNH-UHFFFAOYSA-N
norman_susdat_id: NS00084369
smiles: CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.C3CNCCN3
inchi:
InChI=1/C10H16O4S.C4H10N2/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-2-6-4-3-5-1/h7H,3-6H2,1-2H3,(H,12,13,14);5-6H,1-4H2


name: Sagopilone
cas: 305841-29-6
dtxsid: DTXSID30952866
formula: C30H41NO6S
inchikey: BFZKMNSQCNVFGM-UCEYFQQTSA-N
norman_susdat_id: NS00069677
pubchem_cid: 11284169
smiles: C=CC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](c2ccc3sc(C)nc3c2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O
inchi:
InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1


name: N,N'-bis(Perfluorooctanoyl)-1,2-cyclohexanediamine
cas: 305848-92-4
dtxsid: DTXSID20897474
formula: C22H16F30N2O2
inchikey: XXSCNRBBJCKWNZ-UHFFFAOYSA-N
norman_susdat_id: NS00109814
inchi:
InChI=1/C22H16F30N2O2/c23-9(24,11(27,28)13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)49)7(55)53-5-3-1-2-4-6(5)54-8(56)10(25,26)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(50,51)52/h5-8,53-56H,1-4H2

smiles:
OC(NC1CCCCC1NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl phenylcarbamate
cas: 305849-13-2
dtxsid: DTXSID80896185
formula: C19H10F21NO2
inchikey: BVOVIJBDEFICAD-UHFFFAOYSA-N
norman_susdat_id: NS00111796
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)Nc1ccccc1
inchi:
InChI=1S/C19H10F21NO2/c20-10(21,6-7-43-9(42)41-8-4-2-1-3-5-8)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)18(36,37)19(38,39)40/h1-5H,6-7H2,(H,41,42)


name: 2-(Perfluorodecyl)ethyl N-1-naphthalenylcarbamate
cas: 305849-27-8
dtxsid: DTXSID70897469
formula: C23H12F21NO2
inchikey: LRTBLMPVLVRYHX-UHFFFAOYSA-N
norman_susdat_id: NS00111527
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)NC1=CC=CC2=CC=CC=C12
inchi:
InChI=1S/C23H12F21NO2/c24-14(25,8-9-47-13(46)45-12-7-3-5-10-4-1-2-6-11(10)12)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h1-7H,8-9H2,(H,45,46)


name: Sodium [[4-[(4-amino-m-tolyl)(p-anilinophenyl)hydroxymethyl]phenyl]amino]benzenesulphonate
cas: 30586-13-1
dtxsid: DTXSID90952867
formula: C32H29N3O4S
inchikey: SGEBIVXBQPYFGF-UHFFFAOYSA-M
norman_susdat_id: NS00050769
pubchem_cid: 71774342
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1NC2=CC=C(C=C2)C(O)(C3=CC=C(C=C3)NC=4C=CC=CC4)C5=CC=C(N)C(=C5)C
inchi:
InChI=1/C32H29N3O4S.Na/c1-22-21-25(15-20-29(22)33)32(36,23-11-16-27(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)40(37,38)39;/h2-21,34-36H,33H2,1H3,(H,37,38,39);/q;+1/p-1


name: Disodium (2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis(benzenesulphonate)
cas: 30587-99-6
dtxsid: DTXSID90184661
formula: C15H12N2O7S2
inchikey: LCUWJGNLLCMGON-UHFFFAOYSA-L
norman_susdat_id: NS00050825
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1NC(C2=CC=CC=C2S(=O)(=O)[O-])=C(N1)C=3C=CC=CC3S(=O)(=O)[O-]
inchi:
InChI=1/C15H12N2O7S2.2Na/c18-15-16-13(9-5-1-3-7-11(9)25(19,20)21)14(17-15)10-6-2-4-8-12(10)26(22,23)24;;/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: [4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid
cas: 30591-62-9
formula: C6H12O9S
inchikey: LOTQRUGOUKUSEY-DGPNFKTASA-N
norman_susdat_id: NS00070020
pubchem_cid: 446807
smiles: O=S(=O)(O)O[C@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1


name: Tributyltin fluoride
cas: 30-59-3
formula: C12H27FSn
inchikey: DFNPRTKVCGZMMC-UHFFFAOYSA-M
norman_susdat_id: NS00082146
smiles: [F-].CCCC[Sn+](CCCC)CCCC
inchi:
InChI=1/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.FH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1


name: Hyoscyamine hydrobromide
cas: 306-03-6
formula: C17H23NO3.BrH
inchikey: VZDNSFSBCMCXSK-PGQIENJJSA-N
norman_susdat_id: NS00079434
smiles: Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3
inchi:
InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H


name: N'a-histidylhistidine
cas: 306-14-9
formula: C12H16N6O3
inchikey: SGCGMORCWLEJNZ-UHFFFAOYSA-N
norman_susdat_id: NS00041806
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)CC=1N=CNC1)CC=2N=CNC2
inchi:
InChI=1/C12H16N6O3/c13-9(1-7-3-14-5-16-7)11(19)18-10(12(20)21)2-8-4-15-6-17-8/h3-6,9-10H,1-2,13H2,(H,14,16)(H,15,17)(H,18,19)(H,20,21)


name: Hexacarbacholine Bromide
cas: 306-41-2
chebiid: CHEBI:135582
chemspiderid: 64572
dtxsid: DTXSID70878374
formula: C18H39N4O4
inchikey: MBWXZXUOKTXXBU-UHFFFAOYSA-P
norman_susdat_id: NS00009254
pubchem_cid: 71496
smiles: C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C
inchi:
InChI=1S/C18H38N4O4/c1-21(2,3)13-15-25-17(23)19-11-9-7-8-10-12-20-18(24)26-16-14-22(4,5)6/h7-16H2,1-6H3/p+2


name: Tetracosafluorotetradecahydrophenanthrene
cas: 306-91-2
chebiid: CHEBI:39423
chemspiderid: 71305
dtxsid: DTXSID1047029
formula: C14F24
inchikey: QKENRHXGDUPTEM-UHFFFAOYSA-N
norman_susdat_id: NS00008640
pubchem_cid: 78972
smiles: FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C21F
inchi:
InChI=1S/C14F24/c15-1-2(16)4(18,10(29,30)14(37,38)12(33,34)6(2,21)22)8(25,26)7(23,24)3(1,17)9(27,28)13(35,36)11(31,32)5(1,19)20


name: Perfluoro-2-methyldecalin
cas: 306-95-6
chemspiderid: 91834
dtxsid: DTXSID40880121
formula: C11F20
inchikey: DVPQLHWKBCBNDB-UHFFFAOYSA-N
norman_susdat_id: NS00018911
pubchem_cid: 101639
smiles: FC(F)(F)C1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
inchi:
InChI=1S/C11F20/c12-1-2(13,7(21,22)10(27,28)9(25,26)6(1,19)20)5(17,18)8(23,24)3(14,4(1,15)16)11(29,30)31


name: Perfluoro-1,2-bis(perfluorocyclohexyl)ethane
cas: 306-99-0
chemspiderid: NA
dtxsid: DTXSID70880119
formula: C14F26
inchikey: IRMGTABUJBVLKA-UHFFFAOYSA-N
norman_susdat_id: NS00018913
pubchem_cid: NA
smiles: FC(F)(C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
inchi:
InChI=1S/C14F26/c15-1(5(21,22)9(29,30)13(37,38)10(31,32)6(1,23)24)3(17,18)4(19,20)2(16)7(25,26)11(33,34)14(39,40)12(35,36)8(2,27)28


name: GLYCERYL DILINOLEATE
cas: 30606-27-0
chemspiderid: 4942782
formula: C39H68O5
inchikey: MQGBAQLIFKSMEM-MAZCIEHSSA-N
norman_susdat_id: NS00013694
pubchem_cid: 6438297
smiles: CCCCC/C=CCC=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=C/C/C=CCCCCC
inchi:
InChI=1S/C39H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37,40H,3-10,15-16,21-36H2,1-2H3/b13-11-,14-12-,19-17-,20-18-


name: Docosanamide
cas: 3061-75-4
chebiid: CHEBI:165591
chemspiderid: 68940
dtxsid: DTXSID7062821
formula: C22H45N1O1
inchikey: ORAWFNKFUWGRJG-UHFFFAOYSA-N
norman_susdat_id: NS00006203
pubchem_cid: 76468
smiles: CCCCCCCCCCCCCCCCCCCCCC(N)=O
inchi:
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)


name: Alanyltyrosine
cas: 3061-88-9
chebiid: CHEBI:73395
chemspiderid: 83903
dtxsid: DTXSID00184677
formula: C12H16N2O4
inchikey: ALZVPLKYDKJKQU-XVKPBYJWSA-N
norman_susdat_id: NS00014785
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)C)Cc1ccc(O)cc1
inchi:
InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1


name: Phthalocyaninemonosulfonic acid cobalt(II) complex
cas: 30638-08-5
chemspiderid: 14580149
dtxsid: DTXSID4051370
formula: C32H18N8O3S1
inchikey: SYCJYZYJLXUTOQ-UHFFFAOYSA-N
norman_susdat_id: NS00021113
pubchem_cid: NA
inchi:
InChI=1S/C32H18N8O3S/c41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32/h1-15H,(H,41,42,43)(H2,33,34,35,36,37,38,39,40)

smiles:
[Co++].OS(=O)(=O)C1=CC=C2C3=NC(=N/C4=C5C=CC=CC5=C([N-]4)N=C4/N=C(/N=C5[N-]/C(=N3)C3=CC=CC=C53)C3=CC=CC=C43)C2=C1


name: Isoolivil
cas: 3064-05-9
chebiid: CHEBI:167779
formula: C20H24O7
inchikey: KCIQZCNOUZCRGH-VOBQZIQPSA-N
norman_susdat_id: NS00097413
smiles: COC1=C(C=C2[C@@H]([C@H]([C@@](CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O
inchi:
InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3/t14-,19+,20-/m1/s1


name: Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(2-methylpropyl)-
cas: 3064-73-1
chemspiderid: 68942
dtxsid: DTXSID7062823
formula: C18H36N2S4
inchikey: QOTYLQBPNZRMNL-UHFFFAOYSA-N
norman_susdat_id: NS00020293
pubchem_cid: 76470
smiles: CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C
inchi:
InChI=1S/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3


name: 2,4,5-trichlorophenyl N-[(benzyloxy)carbonyl]-L-valinate
cas: 3065-23-4
dtxsid: DTXSID30952907
formula: C19H18Cl3NO4
inchikey: KXDPKWZNNMFNOJ-KRWDZBQOSA-N
norman_susdat_id: NS00046301
pubchem_cid: 12912535
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC(Cl)=C(Cl)C=C2Cl)C(C)C
inchi:
InChI=1/C19H18Cl3NO4/c1-11(2)17(23-19(25)26-10-12-6-4-3-5-7-12)18(24)27-16-9-14(21)13(20)8-15(16)22/h3-9,11,17H,10H2,1-2H3,(H,23,25)


name: 2,4,5-trichlorophenyl 3-phenyl-N-[(phenylmethoxy)carbonyl]-L-alaninate
cas: 3065-27-8
formula: C23H18Cl3NO4
inchikey: DQUNNSOIEICROK-FQEVSTJZSA-N
norman_susdat_id: NS00046336
pubchem_cid: 97253
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC(Cl)=C(Cl)C=C2Cl)CC=3C=CC=CC3
inchi:
InChI=1/C23H18Cl3NO4/c24-17-12-19(26)21(13-18(17)25)31-22(28)20(11-15-7-3-1-4-8-15)27-23(29)30-14-16-9-5-2-6-10-16/h1-10,12-13,20H,11,14H2,(H,27,29)


name: 3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-4,5-dihydrothiazolium iodide
cas: 3065-71-2
dtxsid: DTXSID60883730
formula: C13H21N2S2
inchikey: GESKGLZQRFOWRW-UHFFFAOYSA-M
norman_susdat_id: NS00046337
pubchem_cid: NA
smiles: [I-].S1C(=CC=CC=2SCC[N+]2CC)N(CC)CC1
inchi:
InChI=1/C13H21N2S2.HI/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;/h5-7H,3-4,8-11H2,1-2H3;1H/q+1;/p-1


name: 3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium iodide
cas: 3065-79-0
dtxsid: DTXSID20883731
formula: C22H23N2S2
inchikey: SAEMBGFHGROQJZ-UHFFFAOYSA-M
norman_susdat_id: NS00046303
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC(=CC=3SC=4C=CC=CC4[N+]3CC)C)CC
inchi:
InChI=1/C22H23N2S2.HI/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1


name: 1,5-dihydroxy-4-nitro-8-(phenylamino)anthraquinone
cas: 3065-87-0
dtxsid: DTXSID40865857
formula: C20H13N2O6
inchikey: PHLHEYMNKXWDMC-UHFFFAOYSA-N
norman_susdat_id: NS00045610
pubchem_cid: NA
smiles: O=C1C=2C(O)=CC=C(C2C(=O)C=3C(O)=CC=C(NC=4C=CC=CC4)C13)[N+](=O)[O-]
inchi:
InChI=1/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)16-12(22(27)28)7-9-14(24)18(16)19(15)25/h1-9,21,23-24H


name: Parsalmide
cas: 30653-83-9
chebiid: CHEBI:135003
formula: C14H18N2O2
inchikey: DXHYQIJBUNRPJT-UHFFFAOYSA-N
norman_susdat_id: NS00051616
pubchem_cid: 72095
smiles: O=C(NCCCC)C1=CC(N)=CC=C1OCC#C
inchi:
InChI=1/C14H18N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h2,6-7,10H,3,5,8-9,15H2,1H3,(H,16,17)


name: L-lysine, compound with 5-oxo-L-proline (1:1)
cas: 30657-38-6
formula: C6H14N2O2.C5H7NO3
inchikey: GSTSUZHIVMCRLR-RVZXSAGBSA-N
norman_susdat_id: NS00084414
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C6H14N2O2.C5H7NO3/c7-4-2-1-3-5(8)6(9)10;7-4-2-1-3(6-4)5(8)9/h5H,1-4,7-8H2,(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)


cas: 30662-91-0
norman_susdat_id: NS00113522
name:
Hexanedioic acid, polymer with 1,4-butanediol, 1,6-hexanediol and 1,1-methylenebis[4-isocyanatobenzene]


name: 1,1'-(1,3-Dichloropropane-2,2-diyl)bis(4-methoxy-3-methylbenzene)
cas: 30668-06-5
chemspiderid: 369448
dtxsid: DTXSID00329102
formula: C19H22Cl2O2
inchikey: GUOLCWNTYYOCQT-UHFFFAOYSA-N
norman_susdat_id: NS00006354
pubchem_cid: 417357
smiles: COc1ccc(cc1C)C(CCl)(CCl)c1ccc(OC)c(C)c1
inchi:
InChI=1S/C19H22Cl2O2/c1-13-9-15(5-7-17(13)22-3)19(11-20,12-21)16-6-8-18(23-4)14(2)10-16/h5-10H,11-12H2,1-4H3


name: 1H,1H,2H,2H-Perfluorodecylamine
cas: 30670-30-5
dtxsid: DTXSID80382593
formula: C10H6F17N
inchikey: PFINVJYJNJHTFY-UHFFFAOYSA-N
norman_susdat_id: NS00111577
smiles: NCCC(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/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2


name: Ammonium 1,4-bis(2-ethylhexyl) sulphonatosuccinate
cas: 30673-56-4
formula: C20H38O7S.H3N
inchikey: BWSNWGNFRMLBCY-UHFFFAOYSA-N
norman_susdat_id: NS00084938
smiles: [NH4+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C20H38O7S.H3N/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1H3


name: Tetra-O-acetyl-a-D-galactopyranosyl bromide
cas: 3068-32-4
formula: C14H19BrO9
inchikey: CYAYKKUWALRRPA-HTOAHKCRSA-N
norman_susdat_id: NS00081948
smiles: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]1OC(=O)C
inchi:
InChI=1/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3


name: 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-a-D-glucopyranosyl chloride
cas: 3068-34-6
dtxsid: DTXSID90952923
formula: C14H20ClNO8
inchikey: NAYYKQAWUWXLPD-KSTCHIGDSA-N
norman_susdat_id: NS00046338
pubchem_cid: 11100622
smiles: O=C(OCC1OC(Cl)C(NC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C14H20ClNO8/c1-6(17)16-11-13(23-9(4)20)12(22-8(3)19)10(24-14(11)15)5-21-7(2)18/h10-14H,5H2,1-4H3,(H,16,17)


name: 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthylium chloride
cas: 3068-39-1
dtxsid: DTXSID80883732
formula: C27H29N2O3
inchikey: WDTZNHRKHNKDOU-UHFFFAOYSA-M
norman_susdat_id: NS00045611
pubchem_cid: NA
smiles: [Cl-].O=C(OC)C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C
inchi:
InChI=1/C27H29N2O3.ClH/c1-6-28-22-14-24-20(12-16(22)3)26(18-10-8-9-11-19(18)27(30)31-5)21-13-17(4)23(29-7-2)15-25(21)32-24;/h8-15,28-29H,6-7H2,1-5H3;1H/q+1;/p-1


name: 2-[[4-(dimethylamino)phenyl]azo]-3-methylbenzothiazolium chloride
cas: 3068-73-3
dtxsid: DTXSID50952924
formula: C16H17N4S
inchikey: VAFSCZKBDCHCEG-UHFFFAOYSA-M
norman_susdat_id: NS00046339
pubchem_cid: 25093111
smiles: [Cl-].N(=NC=1SC=2C=CC=CC2[N+]1C)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C16H17N4S.ClH/c1-19(2)13-10-8-12(9-11-13)17-18-16-20(3)14-6-4-5-7-15(14)21-16;/h4-11H,1-3H3;1H/q+1;/p-1


name: Methyldigoxin
cas: 30685-43-9
chemspiderid: 32599
dtxsid: DTXSID0023294
formula: C42H66O14
inchikey: IYJMSDVSVHDVGT-HNDHMMHXSA-N
norman_susdat_id: NS00003342
pubchem_cid: 35418
inchi:
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26?,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1

smiles:
CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)C(CC[C@]65O)C5=CC(=O)OC5)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C


name: 3-Amino-5-(4-tert-butylphenyl)thiophene-2-carboxamide
cas: 306935-13-7
dtxsid: DTXSID70370661
formula: C15H18N2OS
inchikey: OGIKEMGUAQEZJE-UHFFFAOYSA-N
norman_susdat_id: NS00096737
smiles: CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)N)N
inchi:
InChI=1S/C15H18N2OS/c1-15(2,3)10-6-4-9(5-7-10)12-8-11(16)13(19-12)14(17)18/h4-8H,16H2,1-3H3,(H2,17,18)


name: 5-{3-tert-Butyl-1-[(3-methylphenyl)methyl]-1H-pyrazol-5-yl}-1,3,4-oxadiazole-2(3H)-thione
cas: 306937-16-6
chemspiderid: 2028718
dtxsid: DTXSID50372643
formula: C17H20N4O1S1
inchikey: UEICSZSCEGYIDR-UHFFFAOYSA-N
norman_susdat_id: NS00015884
pubchem_cid: 2747269
smiles: CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NNC(=S)O3
inchi:
InChI=1S/C17H20N4OS/c1-11-6-5-7-12(8-11)10-21-13(15-18-19-16(23)22-15)9-14(20-21)17(2,3)4/h5-9H,10H2,1-4H3,(H,19,23)


cas: 306973-47-7
dtxsid: DTXSID40108094
norman_susdat_id: NS00110178
name:
Sulfonamides, C4-8-alkane, perfluoro, N-(hydroxyethyl)-N-methyl, reaction products with 12-hydroxyoctadecanoic acid and 2,4-TDI, ammonium salts


cas: 306974-28-7
dtxsid: DTXSID20882724
norman_susdat_id: NS00109611
name:
Siloxanes and Silicones, di-Me, mono[3-[(2-methyl-1-oxo-2-propenyl)oxy]propyl] group-terminated, polymers with 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate and stearyl methacrylate


cas: 306974-45-8
chemspiderid: NA
dtxsid: DTXSID60108096
formula: C19H24F18N2O7S2
inchikey: BDINZLWTVNXLEF-UHFFFAOYSA-N
norman_susdat_id: NS00007307
pubchem_cid: NA
smiles: CC(COCCOC(C)COCC(C)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
Sulfonic acids, C6-8-alkane, perfluoro, compds. with polyethylene-polypropylene glycol bis(2-aminopropyl) ether

inchi:
InChI=1S/C19H24F18N2O7S2/c1-9(38-47(40,41)18(34,35)14(24,25)12(20,21)16(28,29)30)6-44-4-5-46-11(3)8-45-7-10(2)39-48(42,43)19(36,37)15(26,27)13(22,23)17(31,32)33/h9-11,38-39H,4-8H2,1-3H3


cas: 306975-62-2
dtxsid: DTXSID20882885
norman_susdat_id: NS00109628
name:
2-Propenoic acid, 2-methyl-, dodecyl ester, polymers with 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate and vinylidene chloride


cas: 306975-84-8
dtxsid: DTXSID60882809
norman_susdat_id: NS00110982
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, polymer with 1,6-diisocyanatohexane, N-(2-hydroxyethyl)-N-methyl perfluoro C4-8-alkane sulfonamide-blocked


cas: 306975-85-9
dtxsid: DTXSID10882713
norman_susdat_id: NS00109259
name:
2-Propenoic acid, 2-methyl-, dodecyl ester, polymers with N-(hydroxymethyl)-2-propenamide, 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl methacrylate, stearyl methacrylate and vinylidene chloride


cas: 306976-25-0
dtxsid: DTXSID00882727
norman_susdat_id: NS00108900
name:
1-Hexadecanaminium, N,N-dimethyl-N-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl], bromide, polymers with Bu acrylate, Bu methacrylate and 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate


cas: 306976-55-6
dtxsid: DTXSID20108097
norman_susdat_id: NS00109489
name:
2-Propenoic acid, 2-methyl-, 2-methylpropyl ester, polymer with 2,4-diisocyanato-1-methylbenzene, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2-propenoic acid, N-ethyl-N-(hydroxyethyl)perfluoro-C4-8-alkanesulfonamides-blocked


cas: 306977-10-6
dtxsid: DTXSID70882810
norman_susdat_id: NS00111330
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, telomer with 2-[ethyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl methacrylate and 1-octanethiol, N-oxides


cas: 306977-58-2
dtxsid: DTXSID70882658
norman_susdat_id: NS00111316
name:
2-Propenoic acid, 2-methyl-, 3-(trimethoxysilyl)propyl ester, polymers with acrylic acid, 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate and propylene glycol monoacrylate, hydrolyzed, compds. with 2,2'-(methylimino)bis[ethanol]


cas: 306978-04-1
dtxsid: DTXSID70882890
norman_susdat_id: NS00111338
name:
2-Propenoic acid, butyl ester, polymers with acrylamide, 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate and vinylidene chloride


cas: 306978-65-4
dtxsid: DTXSID80108098
norman_susdat_id: NS00111553
name:
Hexane, 1,6-diisocyanato-, homopolymer, N-(hydroxyethyl)-N-methylperfluoro-C4-8-alkanesulfonamides- and stearyl alc.-blocked


cas: 306979-40-8
dtxsid: DTXSID20882880
norman_susdat_id: NS00109627
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(methylamino)ethyl]-.omega.-[(1,1,3,3-tetramethylbutyl)phenoxy]-, N-[(perfluoro-C4-8-alkyl)sulfonyl] derivs.


cas: 306980-27-8
dtxsid: DTXSID10883023
norman_susdat_id: NS00109290
name:
Sulfonamides, C4-8-alkane, perfluoro, N,N'-[1,6-hexanediylbis[(2-oxo-3,5-oxazolidinediyl)methylene]]bis[N-methyl-


name: Perfluoroperhydrofluorene
cas: 307-08-4
chemspiderid: 2056663
dtxsid: DTXSID90380005
formula: C13F22
inchikey: PDFYOLXVKFUEPM-UHFFFAOYSA-N
norman_susdat_id: NS00003174
pubchem_cid: 2776345
smiles: FC1(F)C2(F)C(F)(C3(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C(F)(F)C2(F)F
inchi:
InChI=1S/C13F22/c14-1-2(15)4(17,9(26,27)13(34,35)11(30,31)7(2,22)23)5(18,19)3(1,16)8(24,25)12(32,33)10(28,29)6(1,20)21


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecan-1-amine
cas: 307-36-8
dtxsid: DTXSID20895470
formula: C10H4F19N
inchikey: DCHFZFZWTAMCEN-UHFFFAOYSA-N
norman_susdat_id: NS00109683
smiles: NCC(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/C10H4F19N/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h1,30H2


name: 9:1 Fluorotelomer alcohol
cas: 307-37-9
dtxsid: DTXSID00369826
formula: C10H3F19O
inchikey: NIRPXSQCRWXHNZ-UHFFFAOYSA-N
norman_susdat_id: NS00108783
smiles: OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h30H,1H2


name: Nonadecafluorodecanoyl chloride
cas: 307-38-0
dtxsid: DTXSID40526476
formula: C10ClF19O
inchikey: MCEDOKUQJYNLKR-UHFFFAOYSA-N
norman_susdat_id: NS00110219
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Cl)=O
inchi:
InChI=1S/C10ClF19O/c11-1(31)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30


name: nonadecafluorodecanamide
cas: 307-40-4
dtxsid: DTXSID30382068
formula: C10H2F19NO
inchikey: ZNCMYBRWOIPANY-UHFFFAOYSA-N
norman_susdat_id: NS00109864
smiles: 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)C(F)(F)F
inchi:
InChI=1S/C10H2F19NO/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H2,30,31)


name: Perflubrodec
cas: 307-43-7
chemspiderid: 9020
dtxsid: DTXSID70184725
formula: C10Br1F21
inchikey: JCAULFRGWRHHIG-UHFFFAOYSA-N
norman_susdat_id: NS00011144
pubchem_cid: 9389
smiles: FC(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
inchi:
InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32


name: Perfluorodecane
cas: 307-45-9
chebiid: CHEBI:38851
chemspiderid: NA
dtxsid: DTXSID90872298
formula: C10F22
inchikey: BPHQIXJDBIHMLT-UHFFFAOYSA-N
norman_susdat_id: NS00018917
pubchem_cid: 120203
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32


name: 10:1 Fluorotelomer alcohol
cas: 307-46-0
dtxsid: DTXSID00380056
formula: C11H3F21O
inchikey: MPAMAEMOVKLPRB-UHFFFAOYSA-N
norman_susdat_id: NS00108795
smiles: OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H3F21O/c12-2(13,1-33)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/h33H,1H2


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Tricosafluoro-1-iodoundecane
cas: 307-50-6
chemspiderid: 30988157
dtxsid: DTXSID00880122
formula: C11F23I1
inchikey: TZOCNIUPCRBERM-UHFFFAOYSA-N
norman_susdat_id: NS00018918
pubchem_cid: 14993423
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
inchi:
InChI=1S/C11F23I/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)35


name: Perfluorodecanesulphonyl fluoride
cas: 307-51-7
chemspiderid: 60866
dtxsid: DTXSID5059795
formula: C10F22O2S1
inchikey: QMNUYVWNQITPHA-UHFFFAOYSA-N
norman_susdat_id: NS00011152
pubchem_cid: 67544
smiles: O=[S](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)(=O)F
inchi:
InChI=1S/C10F22O2S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34


name: Perfluorododecanoic acid (PFDoDA)
cas: 307-55-1
chebiid: CHEBI:90633
chemspiderid: 60867
dtxsid: DTXSID8031861
formula: C12H1F23O2
inchikey: CXGONMQFMIYUJR-UHFFFAOYSA-N
norman_susdat_id: NS00009617
pubchem_cid: 67545
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)


name: Perfluorododecane
cas: 307-59-5
chemspiderid: 71306
dtxsid: DTXSID30184726
formula: C12F26
inchikey: WNZGTRLARPEMIG-UHFFFAOYSA-N
norman_susdat_id: NS00018919
pubchem_cid: 78973
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38


name: Pentacosafluoro-1-iodododecane
cas: 307-60-8
chemspiderid: 60868
dtxsid: DTXSID0059796
formula: C12F25I1
inchikey: WBYCUETVRCXUPE-UHFFFAOYSA-N
norman_susdat_id: NS00011178
pubchem_cid: 67546
smiles: FC(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
inchi:
InChI=1S/C12F25I/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38


name: Perfluorotetradecane
cas: 307-62-0
chemspiderid: 2056689
dtxsid: DTXSID90184727
formula: C14F30
inchikey: HYZQZWDYBKVIRI-UHFFFAOYSA-N
norman_susdat_id: NS00018920
pubchem_cid: 2776371
inchi:
InChI=1S/C14F30/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44

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


name: Perfluoro-1-iodotetradecane
cas: 307-63-1
chemspiderid: 60869
dtxsid: DTXSID5059797
formula: C14F29I1
inchikey: MHIPPKXKESHCIO-UHFFFAOYSA-N
norman_susdat_id: NS00011181
pubchem_cid: 67547
inchi:
InChI=1S/C14F29I/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44

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


name: 1H,1H,11H-Eicosafluoro-1-undecanol
cas: 307-70-0
chemspiderid: 60870
dtxsid: DTXSID0059798
formula: C11H4F20O1
inchikey: GJYLSFCFHFUODO-UHFFFAOYSA-N
norman_susdat_id: NS00011194
pubchem_cid: 67548
smiles: C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(C(F)(C(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)O
inchi:
InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2


name: Potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoate
cas: 307-71-1
formula: C11H2F20O2.K
inchikey: QFSOSTRDKOQRKA-UHFFFAOYSA-M
norman_susdat_id: NS00079451
smiles: [K+].[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
inchi:
InChI=1/C11H2F20O2.K/c12-1(13)3(14,15)5(18,19)7(22,23)9(26,27)11(30,31)10(28,29)8(24,25)6(20,21)4(16,17)2(32)33;/h1H,(H,32,33);/q;+1/p-1


name: Perfluorosebacic acid
cas: 307-78-8
chemspiderid: 2015072
dtxsid: DTXSID50184728
formula: C10H2F16O4
inchikey: YPCSMEGZIYWAAZ-UHFFFAOYSA-N
norman_susdat_id: NS00018923
pubchem_cid: 2733269
smiles: OC(=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(O)=O
inchi:
InChI=1S/C10H2F16O4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)


name: Methyl Perfluorodecanoate
cas: 307-79-9
dtxsid: DTXSID60369822
formula: C11H3F19O2
inchikey: QJFHNYDPNSFJMR-UHFFFAOYSA-N
norman_susdat_id: NS00110869
smiles: COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H3F19O2/c1-32-2(31)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl acrylate
cas: 307-87-9
chemspiderid: 2282427
dtxsid: DTXSID10184729
formula: C12H5F17O2
inchikey: BZYSOYLWVDQYMZ-UHFFFAOYSA-N
norman_susdat_id: NS00018924
pubchem_cid: 3013855
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)COC(=O)C=C
inchi:
InChI=1S/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2


name: Vinyl perfluorooctanoate
cas: 307-93-7
dtxsid: DTXSID30380766
formula: C10H3F15O2
inchikey: UCRSPYLHWASUKR-UHFFFAOYSA-N
norman_susdat_id: NS00109861
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC=C
inchi:
InChI=1S/C10H3F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2


name: Butyl pentadecafluorooctanoate
cas: 307-96-0
dtxsid: DTXSID20895738
formula: C12H9F15O2
inchikey: SBMFZWPPSPRLTN-UHFFFAOYSA-N
norman_susdat_id: NS00109710
smiles: CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H9F15O2/c1-2-3-4-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3


name: 1H,1H-Perfluorooctyl acrylate
cas: 307-98-2
chemspiderid: 60873
dtxsid: DTXSID5059799
formula: C11H5F15O2
inchikey: YSQGYEYXKXGAQA-UHFFFAOYSA-N
norman_susdat_id: NS00010991
pubchem_cid: 67551
smiles: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(C=C)=O
inchi:
InChI=1S/C11H5F15O2/c1-2-4(27)28-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2


name: Sucrose dimyristate
cas: 30701-38-3
dtxsid: DTXSID70952946
formula: C40H74O13
inchikey: CVWXSFIOYIUNPQ-UZYVTAGHSA-N
norman_susdat_id: NS00050354
pubchem_cid: NA
smiles: O=C(OC1C(OC(CO)C(O)C1O)OC2(OC(CO)C(O)C2OC(=O)CCCCCCCCCCCCC)CO)CCCCCCCCCCCCC
inchi:
InChI=1/C40H74O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(44)50-37-36(48)34(46)30(27-41)49-39(37)53-40(29-43)38(35(47)31(28-42)52-40)51-33(45)26-24-22-20-18-16-14-12-10-8-6-4-2/h30-31,34-39,41-43,46-48H,3-29H2,1-2H3


name: 3H-Pyrazol-3-one, 5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
cas: 30707-68-7
chemspiderid: 108626
dtxsid: DTXSID9067568
formula: C15H8Cl4N4O3
inchikey: KONNKNHQEUEYPZ-UHFFFAOYSA-N
norman_susdat_id: NS00009017
pubchem_cid: 121745
smiles: Clc1cc(Cl)c(N2N=C(CC2=O)Nc2cc(ccc2Cl)N(=O)=O)c(Cl)c1
inchi:
InChI=1S/C15H8Cl4N4O3/c16-7-3-10(18)15(11(19)4-7)22-14(24)6-13(21-22)20-12-5-8(23(25)26)1-2-9(12)17/h1-5H,6H2,(H,20,21)


name: Oxotriphenoxyvanadium
cas: 30707-87-0
formula: C18H15O4V
inchikey: XFUAVPBECVXNRA-UHFFFAOYSA-K
norman_susdat_id: NS00084416
smiles: O=[V](Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3
inchi:
InChI=1/3C6H6O.O.V/c3*7-6-4-2-1-3-5-6;;/h3*1-5,7H;;/q;;;;+3/p-3/rC18H15O4V/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H


name: 3-ethyl-2-[7-(3-ethyl-3H-benzothiazol-2-ylidene)hepta-1,3,5-trienyl]benzothiazolium iodide
cas: 3071-70-3
dtxsid: DTXSID60883735
formula: C25H25N2S2
inchikey: OYVFJKVYVDYPFV-UHFFFAOYSA-M
norman_susdat_id: NS00045616
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=CC=CC=CC=3SC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C25H25N2S2.HI/c1-3-26-20-14-10-12-16-22(20)28-24(26)18-8-6-5-7-9-19-25-27(4-2)21-15-11-13-17-23(21)29-25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1


name: Disodium 8-(phenylamino)-5-[[4-[(5-sulphonatonaphthyl)azo]naphthyl]azo]naphthalenesulphonate
cas: 3071-73-6
dtxsid: DTXSID10889368
formula: C36H25N5O6S2
inchikey: OLPWJTQWWFWEFS-UHFFFAOYSA-L
norman_susdat_id: NS00046360
pubchem_cid: 18307
inchi:
InChI=1/C36H25N5O6S2.2Na/c42-48(43,44)34-17-7-13-26-27(34)14-6-16-29(26)38-39-30-19-20-31(25-12-5-4-11-24(25)30)40-41-32-21-22-33(37-23-9-2-1-3-10-23)36-28(32)15-8-18-35(36)49(45,46)47;;/h1-22,37H,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C2C(N=NC3=CC=C(N=NC=4C=CC(NC=5C=CC=CC5)=C6C4C=CC=C6S(=O)(=O)[O-])C=7C=CC=CC37)=CC=CC21


name: Dilauryl adipate
cas: 3072-02-4
dtxsid: DTXSID7062829
formula: C30H58O4
inchikey: GHKVUVOPHDYRJC-UHFFFAOYSA-N
norman_susdat_id: NS00045617
pubchem_cid: 76489
smiles: O=C(OCCCCCCCCCCCC)CCCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C30H58O4/c1-3-5-7-9-11-13-15-17-19-23-27-33-29(31)25-21-22-26-30(32)34-28-24-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: 2,2'-[(1-Methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis[oxirane]
cas: 3072-84-2
chemspiderid: 56055
dtxsid: DTXSID0052700
formula: C21H20Br4O4
inchikey: ZJRAAAWYHORFHN-UHFFFAOYSA-N
norman_susdat_id: NS00002093
pubchem_cid: 62250
smiles: CC(C)(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OCC2CO2)c(Br)c1
inchi:
InChI=1S/C21H20Br4O4/c1-21(2,11-3-15(22)19(16(23)4-11)28-9-13-7-26-13)12-5-17(24)20(18(25)6-12)29-10-14-8-27-14/h3-6,13-14H,7-10H2,1-2H3


name: 3-(tert-butyldioxy)-3-(4-chlorophenyl)phthalide
cas: 30723-78-5
dtxsid: DTXSID80952952
formula: C18H17ClO4
inchikey: HUIRLOSIYSITTB-UHFFFAOYSA-N
norman_susdat_id: NS00050871
pubchem_cid: 121751
smiles: O=C1OC(OOC(C)(C)C)(C2=CC=C(Cl)C=C2)C=3C=CC=CC13
inchi:
InChI=1/C18H17ClO4/c1-17(2,3)22-23-18(12-8-10-13(19)11-9-12)15-7-5-4-6-14(15)16(20)21-18/h4-11H,1-3H3


name: Trichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
cas: 30729-50-1
formula: C34H13Cl3O2
inchikey: WEPYJUUAUKHISC-UHFFFAOYSA-N
norman_susdat_id: NS00050876
pubchem_cid: 57377016
smiles: O=C1C=2C=CC=CC2C=3C=CC=4C=5C=CC=6C(=O)C=7C(Cl)=C(Cl)C(Cl)=CC7C8=CC=C(C9=CC=C1C3C94)C5C68
inchi:
InChI=1/C34H13Cl3O2/c35-25-13-24-20-8-7-17-18-9-11-22-28-15(14-3-1-2-4-21(14)33(22)38)5-6-16(26(18)28)19-10-12-23(29(20)27(17)19)34(39)30(24)32(37)31(25)36/h1-13H


name: Oxazole, 2,2'-(1,4-phenylene)bis[4-methyl-5-phenyl-
cas: 3073-87-8
chemspiderid: 68961
dtxsid: DTXSID6062830
formula: C26H20N2O2
inchikey: VLDFXDUAENINOO-UHFFFAOYSA-N
norman_susdat_id: NS00028959
pubchem_cid: 76491
smiles: Cc1c(oc(n1)c1ccc(cc1)c1nc(C)c(o1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H20N2O2/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20/h3-16H,1-2H3


cas: 30744-85-5
dtxsid: DTXSID80865558
formula: C52H61ClN2O8S
inchikey: AHFGXYNQFIKDFT-UHFFFAOYSA-N
norman_susdat_id: NS00050422
pubchem_cid: 161672
name:
N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide

inchi:
InChI=1/C52H61ClN2O8S/c1-10-51(6,7)36-19-30-45(42(32-36)52(8,9)11-2)61-31-15-18-46(56)54-37-20-29-43(53)44(33-37)55-49(58)47(48(57)50(3,4)5)63-39-23-27-41(28-24-39)64(59,60)40-25-21-38(22-26-40)62-34-35-16-13-12-14-17-35/h12-14,16-17,19-30,32-33,47H,10-11,15,18,31,34H2,1-9H3,(H,54,56)(H,55,58)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(OCC=4C=CC=CC4)C=C3)C(=O)C(C)(C)C)CCCOC5=CC=C(C=C5C(C)(C)CC)C(C)(C)CC


name: Hydroxyaluminium bis(2-ethylhexanoate)
cas: 30745-55-2
formula: C16H31AlO5
inchikey: ITXFWNWNWXSDBB-UHFFFAOYSA-K
norman_susdat_id: NS00084447
smiles: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].O[Al+2]
inchi:
InChI=1/2C8H16O2.Al.H2O/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;1H2/q;;+3;/p-3/r2C8H16O2.AlHO/c2*1-3-5-6-7(4-2)8(9)10;1-2/h2*7H,3-6H2,1-2H3,(H,9,10);2H/q;;+2/p-2


name: Feprazone
cas: 30748-29-9
chebiid: CHEBI:31603
chemspiderid: 32612
dtxsid: DTXSID3023051
formula: C20H20N2O2
inchikey: RBBWCVQDXDFISW-UHFFFAOYSA-N
norman_susdat_id: NS00007046
pubchem_cid: 35455
smiles: CC(C)=CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H20N2O2/c1-15(2)13-14-18-19(23)21(16-9-5-3-6-10-16)22(20(18)24)17-11-7-4-8-12-17/h3-13,18H,14H2,1-2H3


name: 2,4,6-Tris(1-methyl-1-phenylethyl)phenol
cas: 30748-85-7
chemspiderid: 551024
dtxsid: DTXSID00184773
formula: C33H36O1
inchikey: CEHYZIXIKLSACQ-UHFFFAOYSA-N
norman_susdat_id: NS00028962
pubchem_cid: 634812
smiles: CC(C)(c1ccccc1)c1cc(c(O)c(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
inchi:
InChI=1S/C33H36O/c1-31(2,24-16-10-7-11-17-24)27-22-28(32(3,4)25-18-12-8-13-19-25)30(34)29(23-27)33(5,6)26-20-14-9-15-21-26/h7-23,34H,1-6H3


cas: 307531-76-6
dtxsid: DTXSID70896270
formula: C13H8F9NO5S
inchikey: PNXSDOXXIOPXPY-UHFFFAOYSA-N
norman_susdat_id: NS00111471
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)ON1C(=O)C2C3CC(C=C3)C2C1=O
name:
2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

inchi:
InChI=1/C13H8F9NO5S/c14-10(15,12(18,19)20)11(16,17)13(21,22)29(26,27)28-23-8(24)6-4-1-2-5(3-4)7(6)9(23)25/h1-2,4-7H,3H2


name: Sodium isopropyl 2-sulphooctadecanoate
cas: 3076-25-3
dtxsid: DTXSID40952973
formula: C21H42O5S
inchikey: PGWZYVPSGZRFNA-UHFFFAOYSA-N
norman_susdat_id: NS00046374
pubchem_cid: 3014165
smiles: [Na+].O=C(OC(C)C)C(CCCCCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C21H42O5S.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(27(23,24)25)21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1


name: 1-methyl 2-sulphooctadecanoate
cas: 3076-26-4
dtxsid: DTXSID10883942
formula: C19H38O5S
inchikey: NRCIPQBRBAFTIA-UHFFFAOYSA-N
norman_susdat_id: NS00046909
pubchem_cid: 18317
smiles: O=C(OC)C(CCCCCCCCCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C19H38O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(20)24-2)25(21,22)23/h18H,3-17H2,1-2H3,(H,21,22,23)


name: Tridodecyl phosphite
cas: 3076-63-9
chemspiderid: 68965
dtxsid: DTXSID6051988
formula: C36H75O3P1
inchikey: IVIIAEVMQHEPAY-UHFFFAOYSA-N
norman_susdat_id: NS00020189
pubchem_cid: 76495
smiles: CCCCCCCCCCCCOP(OCCCCCCCCCCCC)OCCCCCCCCCCCC
inchi:
InChI=1S/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


name: N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-methoxybenzamide]
cas: 3076-87-7
dtxsid: DTXSID00952974
formula: C30H22N2O8
inchikey: CWTAJVLVXTWHMD-UHFFFAOYSA-N
norman_susdat_id: NS00046375
pubchem_cid: 76496
smiles: O=C(NC1=CC=C(O)C=2C(=O)C=3C(=CC=C(O)C3C(=O)C12)NC(=O)C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5
inchi:
InChI=1/C30H22N2O8/c1-39-17-7-3-15(4-8-17)29(37)31-19-11-13-21(33)25-23(19)27(35)26-22(34)14-12-20(24(26)28(25)36)32-30(38)16-5-9-18(40-2)10-6-16/h3-14,33-34H,1-2H3,(H,31,37)(H,32,38)


name: Chloro[p-[(2-hydroxy-1-naphthyl)azo]phenyl]mercury
cas: 3076-91-3
formula: C16H11ClHgN2O
inchikey: CDEIGFNQWMSEKG-UHFFFAOYSA-M
norman_susdat_id: NS00081973
smiles: Oc1ccc2ccccc2c1N=Nc3ccc([Hg]Cl)cc3
inchi:
InChI=1/C16H11N2O.ClH.Hg/c19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;;/h2-11,19H;1H;/q;;+1/p-1/rC16H11ClHgN2O/c17-18-12-6-8-13(9-7-12)19-20-16-14-4-2-1-3-11(14)5-10-15(16)21/h1-10,21H


name: S-((Perfluoro-9-methyldecyl)ethyl) 2-methyl-2-propenethioate
cas: 30769-88-1
chemspiderid: 2341565
dtxsid: DTXSID8067573
formula: C17H9F23O1S1
inchikey: ZBPHBMSKQBHWJR-UHFFFAOYSA-N
norman_susdat_id: NS00018921
pubchem_cid: 3084518
smiles: CC(=C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C17H9F23OS/c1-5(2)6(41)42-4-3-7(18,19)9(21,22)11(25,26)13(29,30)15(33,34)14(31,32)12(27,28)10(23,24)8(20,16(35,36)37)17(38,39)40/h1,3-4H2,2H3


name: S-((Perfluoro-5-methylhexyl)ethyl)-2-methylpropenethioate
cas: 30769-91-6
chemspiderid: 2341566
dtxsid: DTXSID3067574
formula: C13H9F15O1S1
inchikey: LDEYRMSHMYWNMA-UHFFFAOYSA-N
norman_susdat_id: NS00018922
pubchem_cid: 3084519
smiles: CC(=C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H9F15OS/c1-5(2)6(29)30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h1,3-4H2,2H3


name: 4-(octadecylamino)-4-oxoisocrotonic acid
cas: 3077-27-8
dtxsid: DTXSID70883943
formula: C22H41NO3
inchikey: NWODYZCQADERLP-HNENSFHCSA-N
norman_susdat_id: NS00046376
pubchem_cid: 13685295
smiles: O=C(O)C=CC(=O)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21(24)18-19-22(25)26/h18-19H,2-17,20H2,1H3,(H,23,24)(H,25,26)


name: Tetradecylbenzenesulphonic acid
cas: 30776-59-1
formula: C20H34O3S
inchikey: UNYKBGSYYHWZCB-UHFFFAOYSA-N
norman_susdat_id: NS00084455
smiles: CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O
inchi:
InChI=1/C20H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18-20(19)24(21,22)23/h14-15,17-18H,2-13,16H2,1H3,(H,21,22,23)


name: 9,10-Anthracenedione, 1,5-diamino-2,6-dibromo-4,8-dihydroxy-
cas: 30787-41-8
chemspiderid: 142000
dtxsid: DTXSID8067575
formula: C14H8Br2N2O4
inchikey: GKAYGVLBCJAHOE-UHFFFAOYSA-N
norman_susdat_id: NS00028966
pubchem_cid: 161677
smiles: Nc1c(Br)cc(O)c2c1C(=O)c1c(c(N)c(Br)cc1O)C2=O
inchi:
InChI=1S/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)8-6(20)2-4(16)12(18)10(8)13(7)21/h1-2,19-20H,17-18H2


name: Benzylcarbonylglycyloxy-L-alanine
cas: 3079-63-8
formula: C13H16N2O5
inchikey: PHOHVZFZYPEPLL-VIFPVBQESA-N
norman_susdat_id: NS00046922
pubchem_cid: NA
smiles: O=C(O)C(NOC(=O)CNC(=O)CC=1C=CC=CC1)C
inchi:
InChI=1/C13H16N2O5/c1-9(13(18)19)15-20-12(17)8-14-11(16)7-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,14,16)(H,18,19)


name: (2-hydroxypropyl)ammonium citrate
cas: 30798-32-4
formula: C6H8O7.xC3H9NO
inchikey: SDFDXISIQPWHEE-UHFFFAOYSA-N
norman_susdat_id: NS00084236
smiles: CC(O)C[NH3+].CC(O)C[NH3+].CC(O)C[NH3+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.3C3H9NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-3(5)2-4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*3,5H,2,4H2,1H3


name: Perfluorohexanoic anhydride
cas: 308-13-4
dtxsid: DTXSID20897015
formula: C12F22O3
inchikey: ZWOIEMQQRPMRSE-UHFFFAOYSA-N
norman_susdat_id: NS00109802
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F22O3/c13-3(14,5(17,18)7(21,22)9(25,26)11(29,30)31)1(35)37-2(36)4(15,16)6(19,20)8(23,24)10(27,28)12(32,33)34


name: Perfluoropentanoic anhydride
cas: 308-28-1
dtxsid: DTXSID00377825
formula: C10F18O3
inchikey: YHNMNWOUFKIZLY-UHFFFAOYSA-N
norman_susdat_id: NS00108788
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28


name: N-acetyl-2-(3-methoxyphenyl)neuraminic acid
cas: 30804-44-5
formula: C18H25NO10
inchikey: YOXSIQUWTMPLFS-UHFFFAOYSA-N
norman_susdat_id: NS00049833
pubchem_cid: NA
smiles: O=C(O)C1(OC2=CC=C(OC)C=C2)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
inchi:
InChI=1/C18H25NO10/c1-9(21)19-14-12(22)7-18(17(25)26,29-16(14)15(24)13(23)8-20)28-11-5-3-10(27-2)4-6-11/h3-6,12-16,20,22-24H,7-8H2,1-2H3,(H,19,21)(H,25,26)


name: (2,4-diaminopyrimidin-5-yl) (3,4,5-trimethoxyphenyl)methanone
cas: 30806-86-1
chemspiderid: NA
dtxsid: DTXSID601017795
formula: C14H16N4O4
inchikey: GAAPPIKAFNZRLA-UHFFFAOYSA-N
norman_susdat_id: NS00040755
pubchem_cid: 13734023
smiles: COc1cc(cc(OC)c1OC)C(=O)c1cnc(N)nc1N
inchi:
InChI=1S/C14H16N4O4/c1-20-9-4-7(5-10(21-2)12(9)22-3)11(19)8-6-17-14(16)18-13(8)15/h4-6H,1-3H3,(H4,15,16,17,18)


name: N-(1,4-Dimethylpentyl)-N'-phenyl-1,4-benzenediamine
cas: 3081-01-4
chemspiderid: 83232
dtxsid: DTXSID5027516
formula: C19H26N2
inchikey: UHJVLUYSDYOULM-UHFFFAOYSA-N
norman_susdat_id: NS00007811
pubchem_cid: 92190
smiles: CC(C)CCC(C)Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C19H26N2/c1-15(2)9-10-16(3)20-18-11-13-19(14-12-18)21-17-7-5-4-6-8-17/h4-8,11-16,20-21H,9-10H2,1-3H3


name: N,N'-Bis(1,4-dimethylpentyl)-4-phenylenediamine
cas: 3081-14-9
chemspiderid: 17302
dtxsid: DTXSID2024618
formula: C20H36N2
inchikey: ZJNLYGOUHDJHMG-UHFFFAOYSA-N
norman_susdat_id: NS00003878
pubchem_cid: 18320
smiles: CC(C)CCC(C)Nc1ccc(NC(C)CCC(C)C)cc1
inchi:
InChI=1S/C20H36N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h11-18,21-22H,7-10H2,1-6H3


name: Sodium 1,4-bis[2-[2-(dodecyloxy)ethoxy]ethyl] sulphonatosuccinate
cas: 30817-14-2
dtxsid: DTXSID30953015
formula: C36H70O11S
inchikey: SXYBWIUHQUXVNA-UHFFFAOYSA-M
norman_susdat_id: NS00050560
pubchem_cid: 3015515
smiles: [Na+].O=C(OCCOCCOCCCCCCCCCCCC)CC(C(=O)OCCOCCOCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C36H70O11S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-42-25-27-44-29-31-46-35(37)33-34(48(39,40)41)36(38)47-32-30-45-28-26-43-24-22-20-18-16-14-12-10-8-6-4-2;/h34H,3-33H2,1-2H3,(H,39,40,41);/q;+1/p-1


name: [[5-[(Acetyloxy)methyl]-1-phenyl-1H-pyrazol-3-yl]methylene]phenylhydrazide acetic acid
cas: 3082-93-7
chemspiderid: 7841068
dtxsid: DTXSID40430342
formula: C21H20N4O3
inchikey: OCJHHFFKPBBMOO-HYARGMPZSA-N
norman_susdat_id: NS00016786
pubchem_cid: 9566350
smiles: CC(=O)N(C1=CC=CC=C1)N=CC2=NN(C(=C2)COC(=O)C)C3=CC=CC=C3
inchi:
InChI=1S/C21H20N4O3/c1-16(26)24(19-9-5-3-6-10-19)22-14-18-13-21(15-28-17(2)27)25(23-18)20-11-7-4-8-12-20/h3-14H,15H2,1-2H3/b22-14+


name: Remimazolam
cas: 308242-62-8
dtxsid: DTXSID20953024
formula: C21H19BrN4O2
inchikey: CYHWMBVXXDIZNZ-KRWDZBQOSA-N
norman_susdat_id: NS00069587
pubchem_cid: 9867812
smiles: COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21
inchi:
InChI=1S/C21H19BrN4O2/c1-13-12-24-21-17(7-9-19(27)28-2)25-20(16-5-3-4-10-23-16)15-11-14(22)6-8-18(15)26(13)21/h3-6,8,10-12,17H,7,9H2,1-2H3/t17-/m0/s1


name: 4-[[4-[(4-hydroxy-3-methylphenyl)azo]phenyl]azo]-m-cresol
cas: 30828-87-6
formula: C20H18N4O2
inchikey: JCQDQWMRANMFIK-UHFFFAOYSA-N
norman_susdat_id: NS00050561
pubchem_cid: 3015516
smiles: OC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C(=C3)C)C=C2)C(=C1)C
inchi:
InChI=1/C20H18N4O2/c1-13-12-18(25)8-9-19(13)24-22-16-5-3-15(4-6-16)21-23-17-7-10-20(26)14(2)11-17/h3-12,25-26H,1-2H3


cas: 3083-11-2
chemspiderid: 68980
dtxsid: DTXSID20184831
formula: C15H37N5
inchi: InChI=1S/C15H37N5/c1-16(2)8-10-18(5)12-14-20(7)15-13-19(6)11-9-17(3)4/h8-15H2,1-7H3
inchikey: SZYLDXKMZNIHDQ-UHFFFAOYSA-N
norman_susdat_id: NS00028971
pubchem_cid: 76510
smiles: CN(C)CCN(C)CCN(C)CCN(C)CCN(C)C
name:
N-(2-(Dimethylamino)ethyl)-N'-(2-((2-(dimethylamino)ethyl)methylamino)ethyl)-N,N'-dimethylethylenediamine


name: Arabinofuranosyluracil
cas: 3083-77-0
chebiid: CHEBI:68346
dtxsid: DTXSID80184832
formula: C9H12N2O6
inchikey: DRTQHJPVMGBUCF-CCXZUQQUSA-N
norman_susdat_id: NS00076410
smiles: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
inchi:
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7+,8-/m1/s1


name: Zalypsis
cas: 308359-57-1
dtxsid: DTXSID0044026
formula: C37H38F3N3O8
inchikey: VPAHZSUNBOYNQY-DLVGLDQCSA-N
norman_susdat_id: NS00072885
pubchem_cid: 16061448
inchi:
InChI=1S/C37H38F3N3O8/c1-17-11-21-13-25-36(47)43-24(30(42(25)4)28(21)31(46)32(17)48-5)14-23-29(35-34(49-16-50-35)18(2)33(23)51-19(3)44)26(43)15-41-27(45)10-9-20-7-6-8-22(12-20)37(38,39)40/h6-12,24-26,30,36,46-47H,13-16H2,1-5H3,(H,41,45)/b10-9+/t24-,25-,26-,30-,36-/m0/s1

smiles:
COc1c(C)cc2c(c1O)[C@@H]1[C@@H]3Cc4c(OC(C)=O)c(C)c5c(c4[C@H](CNC(=O)/C=C/c4cccc(C(F)(F)F)c4)N3[C@@H](O)[C@H](C2)N1C)OCO5


name: 2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]methylamino]ethanol
cas: 3084-21-7
formula: C16H17Cl2N4O3
inchikey: SDAZJSTZWITAGK-UHFFFAOYSA-N
norman_susdat_id: NS00046401
pubchem_cid: 21115438
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2C)N(C)CCO)C(Cl)=C1
inchi:
InChI=1/C16H16Cl2N4O3/c1-10-7-11(21(2)5-6-23)3-4-15(10)19-20-16-13(17)8-12(22(24)25)9-14(16)18/h3-4,7-9,23H,5-6H2,1-2H3


name: Hexadecyltrimethylammonium nitrite
cas: 3084-33-1
formula: C19H42N.NO2
inchikey: KIPYNWHZUMMNGC-UHFFFAOYSA-M
norman_susdat_id: NS00081621
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]N=O
inchi:
InChI=1/C19H42N.HNO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;2-1-3/h5-19H2,1-4H3;(H,2,3)/q+1;/p-1


name: 5,5'(Thiodipropane-3,1-diyl)bis(2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-thione)
cas: 30843-83-5
chemspiderid: 21229699
dtxsid: DTXSID40184858
formula: C22H24N6S3
inchikey: RFBFWVSTNUOTMX-UHFFFAOYSA-N
norman_susdat_id: NS00028975
pubchem_cid: 56841884
smiles: S=c1[nH]nc(CCCSCCCc2n[nH]c(=S)n2c2ccccc2)n1c1ccccc1
inchi:
InChI=1S/C22H24N6S3/c29-21-25-23-19(27(21)17-9-3-1-4-10-17)13-7-15-31-16-8-14-20-24-26-22(30)28(20)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,25,29)(H,26,30)


name: Potassium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate
cas: 30845-78-4
formula: C14H8O5S.K
inchikey: BMAWOUMCJNTMPB-UHFFFAOYSA-M
norman_susdat_id: NS00083858
smiles: [K+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1/C14H8O5S.K/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);/q;+1/p-1


name: Sodium 5-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 30845-79-5
dtxsid: DTXSID00184859
formula: C14H9NO5S
inchikey: HLQFHTSTLFRMFL-UHFFFAOYSA-M
norman_susdat_id: NS00049852
pubchem_cid: 3015518
smiles: [Na+].O=C1C=2C=CC=C(N)C2C(=O)C3=CC=C(C=C13)S(=O)(=O)[O-]
inchi:
InChI=1/C14H9NO5S.Na/c15-11-3-1-2-9-12(11)14(17)8-5-4-7(21(18,19)20)6-10(8)13(9)16;/h1-6H,15H2,(H,18,19,20);/q;+1/p-1


name: Isooctyl hydrogen phthalate
cas: 30849-48-0
formula: C16H22O4
inchikey: OKQCINGECXXEQY-UHFFFAOYSA-N
norman_susdat_id: NS00083859
smiles: CC(C)CCCCCOC(=O)c1ccccc1C(=O)O
inchi:
InChI=1/C16H22O4/c1-12(2)8-4-3-7-11-20-16(19)14-10-6-5-9-13(14)15(17)18/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,17,18)


name: Aluminium tributanolate
cas: 3085-30-1
formula: C4H10O.1/3Al
inchikey: MYWQGROTKMBNKN-UHFFFAOYSA-N
norman_susdat_id: NS00082001
smiles: CCCCO[Al](OCCCC)OCCCC
inchi:
InChI=1/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3/rC12H27AlO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3


name: N,N'-bis[3-(triethoxysilyl)propyl]ethylenediamine
cas: 30858-91-4
dtxsid: DTXSID80184872
formula: C20H48N2O6Si2
inchikey: QMIREOCYHAFOPK-UHFFFAOYSA-N
norman_susdat_id: NS00049244
pubchem_cid: 3015519
smiles: O(CC)[Si](OCC)(OCC)CCCNCCNCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C20H48N2O6Si2/c1-7-23-29(24-8-2,25-9-3)19-13-15-21-17-18-22-16-14-20-30(26-10-4,27-11-5)28-12-6/h21-22H,7-20H2,1-6H3


name: 2-[(tributylstannyl)thio]pyridine 1-oxide
cas: 30860-66-3
dtxsid: DTXSID20184876
formula: C17H32NOSSn
inchikey: IZLTYRKHPKGVOT-UHFFFAOYSA-M
norman_susdat_id: NS00049842
pubchem_cid: 12718889
smiles: [O-][N+]=1C=CC=CC1S[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C5H5NOS.3C4H9.Sn/c7-6-4-2-1-3-5(6)8;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1/rC17H31NOSSn/c1-4-7-14-21(15-8-5-2,16-9-6-3)20-17-12-10-11-13-18(17)19/h10-13H,4-9,14-16H2,1-3H3


name: Aloesin
cas: 30861-27-9
chebiid: CHEBI:2608
chemspiderid: 140797
dtxsid: DTXSID80184877
formula: C19H22O9
inchikey: HKIKAXXIWJHWLY-ZIIYPAMZSA-N
norman_susdat_id: NS00018305
pubchem_cid: 160190
smiles: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O
inchi:
InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1


name: Tris(2-hydroxyethyl)ammonium octyl sulphate
cas: 30862-34-1
formula: C8H18O4S.C6H15NO3
inchikey: JKLVJVFMOYDRNL-UHFFFAOYSA-N
norman_susdat_id: NS00084251
smiles: CCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C8H18O4S.C6H15NO3/c1-2-3-4-5-6-7-8-12-13(9,10)11;8-4-1-7(2-5-9)3-6-10/h2-8H2,1H3,(H,9,10,11);8-10H,1-6H2


name: Pyrazofurin
cas: 30868-30-5
chebiid: CHEBI:90284
chemspiderid: 10570780
formula: C9H13N3O6
inchikey: XESARGFCSKSFID-FLLFQEBCSA-N
norman_susdat_id: NS00011710
pubchem_cid: 35595
smiles: C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=NNC(=C2O)C(=O)N)O)O)O
inchi:
InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1


name: CI 44090
cas: 3087-16-9
chemspiderid: 2287039
formula: C27H28N2O7S2
inchikey: CJJWIJSJELXUKG-UHFFFAOYSA-N
norman_susdat_id: NS00013509
pubchem_cid: 3020021
smiles: [Na+].CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3c(O)c(cc4cc(ccc34)[S]([O-])(=O)=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C27H26N2O7S2.Na/c1-28(2)20-9-5-17(6-10-20)25(18-7-11-21(12-8-18)29(3)4)26-23-14-13-22(37(31,32)33)15-19(23)16-24(27(26)30)38(34,35)36;/h5-16H,1-4H3,(H2-,30,31,32,33,34,35,36);/q;+1/p-1


name: sodium 2-(2-dodecyloxyethoxy)ethyl sulphate
cas: 3088-31-1
chemspiderid: 17317
formula: C16H34O6S1
inchikey: CJWXGVNXFJTQFT-UHFFFAOYSA-N
norman_susdat_id: NS00005253
pubchem_cid: 18336
smiles: CCCCCCCCCCCCOCCOCCOS(O)(=O)=O
inchi:
InChI=1S/C16H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19/h2-16H2,1H3,(H,17,18,19)


name: [isopropylidenedicyclohexane-4,1-diyl]bis(tert-butyl) peroxide
cas: 3088-74-2
dtxsid: DTXSID60184890
formula: C23H44O4
inchikey: RHZOVXIYEDAUDL-UHFFFAOYSA-N
norman_susdat_id: NS00046447
pubchem_cid: 76528
smiles: O(OC(C)(C)C)C1CCC(CC1)C(C)(C)C2CCC(OOC(C)(C)C)CC2
inchi:
InChI=1/C23H44O4/c1-21(2,3)26-24-19-13-9-17(10-14-19)23(7,8)18-11-15-20(16-12-18)25-27-22(4,5)6/h17-20H,9-16H2,1-8H3


name: Sufugolix
cas: 308831-61-0
dtxsid: DTXSID40184893
formula: C36H31F2N5O4S
inchikey: UCQSBGOFELXYIN-UHFFFAOYSA-N
norman_susdat_id: NS00069390
pubchem_cid: 3038517
smiles: CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1
inchi:
InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)


name: Cefcanel
cas: 30885-77-9
chemspiderid: 61920
dtxsid: DTXSID00866067
formula: C19H18N4O5S3
inchikey: VDFFPBOAOLQAJV-SUYBPPKGSA-N
norman_susdat_id: NS00011590
pubchem_cid: 68666
smiles: Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)O)SC2)C(=O)O
inchi:
InChI=1S/C19H18N4O5S3/c1-9-21-22-19(31-9)30-8-11-7-29-17-12(16(26)23(17)13(11)18(27)28)20-15(25)14(24)10-5-3-2-4-6-10/h2-6,12,14,17,24H,7-8H2,1H3,(H,20,25)(H,27,28)/t12-,14-,17-/m1/s1


name: 4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-ol
cas: 30886-09-0
dtxsid: DTXSID10275343
formula: C15H9Cl2N3O
inchikey: IOOPJAOQXWQJLY-UHFFFAOYSA-N
norman_susdat_id: NS00096595
smiles: C1=CC(=CC=C1C2=NC(=O)N=C(N2)C3=CC=C(C=C3)Cl)Cl
inchi:
InChI=1S/C15H9Cl2N3O/c16-11-5-1-9(2-6-11)13-18-14(20-15(21)19-13)10-3-7-12(17)8-4-10/h1-8H,(H,18,19,20,21)


name: 4,11-Dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
cas: 3089-16-5
chemspiderid: 68998
dtxsid: DTXSID5051993
formula: C20H10Cl2N2O2
inchikey: BFEJTCHFLJECJN-UHFFFAOYSA-N
norman_susdat_id: NS00007930
pubchem_cid: 76529
smiles: Clc1cccc2c1[nH]c1cc3c(cc1c2=O)[nH]c1c(Cl)cccc1c3=O
inchi:
InChI=1S/C20H10Cl2N2O2/c21-13-5-1-3-9-17(13)23-15-8-12-16(7-11(15)19(9)25)24-18-10(20(12)26)4-2-6-14(18)22/h1-8H,(H,23,25)(H,24,26)


name: Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,12-dihydro-
cas: 3089-17-6
chemspiderid: 68999
dtxsid: DTXSID1029253
formula: C20H10Cl2N2O2
inchikey: XPZQBGDNVOHQIS-UHFFFAOYSA-N
norman_susdat_id: NS00002102
pubchem_cid: 76530
smiles: Clc1ccc2[nH]c3cc4c(cc3c(=O)c2c1)[nH]c1ccc(Cl)cc1c4=O
inchi:
InChI=1S/C20H10Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)


name: N-(beta-(2-Methacryloxyacetamido)ethyl)ethylene urea
cas: 3089-23-4
chemspiderid: 69002
dtxsid: DTXSID60184895
formula: C11H17N3O4
inchikey: BMMZGRLRFPSWKY-UHFFFAOYSA-N
norman_susdat_id: NS00028991
pubchem_cid: 76533
smiles: CC(=C)C(=O)OCC(=O)NCCN1CCNC1=O
inchi:
InChI=1S/C11H17N3O4/c1-8(2)10(16)18-7-9(15)12-3-5-14-6-4-13-11(14)17/h1,3-7H2,2H3,(H,12,15)(H,13,17)


name: Benzyl octyl adipate
cas: 3089-55-2
chemspiderid: 69003
dtxsid: DTXSID20184896
formula: C21H32O4
inchikey: DECACTMEFWAFRE-UHFFFAOYSA-N
norman_susdat_id: NS00015711
pubchem_cid: 76534
smiles: CCCCCCCCOC(=O)CCCCC(=O)OCC1=CC=CC=C1
inchi:
InChI=1S/C21H32O4/c1-2-3-4-5-6-12-17-24-20(22)15-10-11-16-21(23)25-18-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3


name: S-(((2-Carboxy-2-hydroxyethyl)sulphonyl)methyl)-L-cysteine
cas: 30892-74-1
chemspiderid: 21229704
dtxsid: DTXSID80184897
formula: C7H13N1O7S2
inchikey: FUSRIFABMMOUAA-ROLXFIACSA-N
norman_susdat_id: NS00028992
pubchem_cid: 56841924
smiles: NC(CSCS(=O)(=O)CC(O)C(=O)O)C(=O)O
inchi:
InChI=1S/C7H13NO7S2/c8-4(6(10)11)1-16-3-17(14,15)2-5(9)7(12)13/h4-5,9H,1-3,8H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1


name: 4-Hydroxyalprazolam
cas: 30896-57-2
chemspiderid: 158315
formula: C17H13Cl1N4O1
inchikey: CEYGCFLPQFNPST-UHFFFAOYSA-N
norman_susdat_id: NS00017552
pubchem_cid: 182017
smiles: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
inchi:
InChI=1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3


name: Lauric acid, ester with hydroxypropanediyl diacetate
cas: 30899-62-8
dtxsid: DTXSID40892421
formula: C19H34O6
inchikey: NBMAHNZMRSQCPG-UHFFFAOYSA-N
norman_susdat_id: NS00049247
pubchem_cid: 169212
smiles: O=C(OCC(OC(=O)C)COC(=O)CCCCCCCCCCC)C
inchi:
InChI=1/C19H34O6/c1-4-5-6-7-8-9-10-11-12-13-19(22)24-15-18(25-17(3)21)14-23-16(2)20/h18H,4-15H2,1-3H3


name: Aldrin
cas: 309-00-2
chebiid: CHEBI:2564
chemspiderid: 10292747
dtxsid: DTXSID8020040
formula: C12H8Cl6
inchikey: QBYJBZPUGVGKQQ-SJJAEHHWSA-N
norman_susdat_id: NS00098500
pubchem_cid: 12310947
smiles: ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
eea_notation: CAS_309-00-2
inchi:
InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-


name: Doxapram
cas: 309-29-5
chebiid: CHEBI:681848
chemspiderid: 3044
dtxsid: DTXSID2022963
formula: C24H30N2O2
inchikey: XFDJYSQDBULQSI-UHFFFAOYSA-N
norman_susdat_id: NS00001120
pubchem_cid: 3156
smiles: CCN1CC(CCN2CCOCC2)C(C1=O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3


name: Methohexital sodium
cas: 309-36-4
chebiid: CHEBI:6834
formula: C14H18N2O3.Na
inchikey: KDXZREBVGAGZHS-UHFFFAOYSA-M
norman_susdat_id: NS00079452
smiles: [Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O
inchi:
InChI=1/C14H18N2O3.Na/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18;/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19);/q;+1/p-1


name: Secobarbital sodium
cas: 309-43-3
formula: C12H18N2O3.Na
inchikey: AXXJTNXVUHVOJW-UHFFFAOYSA-M
norman_susdat_id: NS00079276
smiles: [Na+].CCCC(C)C1(CC=C)C(=O)NC(=NC1=O)[O-]
inchi:
InChI=1/C12H18N2O3.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1


name: Bis[3-(trimethoxysilyl)propyl] maleate
cas: 3090-21-9
formula: C16H32O10Si2
inchikey: GPWPWELMLCKXRP-KTKRTIGZSA-N
norman_susdat_id: NS00046996
pubchem_cid: 6436333
smiles: O=C(OCCC[Si](OC)(OC)OC)C=CC(=O)OCCC[Si](OC)(OC)OC
inchi:
InChI=1/C16H32O10Si2/c1-19-27(20-2,21-3)13-7-11-25-15(17)9-10-16(18)26-12-8-14-28(22-4,23-5)24-6/h9-10H,7-8,11-14H2,1-6H3


name: Tributyl(oleoyloxy)stannane
cas: 3090-35-5
formula: C30H60O2Sn
inchikey: VAFVPAKNJFBOFX-HKIWRJGFSA-M
norman_susdat_id: NS00046997
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H34O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h9-10H,2-8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H60O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(31)32-33(27-10-6-2,28-11-7-3)29-12-8-4/h18-19H,5-17,20-29H2,1-4H3


name: Tributyl(lauroyloxy)stannane
cas: 3090-36-6
dtxsid: DTXSID50184905
formula: C24H50O2Sn
inchikey: HFFZSMFXOBHQLV-UHFFFAOYSA-M
norman_susdat_id: NS00045731
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/C12H24O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-4-2;/h2-11H2,1H3,(H,13,14);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC24H50O2Sn/c1-5-9-13-14-15-16-17-18-19-20-24(25)26-27(21-10-6-2,22-11-7-3)23-12-8-4/h5-23H2,1-4H3


name: 1-(dodecylbenzyl)pyridinium chloride
cas: 30901-67-8
dtxsid: DTXSID10895126
formula: C24H36N
inchikey: RZOHTMUSTQPAEP-UHFFFAOYSA-M
norman_susdat_id: NS00049845
pubchem_cid: 18615810
smiles: [Cl-].C=1C=C[N+](=CC1)CC=2C=CC=CC2CCCCCCCCCCCC
inchi:
InChI=1/C24H36N.ClH/c1-2-3-4-5-6-7-8-9-10-12-17-23-18-13-14-19-24(23)22-25-20-15-11-16-21-25;/h11,13-16,18-21H,2-10,12,17,22H2,1H3;1H/q+1;/p-1


cas: 30906-38-8
dtxsid: DTXSID90953076
formula: C13H12N2O4S3
inchikey: LDIQMRFGJSIDCT-UHFFFAOYSA-N
norman_susdat_id: NS00049854
pubchem_cid: 57377052
smiles: O=C(O)CN1C(=O)C(SC1=S)=C2SC=3C(=O)CCCC3N2C
name:
4-oxo-5-(4,5,6,7-tetrahydro-3-methyl-7-oxobenzothiazol-2(3H)-ylidene)-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C13H12N2O4S3/c1-14-6-3-2-4-7(16)9(6)21-12(14)10-11(19)15(5-8(17)18)13(20)22-10/h2-5H2,1H3,(H,17,18)


name: 2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethyl decanoate
cas: 30909-51-4
dtxsid: DTXSID10897160
formula: C33H43F3N2O2S
inchikey: UIKWDDSLMBHIFT-UHFFFAOYSA-N
norman_susdat_id: NS00049855
pubchem_cid: 3032886
smiles: O=C(OCCN1CCN(CCC=C2C=3C=CC=CC3SC4=CC=C(C=C42)C(F)(F)F)CC1)CCCCCCCCC
inchi:
InChI=1/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3


name: Trichlorooctylstannane
cas: 3091-25-6
dtxsid: DTXSID3029659
formula: C8H17Cl3Sn
inchikey: INTLMJZQCBRQAT-UHFFFAOYSA-K
norman_susdat_id: NS00046998
pubchem_cid: NA
smiles: Cl[Sn](Cl)(Cl)CCCCCCCC
inchi:
InChI=1/C8H17.3ClH.Sn/c1-3-5-7-8-6-4-2;;;;/h1,3-8H2,2H3;3*1H;/q;;;;+3/p-3/rC8H17Cl3Sn/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3


name: Chlorotricyclohexylstannane
cas: 3091-32-5
dtxsid: DTXSID5062845
formula: C18H33ClSn
inchikey: OJVZYIKTLISAIH-UHFFFAOYSA-M
norman_susdat_id: NS00046448
pubchem_cid: NA
smiles: Cl[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3
inchi:
InChI=1/3C6H11.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H;/q;;;;+1/p-1/rC18H33ClSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2


name: Diethylgallium chloride
cas: 30914-08-0
formula: C4H10ClGa
inchikey: NVPKNAWBPMTMLA-UHFFFAOYSA-M
norman_susdat_id: NS00084275
smiles: [Cl-].CC[Ga+]CC
inchi:
InChI=1/2C2H5.ClH.Ga/c2*1-2;;/h2*1H2,2H3;1H;/q;;;+1/p-1/rC4H10Ga.ClH/c1-3-5-4-2;/h3-4H2,1-2H3;1H/q+1;/p-1


name: Midodrine hydrochloride
cas: 3092-17-9
chebiid: CHEBI:31847
dtxsid: DTXSID1047493
formula: C12H19ClN2O4
inchikey: MGCQZNBCJBRZDT-UHFFFAOYSA-N
norman_susdat_id: NS00076195
smiles: Cl.COC1=CC=C(OC)C(=C1)C(O)CNC(=O)CN
inchi:
InChI=1/C12H18N2O4.ClH/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13;/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16);1H


name: 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoic acid
cas: 30926-22-8
dtxsid: DTXSID90885489
formula: C17H14N4O3
inchikey: RCYTWTBFGNSMQC-UHFFFAOYSA-N
norman_susdat_id: NS00049917
pubchem_cid: 35686
smiles: O=C(O)C1=CC=C(N=NC2C(=O)N(N=C2C)C=3C=CC=CC3)C=C1
inchi:
InChI=1/C17H14N4O3/c1-11-15(16(22)21(20-11)14-5-3-2-4-6-14)19-18-13-9-7-12(8-10-13)17(23)24/h2-10,15H,1H3,(H,23,24)


name: Halcinonide
cas: 3093-35-4
chebiid: CHEBI:31663
chemspiderid: 391997
dtxsid: DTXSID6045375
formula: C24H32Cl1F1O5
inchikey: MUQNGPZZQDCDFT-JNQJZLCISA-N
norman_susdat_id: NS00008730
pubchem_cid: 443943
smiles: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CCl
inchi:
InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1


name: Doxifluridine
cas: 3094-09-5
chebiid: CHEBI:31521
dtxsid: DTXSID2022967
formula: C9H11FN2O5
inchikey: ZWAOHEXOSAUJHY-ZIYNGMLESA-N
norman_susdat_id: NS00046999
pubchem_cid: 18343
smiles: O=C1NC(=O)N(C=C1F)C2OC(C)C(O)C2O
inchi:
InChI=1/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)


name: Nickel(2+) diethyl bis[[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]phosphonate]
cas: 30947-30-9
formula: C17H29O4P.1/2Ni
inchikey: WBSRIXCTCFFHEF-UHFFFAOYSA-N
norman_susdat_id: NS00083888
smiles: CCOP(=O)(O)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)


name: 4H-3a,7-Methanoazulen-4-one, 1,2,3,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3R,3aR,7S,8aS)-
cas: 30960-39-5
chemspiderid: 8352306
dtxsid: DTXSID60885491
formula: C15H22O1
inchikey: BGDCOEHXBFJKSF-UHFFFAOYSA-N
norman_susdat_id: NS00012085
pubchem_cid: 10176801
smiles: C[C@@H]1CC[C@H]2C(C)(C)[C@H]3CC12C(=O)C=C3C
inchi:
InChI=1S/C15H22O/c1-9-7-13(16)15-8-11(9)14(3,4)12(15)6-5-10(15)2/h7,10-12H,5-6,8H2,1-4H3/t10-,11+,12+,15?/m1/s1


name: 1,5-Dicaffeoylquinic acid
cas: 30964-13-7
chebiid: CHEBI:520
chemspiderid: 4445082
dtxsid: DTXSID0050423
formula: C25H24O12
inchikey: YDDUMTOHNYZQPO-RVXRWRFUSA-N
norman_susdat_id: NS00007039
pubchem_cid: 5281769
smiles: O[C@@H]1C[C@](C[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)[C@H]1O)(OC(=O)C=Cc1ccc(O)c(O)c1)C(O)=O
inchi:
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1


name: 2-(heptadecenyl)-4,5-dihydro-1H-imidazole
cas: 30968-43-5
dtxsid: DTXSID5048053
formula: C20H38N2
inchikey: WTWXRUVQOJGXHP-UHFFFAOYSA-N
norman_susdat_id: NS00050620
pubchem_cid: 53423371
smiles: N1=C(C=CCCCCCCCCCCCCCCC)NCC1
inchi:
InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h16-17H,2-15,18-19H2,1H3,(H,21,22)


name: Calcium bis(nonylphenolate)
cas: 30977-64-1
formula: C15H24O.1/2Ca
inchikey: MNLGVQYZYLJHCW-UHFFFAOYSA-L
norman_susdat_id: NS00084276
smiles: [Ca+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C15H24O.Ca/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2


name: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl phenylacetate
cas: 30982-35-5
dtxsid: DTXSID60865576
formula: C19H24O2
inchikey: FPJNFQPRCFYLDD-UHFFFAOYSA-N
norman_susdat_id: NS00049312
pubchem_cid: 161684
smiles: O=C(OCCC1=CCC2CC1C2(C)C)CC=3C=CC=CC3
inchi:
InChI=1/C19H24O2/c1-19(2)16-9-8-15(17(19)13-16)10-11-21-18(20)12-14-6-4-3-5-7-14/h3-8,16-17H,9-13H2,1-2H3


name: 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl cinnamate
cas: 30982-36-6
dtxsid: DTXSID10953114
formula: C20H24O2
inchikey: STMQAGGBZBGMNQ-DHZHZOJOSA-N
norman_susdat_id: NS00049919
pubchem_cid: 56841972
smiles: O=C(OCCC1=CCC2CC1C2(C)C)C=CC=3C=CC=CC3
inchi:
InChI=1/C20H24O2/c1-20(2)17-10-9-16(18(20)14-17)12-13-22-19(21)11-8-15-6-4-3-5-7-15/h3-9,11,17-18H,10,12-14H2,1-2H3


name: Thiazolidine-2,4-dicarboxylic, acid compound with L-arginine (1:1)
cas: 30986-62-0
formula: C6H14N4O2.C5H7NO4S
inchikey: LUCWYYXUZVULSK-WCCKRBBISA-N
norman_susdat_id: NS00083889
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSC(N1)C(=O)O
inchi:
InChI=1/C6H14N4O2.C5H7NO4S/c7-4(5(11)12)2-1-3-10-6(8)9;7-4(8)2-1-11-3(6-2)5(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,6H,1H2,(H,7,8)(H,9,10)


name: Tris(2-(2-(2-methoxyethoxy)ethoxy)ethyl) orthoborate
cas: 30989-05-0
chemspiderid: 21229712
dtxsid: DTXSID40184974
formula: C21H45B1O12
inchikey: BYRJZJXBVKUYFH-UHFFFAOYSA-N
norman_susdat_id: NS00007036
pubchem_cid: 14402222
smiles: COCCOCCOCCOB(OCCOCCOCCOC)OCCOCCOCCOC
inchi:
InChI=1S/C21H45BO12/c1-23-4-7-26-10-13-29-16-19-32-22(33-20-17-30-14-11-27-8-5-24-2)34-21-18-31-15-12-28-9-6-25-3/h4-21H2,1-3H3


name: Tris[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] borate
cas: 30989-07-2
dtxsid: DTXSID00184975
formula: C24H51BO12
inchikey: YFJWCDDEPLQFDW-UHFFFAOYSA-N
norman_susdat_id: NS00049920
pubchem_cid: 16205057
smiles: O(B(OCCOCCOCCOCC)OCCOCCOCCOCC)CCOCCOCCOCC
inchi:
InChI=1/C24H51BO12/c1-4-26-7-10-29-13-16-32-19-22-35-25(36-23-20-33-17-14-30-11-8-27-5-2)37-24-21-34-18-15-31-12-9-28-6-3/h4-24H2,1-3H3


name: Talmapimod
cas: 309913-83-5
chebiid: CHEBI:90683
dtxsid: DTXSID10953119
formula: C27H30ClFN4O3
inchikey: ZMELOYOKMZBMRB-DLBZAZTESA-N
norman_susdat_id: NS00072037
pubchem_cid: 9871074
smiles: C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1Cc1ccc(F)cc1
inchi:
InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1


name: D-mannitol monooleate
cas: 30997-91-2
formula: C24H46O7
inchikey: WERKSKAQRVDLDW-MGMRWDBRSA-N
norman_susdat_id: NS00083898
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h9-10,20-21,23-27,29-30H,2-8,11-19H2,1H3


name: Tocophersolan
cas: 30999-06-5
chebiid: CHEBI:176233
chemspiderid: 64498
dtxsid: DTXSID1048623
formula: C35H58O6
inchikey: AOBORMOPSGHCAX-UHFFFAOYSA-N
norman_susdat_id: NS00014159
pubchem_cid: 71406
smiles: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)CCC(=O)OCCO)c(C)c(C)c2O1
inchi:
InChI=1S/C35H58O6/c1-24(2)12-9-13-25(3)14-10-15-26(4)16-11-20-35(8)21-19-30-29(7)33(27(5)28(6)34(30)41-35)40-32(38)18-17-31(37)39-23-22-36/h24-26,36H,9-23H2,1-8H3


name: Obacunone
cas: 310-75-1
chebiid: CHEBI:7713
chemspiderid: NA
formula: C26H30O7
inchikey: MAYJEFRPIKEYBL-OASIGRBWSA-N
norman_susdat_id: NS00015858
pubchem_cid: 119041
smiles: CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
inchi:
InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1


name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-1,3-phenylene ester
cas: 31001-73-7
chemspiderid: 148012
dtxsid: DTXSID7067586
formula: C33H18N4O9S2
inchikey: RVUFIAZZLHJNJS-UHFFFAOYSA-N
norman_susdat_id: NS00029008
pubchem_cid: 169229
inchi:
InChI=1S/C33H18N4O9S2/c34-36-26-16-14-21-23(32(26)39)8-4-10-29(21)47(41,42)45-20-12-13-25(31(38)19-6-2-1-3-7-19)28(18-20)46-48(43,44)30-11-5-9-24-22(30)15-17-27(37-35)33(24)40/h1-18H

smiles:
[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2cc(OS(=O)(=O)c3cccc4c3C=CC(=[N+]=[N-])C4=O)c(cc2)C(=O)c2ccccc2)C1=O


name: Triamcinolone benetonide
cas: 31002-79-6
chebiid: CHEBI:135852
formula: C35H42FNO8
inchikey: GUYPYYARYIIWJZ-CYEPYHPTSA-N
norman_susdat_id: NS00049936
pubchem_cid: 62963
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)C(C)CNC(=O)C=6C=CC=CC6)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C35H42FNO8/c1-20(18-37-29(41)21-9-7-6-8-10-21)30(42)43-19-27(40)35-28(44-31(2,3)45-35)16-25-24-12-11-22-15-23(38)13-14-32(22,4)34(24,36)26(39)17-33(25,35)5/h6-10,13-15,20,24-26,28,39H,11-12,16-19H2,1-5H3,(H,37,41)


name: Cadmium dodecylbenzenesulphonate
cas: 31017-44-4
formula: C18H30O3S.1/2Cd
inchikey: GKNATLRKQMQIFQ-UHFFFAOYSA-L
norman_susdat_id: NS00083899
smiles: [Cd+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C18H30O3S.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h2*12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;;+2/p-2


name: (S)-2-acetamido-3-(p-hydroxyphenyl)-N-(p-nitrophenyl)propionamide
cas: 3102-08-7
formula: C17H18N3O5
inchikey: QATYPERFLZVAKG-INIZCTEOSA-N
norman_susdat_id: NS00045336
pubchem_cid: 102269342
smiles: O=C(NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(O)C=C2)C
inchi:
InChI=1/C17H17N3O5/c1-11(21)18-16(10-12-2-8-15(22)9-3-12)17(23)19-13-4-6-14(7-5-13)20(24)25/h2-9,16,22H,10H2,1H3,(H,18,21)(H,19,23)


name: N-Acetylsphingosine
cas: 3102-57-6
chebiid: CHEBI:46979
chemspiderid: 118577
formula: C20H39N1O3
inchikey: BLTCBVOJNNKFKC-QUDYQQOWSA-N
norman_susdat_id: NS00015171
pubchem_cid: 5497136
smiles: CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C)O
inchi:
InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20+/m0/s1


name: 1H,1H,2H,2H-Perfluorodecylmethyldichlorosilane
cas: 3102-79-2
dtxsid: DTXSID00184995
formula: C11H7Cl2F17Si
inchikey: PVBMWIXRKLGXPI-UHFFFAOYSA-N
norman_susdat_id: NS00108777
smiles: C[Si](Cl)(Cl)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H7Cl2F17Si/c1-31(12,13)3-2-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h2-3H2,1H3


name: N-(tert-butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine, compound with dicyclohexylamine (1:1)
cas: 31025-14-6
dtxsid: DTXSID20184997
formula: C16H23NO5S
inchikey: BZDPSPDPBHDNAR-ZOWNYOTGSA-N
norman_susdat_id: NS00049376
pubchem_cid: 333432
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CSCC1=CC=C(OC)C=C1.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C16H23NO5S.C12H23N/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2


name: Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-(2-phenoxyethyl)-
cas: 31030-27-0
chemspiderid: 142010
dtxsid: DTXSID6067591
formula: C22H21Cl1N4O3
inchikey: FPZLDEMJTIKTJQ-UHFFFAOYSA-N
norman_susdat_id: NS00029013
pubchem_cid: 161687
smiles: CCN(CCOc1ccccc1)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C22H21ClN4O3/c1-2-26(14-15-30-20-6-4-3-5-7-20)18-10-8-17(9-11-18)24-25-22-13-12-19(27(28)29)16-21(22)23/h3-13,16H,2,14-15H2,1H3/b25-24-


name: 2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-p-tolyl)butyramide
cas: 31037-84-0
dtxsid: DTXSID50865580
formula: C27H37Cl2NO3
inchikey: GRPPLTVZUQVNQK-UHFFFAOYSA-N
norman_susdat_id: NS00049377
pubchem_cid: 161688
smiles: O=C(NC1=CC(Cl)=C(C(Cl)=C1O)C)C(OC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)CC
inchi:
InChI=1/C27H37Cl2NO3/c1-9-21(25(32)30-20-15-19(28)16(4)23(29)24(20)31)33-22-13-12-17(26(5,6)10-2)14-18(22)27(7,8)11-3/h12-15,21,31H,9-11H2,1-8H3,(H,30,32)


name: Hycanthone
cas: 3105-97-3
chebiid: CHEBI:52768
chemspiderid: 3508
dtxsid: DTXSID9023128
formula: C20H24N2O2S1
inchikey: MFZWMTSUNYWVBU-UHFFFAOYSA-N
norman_susdat_id: NS00029016
pubchem_cid: 3634
smiles: CCN(CC)CCNc1ccc(CO)c2c1c(=O)c1c(s2)cccc1
inchi:
InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3


name: Cholest-5-en-3ß-yl p-nonylphenyl carbonate
cas: 31056-76-5
dtxsid: DTXSID30185016
formula: C43H68O3
inchikey: UUWUIHHEUZZYGW-FJMRLGANSA-N
norman_susdat_id: NS00049965
pubchem_cid: 56841765
smiles: O=C(OC1=CC=C(C=C1)CCCCCCCCC)OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCCC(C)C)C3(C)CC2
inchi:
InChI=1/C43H68O3/c1-7-8-9-10-11-12-13-17-33-18-21-35(22-19-33)45-41(44)46-36-26-28-42(5)34(30-36)20-23-37-39-25-24-38(32(4)16-14-15-31(2)3)43(39,6)29-27-40(37)42/h18-22,31-32,36-40H,7-17,23-30H2,1-6H3


name: N-Acetyl-1-aspartylglutamic acid
cas: 3106-85-2
chebiid: CHEBI:95120
formula: C11H16N2O8
inchikey: OPVPGKGADVGKTG-UHFFFAOYSA-N
norman_susdat_id: NS00096397
smiles: CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
inchi:
InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)


name: [2-(diphenylmethoxy)ethyl]trimethylammonium bromide
cas: 31065-89-1
formula: C18H24NO.Br
inchikey: BDQPXVWYFLTETB-UHFFFAOYSA-M
norman_susdat_id: NS00083639
smiles: [Br-].C[N+](C)(C)CCOC(c1ccccc1)c2ccccc2
inchi:
InChI=1/C18H24NO.BrH/c1-19(2,3)14-15-20-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1


name: 2,4-Dibromophenyl diphenyl phosphate
cas: 31066-45-2
chemspiderid: 2283659
dtxsid: DTXSID40185022
formula: C18H13Br2O4P1
inchikey: WMEJWPBOSMFMII-UHFFFAOYSA-N
norman_susdat_id: NS00029017
pubchem_cid: 3015532
smiles: Brc1cc(Br)c(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
inchi:
InChI=1S/C18H13Br2O4P/c19-14-11-12-18(17(20)13-14)24-25(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-13H


name: Cyclohexanesulfonic acid, undecafluoro-, potassium salt (TSCA, DSL, AICS)
cas: 3107-18-4
chemspiderid: 69018
formula: C6H1F11O3S1
inchikey: VFOJXEHRTNGBDB-UHFFFAOYSA-N
norman_susdat_id: NS00011419
pubchem_cid: 76553
smiles: O=[S]([O-])(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
inchi:
InChI=1S/C6HF11O3S.K/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12;/h(H,18,19,20);/q;+1/p-1


name: Disodium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl phosphate
cas: 3107-32-2
chemspiderid: NA
dtxsid: DTXSID30880190
formula: C7H5F12O4P1
inchikey: ZBVFRKIRSUMGIK-UHFFFAOYSA-N
norman_susdat_id: NS00018929
pubchem_cid: NA
smiles: [Na+].[Na+].OP(O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C7H5F12O4P/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-23-24(20,21)22/h2H,1H2,(H2,20,21,22)


name: Isovaltrate
cas: 31078-10-1
chebiid: CHEBI:80745
chemspiderid: 8652730
dtxsid: DTXSID80185026
formula: C22H30O8
inchikey: XLACUABANMZLCJ-KVJIRVJXSA-N
norman_susdat_id: NS00029018
pubchem_cid: 92275
smiles: CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)C)[C@@]12CO1
inchi:
InChI=1S/C22H30O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3/t17-,20?,21-,22+/m0/s1


name: Ethyl perfluorooctanoate
cas: 3108-24-5
chemspiderid: 69021
dtxsid: DTXSID5062849
formula: C10H5F15O2
inchikey: JTOFFHFAQBLPTM-UHFFFAOYSA-N
norman_susdat_id: NS00018930
pubchem_cid: 76555
smiles: CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3


name: Ammonium nonadecafluorodecanoate
cas: 3108-42-7
formula: C10HF19O2.H3N
inchikey: CQLZEWXXRJJDKG-UHFFFAOYSA-N
norman_susdat_id: NS00081436
smiles: [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10HF19O2.H3N/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29;/h(H,30,31);1H3


name: N-[o-(o-fluorobenzoyl)phenyl]-p-toluenesulphonamide
cas: 3109-35-1
dtxsid: DTXSID50953193
formula: C20H16FNO3S
inchikey: ZNDPAUWIWUGTNC-UHFFFAOYSA-N
norman_susdat_id: NS00045987
pubchem_cid: 76556
smiles: O=C(C=1C=CC=CC1F)C=2C=CC=CC2NS(=O)(=O)C3=CC=C(C=C3)C
inchi:
InChI=1/C20H16FNO3S/c1-14-10-12-15(13-11-14)26(24,25)22-19-9-5-3-7-17(19)20(23)16-6-2-4-8-18(16)21/h2-13,22H,1H3


name: Perfluorotributylamine
cas: 311-89-7
chebiid: CHEBI:38854
chemspiderid: 13836523
dtxsid: DTXSID0027141
formula: C12F27N1
inchikey: RVZRBWKZFJCCIB-UHFFFAOYSA-N
norman_susdat_id: NS00011157
pubchem_cid: 9397
smiles: FC(N(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
inchi:
InChI=1S/C12F27N/c13-1(14,7(25,26)27)4(19,20)10(34,35)40(11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33


name: 1H-Indole-2,3-dione 3-((4-nitrophenyl)hydrazone)
cas: 31107-06-9
chemspiderid: 4529348
dtxsid: DTXSID40185047
formula: C14H10N4O3
inchikey: NUCUIOZKXRGHSW-UHFFFAOYSA-N
norman_susdat_id: NS00029022
pubchem_cid: 5381370
smiles: [O-][N+](=O)c1ccc(NNC2=c3ccccc3=NC2=O)cc1
inchi:
InChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,16H,(H,15,17,19)


cas: 31107-36-5
chemspiderid: 142014
dtxsid: DTXSID6067595
formula: C44H30N6O4
inchikey: NFAVIZJKOVSCKV-UHFFFAOYSA-N
norman_susdat_id: NS00020633
pubchem_cid: 161693
smiles: O=C=Nc1ccc(Cc2ccc(cc2)N=C2N(C(=O)N2c2ccc(Cc3ccc(cc3)N=C=O)cc2)c2ccc(Cc3ccc(cc3)N=C=O)cc2)cc1
name:
1,3-Diazetidin-2-one, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-4-[[4-[(4-isocyanatophenyl)methyl]phenyl]imino]-

inchi:
InChI=1S/C44H30N6O4/c51-28-45-37-13-1-31(2-14-37)25-34-7-19-40(20-8-34)48-43-49(41-21-9-35(10-22-41)26-32-3-15-38(16-4-32)46-29-52)44(54)50(43)42-23-11-36(12-24-42)27-33-5-17-39(18-6-33)47-30-53/h1-24H,25-27H2


name: 10-methoxy-13-methyl-7-oxo-7H-benzimidazo[2,1-a]benz[de]isoquinolinium chloride
cas: 31107-39-8
formula: C20H15N2O2.Cl
inchikey: KHZZVJQGGQKUIZ-UHFFFAOYSA-M
norman_susdat_id: NS00084331
smiles: [Cl-].COc1ccc2c(c1)[n+]3C(=O)c4cccc5cccc(c3n2C)c45
inchi:
InChI=1/C20H15N2O2.ClH/c1-21-16-10-9-13(24-2)11-17(16)22-19(21)14-7-3-5-12-6-4-8-15(18(12)14)20(22)23;/h3-11H,1-2H3;1H/q+1;/p-1


cas: 31107-44-5
chemspiderid: 32870
dtxsid: DTXSID0052702
formula: C14H4Cl12O1
inchikey: CDBKZZACXQLFMK-UHFFFAOYSA-N
norman_susdat_id: NS00002190
pubchem_cid: 35733
smiles: ClC1=C(Cl)C2(Cl)C3C(OC4C3C3(Cl)C(Cl)=C(Cl)C4(Cl)C3(Cl)Cl)C1(Cl)C2(Cl)Cl
name:
1,2,3,4,6,7,8,9,10,10,11,11-dodecachloro-1,4,4a,5a,6,9,9a,9b-octahydro-1,4:6,9-dimethanodibenzofuran

inchi:
InChI=1S/C14H4Cl12O/c15-3-5(17)11(21)7-1(9(3,19)13(11,23)24)2-8(27-7)12(22)6(18)4(16)10(2,20)14(12,25)26/h1-2,7-8H


name: 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine monomethanesulphonate
cas: 3111-70-4
formula: C20H24ClN3S.CH4O3S
inchikey: WLFCZUKGFJNFQY-UHFFFAOYSA-N
norman_susdat_id: NS00082076
smiles: CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O
inchi:
InChI=1/C20H24ClN3S.CH4O3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;1H3,(H,2,3,4)


name: Metrizamide
cas: 31112-62-6
chebiid: CHEBI:31841
chemspiderid: 391998
dtxsid: DTXSID1023310
formula: C18H22I3N3O8
inchikey: BAQCROVBDNBEEB-UBYUBLNFSA-N
norman_susdat_id: NS00029023
pubchem_cid: 443944
smiles: CN(C(=O)C)c1c(I)c(C(=O)NC2[C@@H](O)OC(CO)[C@@H](O)C2O)c(I)c(NC(=O)C)c1I
inchi:
InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18+/m1/s1


name: Isofenphos-oxon
cas: 31120-85-1
chemspiderid: 32873
formula: C15H24N1O5P1
inchikey: DZUPKTNAUCDVTL-UHFFFAOYSA-N
norman_susdat_id: NS00001153
pubchem_cid: 35736
smiles: CCOP(=O)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
inchi:
InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)


name: Ibuprofen sodium
cas: 31121-93-4
dtxsid: DTXSID4040501
formula: C13H17NaO2
inchikey: PTTPUWGBPLLBKW-UHFFFAOYSA-M
norman_susdat_id: NS00076306
smiles: [Na+].CC(C)CC1=CC=C(C=C1)C(C)C([O-])=O
inchi:
InChI=1/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1


name: Disodium 2-heptadecyl-1-[(sulphonatophenyl)methyl]-1H-benzimidazolesulphonate
cas: 31135-57-6
formula: C31H46N2O6S2.2Na
inchikey: XHUVXHCGXQEGLG-UHFFFAOYSA-L
norman_susdat_id: NS00084302
smiles: CCCCCCCCCCCCCCCCCc1nc2ccccc2n1Cc3cc(cc(c3)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C31H46N2O6S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-32-29-19-17-18-20-30(29)33(31)25-26-22-27(40(34,35)36)24-28(23-26)41(37,38)39;;/h17-20,22-24H,2-16,21,25H2,1H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/rC31H44N2Na2O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-32-29-19-17-18-20-30(29)33(31)25-26-22-27(42(36,37)40-34)24-28(23-26)43(38,39)41-35/h17-20,22-24H,2-16,21,25H2,1H3


name: Lyoniol A
cas: 31136-61-5
chemspiderid: 161699
formula: C22H34O7
inchikey: IONWCZKSTMAXMV-CRRNJOFASA-N
norman_susdat_id: NS00093898
pubchem_cid: 21251108
smiles:
CC(=O)O[C@@H]1[C@H]([C@]2([C@@H]([C@H]3[C@@H](C2(C)C)O3)[C@]([C@H]4[C@]15C[C@@H](CC4)[C@](C5)(C)O)(C)O)O)O


name: a,a-dimethyl-p-phenylbenzyl hydrogen carbonate , ester with methyl p-hydroxybenzoate
cas: 31140-37-1
formula: C24H22O5
inchikey: PXYPBZYXNPAGFW-UHFFFAOYSA-N
norman_susdat_id: NS00049349
pubchem_cid: 4053760
smiles: O=C(OC1=CC=C(C=C1)C(=O)OC)OC(C=2C=CC(=CC2)C=3C=CC=CC3)(C)C
inchi:
InChI=1/C24H22O5/c1-24(2,20-13-9-18(10-14-20)17-7-5-4-6-8-17)29-23(26)28-21-15-11-19(12-16-21)22(25)27-3/h4-16H,1-3H3


name: (2E,6E)-1,1'-oxybis[3,7-dimethylocta-2,6-diene]
cas: 31147-36-1
dtxsid: DTXSID80885493
formula: C20H34O
inchikey: XWRJRXQNOHXIOX-IWGRKNQJSA-N
norman_susdat_id: NS00050664
pubchem_cid: 6441535
smiles: O(CC=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
inchi:
InChI=1/C20H34O/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3


name: [1R-(a,4aß,10aa)]-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonitrile
cas: 31148-95-5
dtxsid: DTXSID40885494
formula: C20H27N
inchikey: KSODEYYYINEFHT-UHFFFAOYSA-N
norman_susdat_id: NS00050665
pubchem_cid: 95346
smiles: N#CC1(C)CCCC2(C3=CC=C(C=C3CCC12)C(C)C)C
inchi:
InChI=1/C20H27N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11H2,1-4H3


name: Acetic acid, 2-(4-nonylphenoxy)- (NP-1EC)
cas: 3115-49-9
chemspiderid: 17357
dtxsid: DTXSID4062850
formula: C17H26O3
inchikey: NISAHDHKGPWBEM-UHFFFAOYSA-N
norman_susdat_id: NS00010522
pubchem_cid: 18380
smiles: CCCCCCCCCc1ccc(cc1)OCC(=O)O
eea_notation: CAS_3115-49-9
inchi:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)20-14-17(18)19/h10-13H,2-9,14H2,1H3,(H,18,19)


name: Methylenebisnaphthalene-2-sulphonic acid
cas: 31154-87-7
formula: C21H16O6S2
inchikey: DQBNLFRFALCILS-UHFFFAOYSA-N
norman_susdat_id: NS00083909
smiles: OS(=O)(=O)c1ccc2ccccc2c1Cc3c(ccc4ccccc34)S(=O)(=O)O
inchi:
InChI=1/C21H16O6S2/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)


name: Dicloxacillin
cas: 3116-76-5
chemspiderid: 2933
dtxsid: DTXSID1022924
formula: C19H17Cl2N3O5S1
inchikey: YFAGHNZHGGCZAX-UHFFFAOYSA-N
norman_susdat_id: NS00009446
pubchem_cid: 3041
smiles: Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl
inchi:
InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)


name: Benzyl myristate
cas: 31161-71-4
chemspiderid: 8461
dtxsid: DTXSID30185091
formula: C21H34O2
inchikey: TUMGCEIAYMZKEM-UHFFFAOYSA-N
norman_susdat_id: NS00029029
pubchem_cid: 3015540
smiles: CCCCCCCCCCCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(22)23-19-20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3


cas: 31175-20-9
dtxsid: DTXSID90897643
norman_susdat_id: NS00112226
name:
Ethanesulfonic acid, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with 1,1,2,2-tetrafluoroethene


cas: 31176-88-2
dtxsid: DTXSID30882831
norman_susdat_id: NS00109967
name:
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-2-[(trifluoroethenyl)oxy]-1-(trifluomethyl)ethoxyl]-, sodium salt, polymer with tetrafluoroethene


name: C.I. Solvent Orange 7
cas: 3118-97-6
chebiid: CHEBI:82534
chemspiderid: 4510640
dtxsid: DTXSID5040706
formula: C18H16N2O1
inchikey: JBTHDAVBDKKSRW-FMQUCBEESA-N
norman_susdat_id: NS00020508
pubchem_cid: NA
smiles: Cc1cc(C)c(N/N=C/2C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-


name: Magnesium bis[D-galacturonate]
cas: 31186-93-3
formula: C6H10O7.1/2Mg
inchi: InChI=1/2C6H10O7.Mg/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*1-5,8-11H,(H,12,13);/q;;+2/p-2
inchikey: IGOLIOYHVTUECC-PDCYBDDKSA-L
norman_susdat_id: NS00084317
smiles:
[Mg+2].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-].O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]


cas: 31188-91-7
chemspiderid: 140801
dtxsid: DTXSID5051995
formula: C34H37Cl3N4O4
inchikey: QDIMMGOJTIUSOA-UHFFFAOYSA-N
norman_susdat_id: NS00029032
pubchem_cid: 160194
smiles: CCC(C)(C)c1cc(c(OCC(=O)Nc2cccc(c2)C(=O)NC2=NN(C(=O)C2)c2c(Cl)cc(Cl)cc2Cl)cc1)C(C)(C)CC
name:
3-({[2,4-Bis(2-methylbutan-2-yl)phenoxy]acetyl}amino)-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide

inchi:
InChI=1S/C34H37Cl3N4O4/c1-7-33(3,4)21-12-13-27(24(15-21)34(5,6)8-2)45-19-29(42)38-23-11-9-10-20(14-23)32(44)39-28-18-30(43)41(40-28)31-25(36)16-22(35)17-26(31)37/h9-17H,7-8,18-19H2,1-6H3,(H,38,42)(H,39,40,44)


name: 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)morpholine
cas: 312-19-6
dtxsid: DTXSID60896204
formula: C12H8F17NO3S
inchikey: VVSMORRIDUQEFJ-UHFFFAOYSA-N
norman_susdat_id: NS00111105
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)S(=O)(=O)N1CCOCC1
inchi:
InChI=1S/C12H8F17NO3S/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)34(31,32)30-1-3-33-4-2-30/h1-4H2


name: Dexamethasone phosphate
cas: 312-93-6
chebiid: CHEBI:68637
chemspiderid: 2277
dtxsid: DTXSID2047430
formula: C22H30F1O8P1
inchikey: VQODGRNSFPNSQE-CXSFZGCWSA-N
norman_susdat_id: NS00015667
pubchem_cid: 9400
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C
inchi:
InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1


name: 2-(Perfluoro-7-methyloctyl)ethanol
cas: 31200-98-3
dtxsid: DTXSID20379886
formula: C11H5F19O
inchikey: RRPJMPARBFYNMD-UHFFFAOYSA-N
norman_susdat_id: NS00109509
smiles: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11H5F19O/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h31H,1-2H2


name: Sodium acenaphthene-5-sulphonate
cas: 31202-24-1
formula: C12H10O3S.Na
inchikey: JRYCCRZEYHRIGD-UHFFFAOYSA-M
norman_susdat_id: NS00083612
smiles: [Na+].[O-]S(=O)(=O)c1ccc2CCc3cccc1c23
inchi:
InChI=1/C12H10O3S.Na/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9;/h1-3,6-7H,4-5H2,(H,13,14,15);/q;+1/p-1


name: Sodium 4-hydroxy-5-(2-hydroxy-p-anisoyl)-2-methoxybenzenesulphonate
cas: 3121-60-6
formula: C15H14O8S
inchikey: NHZIBLPDGIARQC-UHFFFAOYSA-M
norman_susdat_id: NS00046046
pubchem_cid: 76570
smiles: [Na+].O=C(C1=CC=C(OC)C=C1O)C=2C=C(C(OC)=CC2O)S(=O)(=O)[O-]
inchi:
InChI=1/C15H14O8S.Na/c1-22-8-3-4-9(11(16)5-8)15(18)10-6-14(24(19,20)21)13(23-2)7-12(10)17;/h3-7,16-17H,1-2H3,(H,19,20,21);/q;+1/p-1


name: 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid
cas: 3121-74-2
formula: C22H16N6O9S2
inchikey: HKJKONMZMPUGHJ-UHFFFAOYSA-N
norman_susdat_id: NS00081804
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc2c(N)c4c(cc2S(O)(=O)=O)cc(c(N=Nc3ccccc3)c4O)S(O)(=O)=O
inchi:
InChI=1/C22H16N6O9S2/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37)


cas: 31214-91-2
dtxsid: DTXSID40880429
norman_susdat_id: NS00110252
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl ester, homopolymer


name: Octyl-2-naphthol
cas: 31215-05-1
chemspiderid: 2283670
dtxsid: DTXSID20185141
formula: C18H24O1
inchikey: AAZCPESOYPGWEG-UHFFFAOYSA-N
norman_susdat_id: NS00029036
pubchem_cid: 3015545
smiles: CCCCCCCCc1c(O)ccc2c1cccc2
inchi:
InChI=1S/C18H24O/c1-2-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19/h8-11,13-14,19H,2-7,12H2,1H3


name: Eucalyptin
cas: 3122-88-1
chemspiderid: 69039
dtxsid: DTXSID60185145
formula: C19H18O5
inchikey: NHMMAMIRMITGRD-UHFFFAOYSA-N
norman_susdat_id: NS00029040
pubchem_cid: 76573
smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)c(C)c(OC)c(C)c2O
inchi:
InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3


name: Palmitic acid, diester with 5-hydroxy-6-methylpyridine-3,4-dimethanol
cas: 31229-74-0
chemspiderid: 16350660
formula: C40H71N1O5
inchikey: RCYWWJBNPIWJMJ-UHFFFAOYSA-N
norman_susdat_id: NS00022037
pubchem_cid: 17897875
smiles: CCCCCCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1COC(=O)CCCCCCCCCCCCCCC)O)C
inchi:
InChI=1S/C40H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(42)45-33-36-32-41-35(3)40(44)37(36)34-46-39(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h32,44H,4-31,33-34H2,1-3H3


name: Guanosine 5'-diphospho-D-mannose
cas: 3123-67-9
chebiid: CHEBI:15820
chemspiderid: 712
formula: C16H25N5O16P2
inchikey: MVMSCBBUIHUTGJ-GDJBGNAASA-N
norman_susdat_id: NS00015237
pubchem_cid: 18396
smiles: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N
inchi:
InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11+,14-,15-/m1/s1


cas: 31237-02-2
formula: C19H18N2O11S3
inchikey: UKICZMCNHZQNQO-UHFFFAOYSA-L
norman_susdat_id: NS00049409
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(OC)C(N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)[O-])=C1
name:
Disodium 4-hydroxy-3-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C19H18N2O11S3.2Na/c1-31-17-7-6-12(33(23,24)9-8-32-35(28,29)30)10-15(17)20-21-16-11-18(34(25,26)27)13-4-2-3-5-14(13)19(16)22;;/h2-7,10-11,22H,8-9H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


cas: 31237-03-3
formula: C19H20N4O11S3
inchikey: UNHUHGRYERTMRH-UHFFFAOYSA-L
norman_susdat_id: NS00049410
pubchem_cid: 11970460
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]
name:
Disodium p-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)13-3-5-14(6-4-13)36(27,28)29)21-20-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: 2-chloroethyltriphenylphosphonium bromide
cas: 31238-20-7
dtxsid: DTXSID40953304
formula: C20H19ClP
inchikey: HETXOZDAMZALJQ-UHFFFAOYSA-M
norman_susdat_id: NS00050744
pubchem_cid: 3084530
smiles: [Br-].ClCC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H19ClP.BrH/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;/h1-15H,16-17H2;1H/q+1;/p-1


name: Magnesium octadecylbenzenesulphonate
cas: 31242-17-8
formula: C24H42O3S.1/2Mg
inchikey: UXHWLLPCOGOHCY-UHFFFAOYSA-L
norman_susdat_id: NS00083655
smiles: [Mg+2].CCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C24H42O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)28(25,26)27;/h2*18-19,21-22H,2-17,20H2,1H3,(H,25,26,27);/q;;+2/p-2


name: 3-(2,2-Dimethyl-3-((2-methyl-1-oxoallyl)oxy)-1-oxopropoxy)-2,2-dimethylpropyl methacrylate
cas: 31249-11-3
chemspiderid: 4896149
dtxsid: DTXSID30185172
formula: C18H28O6
inchikey: YGXCIBYSZZKUKK-UHFFFAOYSA-N
norman_susdat_id: NS00029044
pubchem_cid: 16205058
smiles: CC(=C)C(=O)OCC(C)(C)COC(=O)C(C)(C)COC(=O)C(=C)C
inchi:
InChI=1S/C18H28O6/c1-12(2)14(19)22-9-17(5,6)10-24-16(21)18(7,8)11-23-15(20)13(3)4/h1,3,9-11H2,2,4-8H3


cas: 31250-18-7
chemspiderid: 474297
dtxsid: DTXSID20185181
formula: C22H36N2O6
inchikey: QXLUTPDNMOEWGG-UHFFFAOYSA-N
norman_susdat_id: NS00029047
pubchem_cid: 544918
smiles: C1COCCN2CCOCCOCCN(CCO1)CCOc1ccccc1OCC2
name:
2,3,5,6,8,9,11,12,14,15-Decahydro-4,13-(ethanoxyethanoxyethano)-4H,13H-1,7,10,16,4,13-benzotetraoxadiazacyclooctadecine

inchi:
InChI=1S/C22H36N2O6/c1-2-4-22-21(3-1)29-15-9-23-5-11-25-17-19-27-13-7-24(10-16-30-22)8-14-28-20-18-26-12-6-23/h1-4H,5-20H2


name: 1-[diphenyl[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
cas: 31251-03-3
chebiid: CHEBI:82080
dtxsid: DTXSID80185182
formula: C22H16F3N3
inchikey: LXMQMMSGERCRSU-UHFFFAOYSA-N
norman_susdat_id: NS00049995
pubchem_cid: 91600
smiles: FC(F)(F)C1=CC=CC(=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)N4N=CN=C4
inchi:
InChI=1/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H


name: 9ß,10a-pregn-4-ene-3,20-dione
cas: 312-56-0
formula: C21H30O2
inchikey: RJKFOVLPORLFTN-HQZYFCCVSA-N
norman_susdat_id: NS00083444
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
inchi:
InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3


name: 1,3-bis(2,3-epoxypropoxy)-2,2-bis[(2,3-epoxypropoxy)methyl]propane
cas: 3126-63-4
dtxsid: DTXSID10863108
formula: C17H28O8
inchikey: PLDLPVSQYMQDBL-UHFFFAOYSA-N
norman_susdat_id: NS00046062
pubchem_cid: 76579
smiles: O(CC1OC1)CC(COCC2OC2)(COCC3OC3)COCC4OC4
inchi:
InChI=1/C17H28O8/c1(13-5-22-13)18-9-17(10-19-2-14-6-23-14,11-20-3-15-7-24-15)12-21-4-16-8-25-16/h13-16H,1-12H2


name: Tetrakis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
cas: 3126-80-5
dtxsid: DTXSID70863109
formula: C42H70O8
inchikey: GNCDUZFXTFAOBE-UHFFFAOYSA-N
norman_susdat_id: NS00046048
pubchem_cid: 102940
smiles: O=C(OCC(CC)CCCC)C=1C=C(C(=O)OCC(CC)CCCC)C(=CC1C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
inchi:
InChI=1/C42H70O8/c1-9-17-21-31(13-5)27-47-39(43)35-25-37(41(45)49-29-33(15-7)23-19-11-3)38(42(46)50-30-34(16-8)24-20-12-4)26-36(35)40(44)48-28-32(14-6)22-18-10-2/h25-26,31-34H,9-24,27-30H2,1-8H3


name: Tetrahydrocannabivarin
cas: 31262-37-0
dtxsid: DTXSID10893920
formula: C19H26O2
inchikey: ZROLHBHDLIHEMS-HUUCEWRRSA-N
norman_susdat_id: NS00069987
pubchem_cid: 93147
smiles: CCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
inchi:
InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1


name: 1,3-Benzenediol, 4,4'-[(5-chloro-2-hydroxy-1,3-phenylene)bis(methylene)]bis-
cas: 31265-39-1
chemspiderid: 148054
dtxsid: DTXSID3067605
formula: C20H17Cl1O5
inchikey: FXNREMQIVSLLHN-UHFFFAOYSA-N
norman_susdat_id: NS00029051
pubchem_cid: 169277
smiles: Oc1cc(O)c(Cc2cc(Cl)cc(Cc3c(O)cc(O)cc3)c2O)cc1
inchi:
InChI=1S/C20H17ClO5/c21-15-7-13(5-11-1-3-16(22)9-18(11)24)20(26)14(8-15)6-12-2-4-17(23)10-19(12)25/h1-4,7-10,22-26H,5-6H2


name: Indacaterol
cas: 312753-06-3
chebiid: CHEBI:68575
chemspiderid: 5293751
dtxsid: DTXSID90185198
formula: C24H28N2O3
inchikey: QZZUEBNBZAPZLX-QFIPXVFZSA-N
norman_susdat_id: NS00005616
pubchem_cid: 6918554
smiles: CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2nc(O)ccc12
inchi:
InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1


name: Cephalochromin
cas: 3128-30-1
dtxsid: DTXSID60948813
formula: C28H22O10
inchikey: JGQBYBXYRUCBQY-UHFFFAOYSA-N
norman_susdat_id: NS00097065
smiles: CC1CC(=O)C2=C(O1)C=C3C(=C2O)C(=CC(=C3C4=C(C=C(C5=C(C6=C(C=C54)OC(CC6=O)C)O)O)O)O)O
inchi:
InChI=1S/C28H22O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h5-10,31-36H,3-4H2,1-2H3


name: 8-bromoadenosine 2',3',5'-triacetate
cas: 31281-86-4
formula: C16H18BrN5O7
inchikey: HRCLVNMFELGYPE-SDBHATRESA-N
norman_susdat_id: NS00050746
pubchem_cid: 11113466
smiles: O=C(OCC1OC(N2C(Br)=NC=3C(=NC=NC32)N)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C16H18BrN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-14-10(21-16(22)17)13(18)19-5-20-14/h5,9,11-12,15H,4H2,1-3H3,(H2,18,19,20)


name: Hygromycin B
cas: 31282-04-9
chemspiderid: 32900
dtxsid: DTXSID7041045
formula: C20H37N3O13
inchikey: GRRNUXAQVGOGFE-KPBUCVLVSA-N
norman_susdat_id: NS00011531
pubchem_cid: 35766
inchi:
InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14-,15-,16+,17+,18-,19+,20?/m1/s1

smiles:
CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@@H]([C@@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N


name: 1,5-diamino-4,8-dihydroxy(4-methoxyphenyl)anthraquinone
cas: 31288-44-5
dtxsid: DTXSID10904368
formula: C21H16N2O5
inchikey: XDWMUDQKNPIWDS-UHFFFAOYSA-N
norman_susdat_id: NS00049996
pubchem_cid: 83668
smiles: O=C1C2=C(O)C=C(C=3C=CC(OC)=CC3)C(N)=C2C(=O)C=4C(O)=CC=C(N)C14
inchi:
InChI=1/C21H16N2O5/c1-28-10-4-2-9(3-5-10)11-8-14(25)17-18(19(11)23)21(27)16-13(24)7-6-12(22)15(16)20(17)26/h2-8,24-25H,22-23H2,1H3


name: Testosterone valerate
cas: 3129-43-9
chemspiderid: 92468
dtxsid: DTXSID40185204
formula: C24H36O3
inchikey: UCNQPYVHDCHENM-CGRIZKAYSA-N
norman_susdat_id: NS00029054
pubchem_cid: 102373
smiles: CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C24H36O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h15,18-21H,4-14H2,1-3H3/t18-,19-,20-,21-,23-,24-/m0/s1


name: Strontium bis(nonylphenolate)
cas: 31291-42-6
formula: C15H24O.1/2Sr
inchikey: JNCLGRVLJCCIMN-UHFFFAOYSA-L
norman_susdat_id: NS00083932
smiles: [Sr+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C15H24O.Sr/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2


name: Phenyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 312943-34-3
dtxsid: DTXSID60896542
formula: C15H5F17O4
inchikey: MLKBOEILAZUIPH-UHFFFAOYSA-N
norman_susdat_id: NS00111138
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)Oc1ccccc1)C(F)(F)F
inchi:
InChI=1/C15H5F17O4/c16-8(11(20,21)22,7(33)34-6-4-2-1-3-5-6)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h1-5H


name: Desmosterol
cas: 313-04-2
chebiid: CHEBI:17737
chemspiderid: 388662
dtxsid: DTXSID10878676
formula: C27H44O1
inchikey: AVSXSVCZWQODGV-DPAQBDIFSA-N
norman_susdat_id: NS00005490
pubchem_cid: 439577
smiles: C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1


name: Estradiol cypionate
cas: 313-06-4
chebiid: CHEBI:34745
chemspiderid: 9033
dtxsid: DTXSID4022999
formula: C26H36O3
inchikey: UOACKFBJUYNSLK-XRKIENNPSA-N
norman_susdat_id: NS00022039
pubchem_cid: 9403
smiles: C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(O)c4)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
inchi:
InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1


name: Bis[(3,4-epoxycyclohexyl)methyl] adipate
cas: 3130-19-6
chemspiderid: 17386
dtxsid: DTXSID5051997
formula: C20H30O6
inchikey: DJUWPHRCMMMSCV-UHFFFAOYNA-N
norman_susdat_id: NS00020635
pubchem_cid: NA
smiles: O=C(CCCCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1
inchi:
InChI=1S/C20H30O6/c21-19(23-11-13-5-7-15-17(9-13)25-15)3-1-2-4-20(22)24-12-14-6-8-16-18(10-14)26-16/h13-18H,1-12H2/t13-,14-,15+,16+,17-,18-/m0/s1


name: Myristoyl-coenzyme a
cas: 3130-72-1
chebiid: CHEBI:15532
dtxsid: DTXSID80863110
formula: C35H62N7O17P3S
inchikey: DUAFKXOFBZQTQE-QSGBVPJFSA-N
norman_susdat_id: NS00073565
pubchem_cid: 11966124
inchi:
InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1

smiles:
CCCCCCCCCCCCCC(=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


cas: 31303-42-1
formula: C33H37CrN2O11
inchikey: LOWXAOFCEDNSCC-UHFFFAOYSA-L
norman_susdat_id: NS00083941
smiles: CCCOc1cc(OCCC)c2N=Nc3cc(ccc3O[Cr](Oc2c1)C4(CCCC4=O)C(=O)CCc5cc(O)ccc5O)N(=O)=O
name:
Aqua[2-[3-(2,5-dihydroxyphenyl)-1-oxopropyl]cyclopentanonato][2-[[(2-hydroxy-5-nitrophenyl)imino]methyl]-3,5-dipropoxyphenolato(2-)]chromium

inchi:
InChI=1/C18H21N3O6.C14H15O4.Cr/c1-3-7-26-13-10-16(23)18(17(11-13)27-8-4-2)20-19-14-9-12(21(24)25)5-6-15(14)22;15-10-5-7-12(16)9(8-10)4-6-14(18)11-2-1-3-13(11)17;/h5-6,9-11,22-23H,3-4,7-8H2,1-2H3;5,7-8,15-16H,1-4,6H2;/q;;+2/p-2/rC32H34CrN3O10/c1-3-14-43-23-18-27(44-15-4-2)31-28(19-23)46-33(45-26-11-8-21(36(41)42)17-24(26)34-35-31)32(13-5-6-29(32)39)30(40)12-7-20-16-22(37)9-10-25(20)38/h8-11,16-19,37-38H,3-7,12-15H2,1-2H3


name: Virginiamycin B
cas: 3131-03-1
chemspiderid: 9311783
formula: C45H54N8O10
inchikey: YGXCETJZBDTKRY-UHFFFAOYSA-N
norman_susdat_id: NS00040645
pubchem_cid: 11136668
inchi:
InChI=1S/C45H54N8O10/c1-6-31-42(59)52-22-11-14-32(52)43(60)51(5)34(24-27-16-18-29(19-17-27)50(3)4)44(61)53-23-20-30(54)25-33(53)39(56)49-37(28-12-8-7-9-13-28)45(62)63-26(2)36(40(57)47-31)48-41(58)38-35(55)15-10-21-46-38/h7-10,12-13,15-19,21,26,31-34,36-37,55H,6,11,14,20,22-25H2,1-5H3,(H,47,57)(H,48,58)(H,49,56)

smiles:
CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(cc2)N(C)C)N(C)C(=O)C2CCCN2C1=O)c1ccccc1


name: 4-Hydroxyestrone
cas: 3131-23-5
chebiid: CHEBI:87602
chemspiderid: 8146843
dtxsid: DTXSID00904312
formula: C18H22O3
inchikey: XQZVQQZZOVBNLU-QDTBLXIISA-N
norman_susdat_id: NS00040592
pubchem_cid: 9971251
smiles: C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)O
inchi:
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1


name: Antazoline mesylate
cas: 3131-32-6
formula: C17H19N3.CH4O3S
inchikey: PIEHFGHAWYGNCY-UHFFFAOYSA-N
norman_susdat_id: NS00081826
smiles: CS(=O)(=O)O.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3
inchi:
InChI=1/C17H19N3.CH4O3S/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);1H3,(H,2,3,4)


name: 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate
cas: 31311-74-7
chemspiderid: 21229727
dtxsid: DTXSID40185244
formula: C28H32O6
inchikey: SUJDKANSELPHHZ-YGZHYJPASA-N
norman_susdat_id: NS00029055
pubchem_cid: 13633152
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(OC(=O)c1ccccc1)C(=O)CO
inchi:
InChI=1S/C28H32O6/c1-26-12-10-19(30)14-18(26)8-9-20-21-11-13-28(23(32)16-29,27(21,2)15-22(31)24(20)26)34-25(33)17-6-4-3-5-7-17/h3-7,10,12,14,20-22,24,29,31H,8-9,11,13,15-16H2,1-2H3/t20-,21+,22+,24-,26-,27-,28+/m0/s1


name: (Z)-2-(octadec-9-enylamino)ethanol
cas: 31314-16-6
formula: C20H41NO
inchikey: ZMOMBHNITWAALH-KTKRTIGZSA-N
norman_susdat_id: NS00049984
pubchem_cid: 9879766
smiles: OCCNCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22/h9-10,21-22H,2-8,11-20H2,1H3


name: (Z,Z)-2-(di-9-octadecenylamino)ethanol
cas: 31314-17-7
dtxsid: DTXSID90953359
formula: C38H75NO
inchikey: QJWLXRCSILVSPL-CLFAGFIQSA-N
norman_susdat_id: NS00049985
pubchem_cid: 56842136
smiles: OCCN(CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C38H75NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-38-40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,40H,3-16,21-38H2,1-2H3


name: (3Î²,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-yl butyrate
cas: 31316-20-8
chemspiderid: 4945686
formula: C31H50O2
inchikey: QUUDUVNKJWQDFG-UHFFFAOYSA-N
norman_susdat_id: NS00001493
pubchem_cid: NA
smiles: CCCC(=O)OC1CCC(=C)C(C1)=CC=C1CCCC2(C)C(CCC12)C(C)CCCC(C)C
inchi:
InChI=1S/C31H50O2/c1-7-10-30(32)33-27-17-14-23(4)26(21-27)16-15-25-13-9-20-31(6)28(18-19-29(25)31)24(5)12-8-11-22(2)3/h15-16,22,24,27-29H,4,7-14,17-21H2,1-3,5-6H3


name: Benzyl L-histidinate dihydrochloride
cas: 31321-62-7
chemspiderid: 21229730
dtxsid: DTXSID40185249
formula: C13H15N3O2
inchikey: LVHZJHMSLQLNRA-LTCKWSDVSA-N
norman_susdat_id: NS00029058
pubchem_cid: 14309079
smiles: Cl.Cl.NC(Cc1cnc[nH]1)C(=O)OCc1ccccc1
inchi:
InChI=1S/C13H15N3O2/c14-12(6-11-7-15-9-16-11)13(17)18-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,14H2,(H,15,16)/t12-/m0/s1


cas: 31326-29-1
norman_susdat_id: NS00113366
name:
4,4-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with diethylenetriamine


name: Nafronyl
cas: 31329-57-4
chebiid: CHEBI:91817
chemspiderid: 4264
dtxsid: DTXSID3023344
formula: C24H33N1O3
inchikey: KBAFPSLPKGSANY-UHFFFAOYSA-N
norman_susdat_id: NS00009221
pubchem_cid: 4417
smiles: CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12
inchi:
InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3


name: Veratroylzygadenine
cas: 31329-58-5
chemspiderid: 23620249
formula: C36H51NO10
inchikey: LQZYJVWXEFXUJG-QVMLKMJVSA-N
norman_susdat_id: NS00094304
pubchem_cid: 19959897
smiles:
C[C@H]1CC[C@H]2[C@@]([C@@H]3[C@@H](CN2C1)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]([C@@H]3O)O)O)CC[C@H]7[C@@]5(CC[C@@H]([C@@]7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)(C)O


name: Lexiscan
cas: 313348-27-5
chemspiderid: 189859
dtxsid: DTXSID4057712
formula: C15H18N8O5
inchikey: LZPZPHGJDAGEJZ-UHFFFAOYSA-N
norman_susdat_id: NS00040709
pubchem_cid: 219024
smiles: CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3OC(CO)C(O)C3O)c2n1
inchi:
InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-phenylnonanamide
cas: 313366-93-7
dtxsid: DTXSID00896142
formula: C15H6F17NO
inchikey: IUSKDJJOYQLBDY-UHFFFAOYSA-N
norman_susdat_id: NS00109029
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1
inchi:
InChI=1S/C15H6F17NO/c16-8(17,7(34)33-6-4-2-1-3-5-6)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-5H,(H,33,34)


cas: 313368-91-1
formula: C24H28FN3O
inchikey: HOIIHACBCFLJET-SFTDATJTSA-N
norman_susdat_id: NS00073380
pubchem_cid: 21302490
smiles: CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12
name:
1-(4-fluorophenyl)-4-{4-methyl-1,4,12-triazatetracyclo[7.6.1.0?,¹?.0¹?,¹?]hexadeca-5,7,9(16)-trien-12-yl}butan-1-one

inchi:
InChI=1S/C24H28FN3O/c1-26-14-15-28-21-11-13-27(16-20(21)19-4-2-5-22(26)24(19)28)12-3-6-23(29)17-7-9-18(25)10-8-17/h2,4-5,7-10,20-21H,3,6,11-16H2,1H3/t20-,21-/m0/s1


name: N-2-Pyridinylperfluoro-2-(2-propoxypropoxy)propanamide
cas: 31339-60-3
dtxsid: DTXSID30897546
formula: C14H5F17N2O3
inchikey: GFEIOLADCGRWGS-UHFFFAOYSA-N
norman_susdat_id: NS00110159
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)NC1=CC=CC=N1)C(F)(F)F
inchi:
InChI=1/C14H5F17N2O3/c15-7(10(19,20)21,6(34)33-5-3-1-2-4-32-5)35-14(30,31)9(18,12(25,26)27)36-13(28,29)8(16,17)11(22,23)24/h1-4H,(H,32,33,34)


name: 3-Methyl-1-((perfluorohexyl)ethyl)-1H-imidazol-3-ium hexafluorophosphate
cas: 313475-50-2
chemspiderid: 17340702
dtxsid: DTXSID80583740
formula: C12H10F13N2
inchikey: ZBUXZWKNRXKPNV-UHFFFAOYSA-N
norman_susdat_id: NS00018932
pubchem_cid: 16212940
smiles: F[P-](F)(F)(F)(F)F.C[N+]1=CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C12H10F13N2/c1-26-4-5-27(6-26)3-2-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H,2-3H2,1H3/q+1


name: 3-Butyl-1-((perfluorohexyl)eth-2-yl)-1H-imidazol-3-ium hexafluorophosphate
cas: 313475-52-4
chemspiderid: 17346136
dtxsid: DTXSID00585029
formula: C15H16F13N2
inchikey: XPWVKMRONQMDKR-UHFFFAOYSA-N
norman_susdat_id: NS00018933
pubchem_cid: 16218768
smiles: F[P-](F)(F)(F)(F)F.CCCC[N+]1=CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C15H16F13N2/c1-2-3-5-29-7-8-30(9-29)6-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h7-9H,2-6H2,1H3/q+1


name: N-{2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxo-1-phenylethyl}-1h-indole-6-carboxamide
cas: 313489-71-3
dtxsid: DTXSID00953385
formula: C27H33N5O2
inchikey: VYNKVNDKAOGAAQ-RUZDIDTESA-N
norman_susdat_id: NS00072184
pubchem_cid: 9939865
smiles: CN1CCC(N2CCN(C(=O)[C@H](NC(=O)c3ccc4cc[nH]c4c3)c3ccccc3)CC2)CC1
inchi:
InChI=1S/C27H33N5O2/c1-30-13-10-23(11-14-30)31-15-17-32(18-16-31)27(34)25(21-5-3-2-4-6-21)29-26(33)22-8-7-20-9-12-28-24(20)19-22/h2-9,12,19,23,25,28H,10-11,13-18H2,1H3,(H,29,33)/t25-/m1/s1


name: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, dioctadecyl ester
cas: 3135-18-0
chemspiderid: 69051
dtxsid: DTXSID4062858
formula: C51H97O4P1
inchikey: SAJFQHPVIYPPEY-UHFFFAOYSA-N
norman_susdat_id: NS00020793
pubchem_cid: 76586
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C51H97O4P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-54-56(53,45-46-43-47(50(3,4)5)49(52)48(44-46)51(6,7)8)55-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44,52H,9-42,45H2,1-8H3


name: 6,11-Dihydro-6,11-dioxo-N-phenylbenzo(f)pyrido(1,2-a)indole-12-carboxamide
cas: 3135-54-4
chemspiderid: 69052
dtxsid: DTXSID50185275
formula: C23H14N2O3
inchikey: UQCAZSLFSDIWBA-UHFFFAOYSA-N
norman_susdat_id: NS00029066
pubchem_cid: 76587
smiles: O=C(Nc1ccccc1)c1c2ccccn2c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C23H14N2O3/c26-21-15-10-4-5-11-16(15)22(27)20-19(21)18(17-12-6-7-13-25(17)20)23(28)24-14-8-2-1-3-9-14/h1-13H,(H,24,28)


name: Dodecyldimethyl(a-methylphenacyl)ammonium bromide
cas: 31351-20-9
dtxsid: DTXSID70953392
formula: C23H40NO
inchikey: BWLHHTQHGKWCGX-UHFFFAOYSA-M
norman_susdat_id: NS00049458
pubchem_cid: 21149420
smiles: [Br-].O=C(C=1C=CC=CC1)C(C)[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C23H40NO.BrH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;/h14-16,18-19,21H,5-13,17,20H2,1-4H3;1H/q+1;/p-1


name: 6-bromo-1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride
cas: 31352-16-6
dtxsid: DTXSID50884670
formula: C24H23BrN3
inchikey: SLLKGCJHIUTJGJ-UHFFFAOYSA-M
norman_susdat_id: NS00050067
pubchem_cid: 169288
smiles: [Cl-].N#CCC[N+]=1C2=CC=C(Br)C=3C=CC=C(C32)C1C=4C=CC(=CC4)N(CC)CC
inchi:
InChI=1/C24H23BrN3.ClH/c1-3-27(4-2)18-11-9-17(10-12-18)24-20-8-5-7-19-21(25)13-14-22(23(19)20)28(24)16-6-15-26;/h5,7-14H,3-4,6,16H2,1-2H3;1H/q+1;/p-1


name: 1,3-Benzenedicarboxylic acid, 5-(3-sulfopropoxy)-, 1,3-dimethyl ester, sodium salt
cas: 31352-31-5
chemspiderid: 148063
dtxsid: DTXSID2067618
formula: C13H16O8S1
inchikey: QTDJRRAARDSWEQ-UHFFFAOYSA-M
norman_susdat_id: NS00029064
pubchem_cid: 23688946
smiles: [Na+].COC(=O)c1cc(cc(OCCCS(=O)(=O)[O-])c1)C(=O)OC
inchi:
InChI=1S/C13H16O8S/c1-19-12(14)9-6-10(13(15)20-2)8-11(7-9)21-4-3-5-22(16,17)18/h6-8H,3-5H2,1-2H3,(H,16,17,18)


name: Disodium dodecanedioate
cas: 31352-39-3
formula: C12H22O4.2Na
inchikey: TWEMKOBYVAMCDD-UHFFFAOYSA-L
norman_susdat_id: NS00083965
smiles: [Na+].[Na+].[O-]C(=O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C12H22O4.2Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);;/q;2*+1/p-2


cas: 31353-92-1
chemspiderid: 105134
dtxsid: DTXSID7067619
formula: C41H28N4O10S2
inchikey: FXFJDZPYMDXPPM-UHFFFAOYSA-N
norman_susdat_id: NS00029065
pubchem_cid: 117646
name:
2-Anthracenesulfonic acid, 4,4'-[methylenebis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxo-

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

smiles:
Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccc(Cc3ccc(Nc4cc(c(N)c5c4C(=O)c4ccccc4C5=O)S(=O)(=O)O)cc3)cc2)cc1S(=O)(=O)O


name: 1-(2-cyanoethyl)-2-[4-(diethylamino)phenyl]benz[cd]indolium chloride
cas: 31354-66-2
dtxsid: DTXSID10884671
formula: C24H24N3
inchikey: NDHHQVODEQNJBL-UHFFFAOYSA-M
norman_susdat_id: NS00049459
pubchem_cid: 161707
smiles: [Cl-].N#CCC[N+]=1C2=CC=CC=3C=CC=C(C32)C1C=4C=CC(=CC4)N(CC)CC
inchi:
InChI=1/C24H24N3.ClH/c1-3-26(4-2)20-14-12-19(13-15-20)24-21-10-5-8-18-9-6-11-22(23(18)21)27(24)17-7-16-25;/h5-6,8-15H,3-4,7,17H2,1-2H3;1H/q+1;/p-1


name: 7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1)
cas: 31354-67-3
formula: C21H25N4O
inchikey: VQTKNKXHMHKKTB-UHFFFAOYSA-J
norman_susdat_id: NS00050052
pubchem_cid: 44146305
inchi:
InChI=1/2C21H25N4O.4ClH.Zn/c2*1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;;;;;/h2*8-9,12-14H,5-7,11H2,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C21H25N4O.Cl4Zn/c2*1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;1-5(2,3)4/h2*8-9,12-14H,5-7,11H2,1-4H3;/q2*+1;-2

smiles:
N#CCCN(C1=CC=C2N=C3C=C(C(=CC3=[O+]C2=C1)N(C)CC)C)CC.N#CCCN(C1=CC=C2N=C3C=C(C(=CC3=[O+]C2=C1)N(C)CC)C)CC.Cl[Zn-2](Cl)(Cl)Cl


name: N-(2,4-dinitrophenyl)-DL-norleucine
cas: 31356-36-2
formula: C12H17N3O6
inchikey: BXMHDHVQCLEBPS-JTQLQIEISA-N
norman_susdat_id: NS00049460
pubchem_cid: 14009516
smiles: O=C(O)C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCC
inchi:
InChI=1/C12H15N3O6/c1-2-3-4-10(12(16)17)13-9-6-5-8(14(18)19)7-11(9)15(20)21/h5-7,10,13H,2-4H2,1H3,(H,16,17)


name: Brecanavir
cas: 313682-08-5
dtxsid: DTXSID10185296
formula: C33H41N3O10S2
inchikey: JORVRJNILJXMMG-OLNQLETPSA-N
norman_susdat_id: NS00069745
pubchem_cid: 5743186
inchi:
InChI=1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1

smiles:
Cc1nc(COc2ccc(C[C@H](NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)cc2)cs1


name: 6-a-methyl-20-oxopregn-4-en-17-a-yl acetate
cas: 3137-73-3
dtxsid: DTXSID50953411
formula: C24H36O3
inchikey: KDLNOQQQEBKBQM-ZCPNKVFMSA-N
norman_susdat_id: NS00046682
pubchem_cid: 23617940
smiles: O=C(OC1(C(=O)C)CCC2C3CC(C4=CCCCC4(C)C3CCC21C)C)C
inchi:
InChI=1/C24H36O3/c1-15-14-18-20(22(4)11-7-6-8-19(15)22)9-12-23(5)21(18)10-13-24(23,16(2)25)27-17(3)26/h8,15,18,20-21H,6-7,9-14H2,1-5H3


name: ((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)bis(iminoethylene))bis(benzenesulphonamide)
cas: 31373-19-0
chemspiderid: 21229733
dtxsid: DTXSID70185297
formula: C30H28N4O6S2
inchikey: DEHGLWWSASFTMU-UHFFFAOYSA-N
norman_susdat_id: NS00029072
pubchem_cid: 56842180
smiles: NS(=O)(=O)c1ccccc1CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCc2ccccc2S(=O)(=O)N)cc1
inchi:
InChI=1S/C30H28N4O6S2/c31-41(37,38)25-11-5-1-7-19(25)15-17-33-23-13-14-24(34-18-16-20-8-2-6-12-26(20)42(32,39)40)28-27(23)29(35)21-9-3-4-10-22(21)30(28)36/h1-14,33-34H,15-18H2,(H2,31,37,38)(H2,32,39,40)


name: N-[N-(N-benzoylglycyl)-L-histidyl]-L-leucine
cas: 31373-65-6
dtxsid: DTXSID30953414
formula: C21H27N5O5
inchikey: AAXWBCKQYLBQKY-IRXDYDNUSA-N
norman_susdat_id: NS00050799
pubchem_cid: 94418
smiles: O=C(O)C(NC(=O)C(NC(=O)CNC(=O)C=1C=CC=CC1)CC=2N=CNC2)CC(C)C
inchi:
InChI=1/C21H27N5O5/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31)


name: Benzoic acid, 3,3'-methylenebis[6-amino-, dimethyl ester
cas: 31383-81-0
chebiid: CHEBI:121034
chemspiderid: 85209
dtxsid: DTXSID1067621
formula: C17H18N2O4
inchikey: XEZPSTVEIZNGRR-UHFFFAOYSA-N
norman_susdat_id: NS00020409
pubchem_cid: 94419
smiles: COC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OC)ccc1N
inchi:
InChI=1S/C17H18N2O4/c1-22-16(20)12-8-10(3-5-14(12)18)7-11-4-6-15(19)13(9-11)17(21)23-2/h3-6,8-9H,7,18-19H2,1-2H3


name: Butyl D-glucoside
cas: 31387-97-0
chemspiderid: 10439151
dtxsid: DTXSID90185315
formula: C10H20O6
inchikey: BZANQLIRVMZFOS-ZKZCYXTQSA-N
norman_susdat_id: NS00019434
pubchem_cid: 11107340
smiles: CCCCOC1OC(CO)C(O)C(O)C1O
inchi:
InChI=1S/C10H20O6/c1-2-3-4-15-10-9(14)8(13)7(12)6(5-11)16-10/h6-14H,2-5H2,1H3/t6-,7+,8+,9+,10+/m1/s1


name: PPG-26 OLEATE
cas: 31394-71-5
chemspiderid: 4516588
formula: C21H40O3
inchikey: YWBLIYFXWVRDAA-MDZDMXLPSA-N
norman_susdat_id: NS00014007
pubchem_cid: 5364434
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCCCO
inchi:
InChI=1S/C21H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)24-20-17-19-22/h9-10,22H,2-8,11-20H2,1H3/b10-9+


name: Pimethixene
cas: 314-03-4
chebiid: CHEBI:94787
chemspiderid: 4656
dtxsid: DTXSID0048476
formula: C19H19N1S1
inchikey: NZLVRVYNQYGMAB-UHFFFAOYSA-N
norman_susdat_id: NS00007237
pubchem_cid: 4822
smiles: CN1CCC(CC1)=C1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3


name: Evans blue
cas: 314-13-6
chemspiderid: 4575472
dtxsid: DTXSID9022815
formula: C34H28N6O14S4
inchikey: ATNOAWAQFYGAOY-GPTZEZBUSA-J
norman_susdat_id: NS00020294
pubchem_cid: NA
inchi:
InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-23+,40-24+

smiles:
[Na+].[Na+].[Na+].[Na+].Cc1c(N/N=C/2C=Cc3c(c(N)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)ccc(c1)c1cc(C)c(N/N=C/2C=Cc3c(c(N)c(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])C2=O)cc1


name: Orotidine
cas: 314-50-1
chebiid: CHEBI:25722
chemspiderid: 83729
formula: C10H12N2O8
inchikey: FKCRAVPPBFWEJD-XVFCMESISA-N
norman_susdat_id: NS00015155
pubchem_cid: 92751
smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=O)nc(cc1C(=O)O)O
inchi:
InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1


name: Pinoxaden NOA 407854 (M2)
cas: 314020-44-5
chemspiderid: 9361240
formula: C18H24N2O3
inchikey: QHUWVQWAKAJLTJ-UHFFFAOYSA-N
norman_susdat_id: NS00006416
pubchem_cid: 11186156
smiles: CCc1cc(C)cc(CC)c1C1C(=O)N2CCOCCN2C1=O
inchi:
InChI=1S/C18H24N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h10-11,16H,4-9H2,1-3H3


name: 2-Acetyl-1,2,3,4-tetrahydroisoquinoline-7-sulphonamide
cas: 31404-59-8
chemspiderid: 2283679
dtxsid: DTXSID60185327
formula: C11H14N2O3S1
inchikey: XYVQFXSDLNCVQQ-UHFFFAOYSA-N
norman_susdat_id: NS00029080
pubchem_cid: 3015561
smiles: CC(=O)N1CCc2c(C1)cc(cc2)S(=O)(=O)N
inchi:
InChI=1S/C11H14N2O3S/c1-8(14)13-5-4-9-2-3-11(17(12,15)16)6-10(9)7-13/h2-3,6H,4-5,7H2,1H3,(H2,12,15,16)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-methylnonanamide
cas: 314053-71-9
dtxsid: DTXSID30895986
formula: C10H4F17NO
inchikey: QBUQLOZQYAJDBN-UHFFFAOYSA-N
norman_susdat_id: NS00110067
smiles: CNC(=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/C10H4F17NO/c1-28-2(29)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3,(H,28,29)


name: Phenol, 2-(2H-benzotriazol-2-yl)-4-dodecyl-
cas: 3142-42-5
chemspiderid: 69059
dtxsid: DTXSID8062864
formula: C24H33N3O1
inchikey: RKVRWKDTXOIXNG-UHFFFAOYSA-N
norman_susdat_id: NS00029090
pubchem_cid: 76594
smiles: CCCCCCCCCCCCc1ccc(O)c(c1)n1nc2ccccc2n1
inchi:
InChI=1S/C24H33N3O/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24(28)23(19-20)27-25-21-15-12-13-16-22(21)26-27/h12-13,15-19,28H,2-11,14H2,1H3


name: 4-(benzoylamino)-2,5-diethoxybenzenediazonium trichlorozincate
cas: 3142-46-9
formula: C17H18N3O3.Cl3Zn
inchikey: OLFLSIOXGZSCDB-UHFFFAOYSA-L
norman_susdat_id: NS00081858
smiles: CCOc1cc([N+]#N)c(OCC)cc1NC(=O)c2ccccc2.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C17H17N3O3.3ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;/h5-11H,3-4H2,1-2H3;3*1H;/q;;;;+2/p-2/rC17H17N3O3.Cl3Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;1-4(2)3/h5-11H,3-4H2,1-2H3;/q;-1/p+1


name: Flubendazole
cas: 31430-15-6
chebiid: CHEBI:77095
chemspiderid: 32932
dtxsid: DTXSID8023058
formula: C16H12F1N3O3
inchikey: CPEUVMUXAHMANV-UHFFFAOYSA-N
norman_susdat_id: NS00008198
pubchem_cid: 35802
smiles: COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccc(F)cc1
inchi:
InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)


name: Nocodazole
cas: 31430-18-9
chebiid: CHEBI:34892
chemspiderid: 3979
dtxsid: DTXSID9031800
formula: C14H11N3O3S1
inchikey: KYRVNWMVYQXFEU-UHFFFAOYSA-N
norman_susdat_id: NS00029092
pubchem_cid: 4122
smiles: COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1cccs1
inchi:
InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)


name: Bis(2,2,3,3,4,4,4-heptafluorobutyl) phenylphosphonate
cas: 31430-72-5
dtxsid: DTXSID40896005
formula: C14H9F14O3P
inchikey: MXDLFIUWYJPRPF-UHFFFAOYSA-N
norman_susdat_id: NS00110410
smiles: FC(F)(F)C(F)(F)C(F)(F)COP(=O)(OCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
inchi:
InChI=1S/C14H9F14O3P/c15-9(16,11(19,20)13(23,24)25)6-30-32(29,8-4-2-1-3-5-8)31-7-10(17,18)12(21,22)14(26,27)28/h1-5H,6-7H2


name: [(tetrachlorophthaloyl)bis(oxy)]bis(tributylstannane)
cas: 31430-86-1
dtxsid: DTXSID4073469
formula: C32H54Cl4O4Sn2
inchikey: BQHRYDKHQXDUBU-UHFFFAOYSA-L
norman_susdat_id: NS00051333
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C(Cl)=C(Cl)C(Cl)=C(Cl)C1C(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C8H2Cl4O4.6C4H9.2Sn/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;6*1-3-4-2;;/h(H,13,14)(H,15,16);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC32H54Cl4O4Sn2/c1-7-13-19-41(20-14-8-2,21-15-9-3)39-31(37)25-26(28(34)30(36)29(35)27(25)33)32(38)40-42(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3


name: Mebendazole
cas: 31431-39-7
chebiid: CHEBI:6704
chemspiderid: 3890
dtxsid: DTXSID4040682
formula: C16H13N3O3
inchikey: OPXLLQIJSORQAM-UHFFFAOYSA-N
norman_susdat_id: NS00008616
pubchem_cid: 4030
smiles: COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
inchi:
InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)


name: Cyclobendazole
cas: 31431-43-3
chebiid: CHEBI:135067
chemspiderid: 32933
dtxsid: DTXSID9057713
formula: C13H13N3O3
inchikey: OXLKOMYHDYVIDM-UHFFFAOYSA-N
norman_susdat_id: NS00029097
pubchem_cid: 35803
smiles: COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)C1CC1
inchi:
InChI=1S/C13H13N3O3/c1-19-13(18)16-12-14-9-5-4-8(6-10(9)15-12)11(17)7-2-3-7/h4-7H,2-3H2,1H3,(H2,14,15,16,18)


name: Bis(1H,1H-perfluorooct-1-yl)amine
cas: 3145-68-4
chemspiderid: 19916586
dtxsid: DTXSID90880191
formula: C16H5F30N1
inchikey: FTLIVFJKISSELN-UHFFFAOYSA-N
norman_susdat_id: NS00018935
pubchem_cid: 18450406
inchi:
InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2

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


name: gamma-Linolenic acid ethyl ester
cas: 31450-14-3
formula: C20H34O2
inchikey: MJLYTDAIYLGSRZ-ORZIMQNZSA-N
norman_susdat_id: NS00096681
smiles: CCCCC/C=CC/C=CC/C=CCCCCC(=O)OCC
inchi:
InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12,14-15H,3-7,10,13,16-19H2,1-2H3/b9-8-,12-11-,15-14-


name: 5-Allyl-5-butylbarbituric acid
cas: 3146-66-5
chemspiderid: 44137
dtxsid: DTXSID90185370
formula: C11H16N2O3
inchikey: RRWVWLGUQPLOMY-UHFFFAOYSA-N
norman_susdat_id: NS00005699
pubchem_cid: 48522
smiles: CCCCC1(CC=C)C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4H,2-3,5-7H2,1H3,(H2,12,13,14,15,16)


name: Propanenitrile, 3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]-
cas: 31464-38-7
chemspiderid: 142030
dtxsid: DTXSID1067625
formula: C16H15N5O2
inchikey: GYBDRUAPPXYFAN-UHFFFAOYSA-N
norman_susdat_id: NS00029102
pubchem_cid: 161710
smiles: CN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H15N5O2/c1-20(12-2-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,12H2,1H3/b19-18+


name: 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-5-methylphenyl)azo]-
cas: 3147-14-6
dtxsid: DTXSID8062866
formula: C17H14N2O5S
inchikey: VBRNLOQCBCPPHL-UHFFFAOYSA-N
norman_susdat_id: NS00046700
pubchem_cid: 2530
smiles: O=S(=O)(O)C1=CC(O)=C(N=NC2=CC(=CC=C2O)C)C=3C=CC=CC31
inchi:
InChI=1/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)


cas: 3147-15-7
dtxsid: DTXSID50953476
formula: C30H26N2O13
inchikey: LZWYTBDLXMGUEL-UHFFFAOYSA-N
norman_susdat_id: NS00046145
pubchem_cid: 102942
smiles: O=C(O)CN(CC(=O)O)CC=1C=C2C(OC3=CC(O)=CC=C3C42OC(=O)C=5C=CC=CC54)=C(C1O)CN(CC(=O)O)CC(=O)O
name:
N,N'-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-2',4'-diyl)bis(methylene)]bis[N-(carboxymethyl)glycine]

inchi:
InChI=1/C30H26N2O13/c33-16-5-6-20-22(8-16)44-28-18(10-32(13-25(38)39)14-26(40)41)27(42)15(9-31(11-23(34)35)12-24(36)37)7-21(28)30(20)19-4-2-1-3-17(19)29(43)45-30/h1-8,33,42H,9-14H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)


name: Octrizole
cas: 3147-75-9
chemspiderid: 56265
dtxsid: DTXSID9027522
formula: C20H25N3O1
inchikey: IYAZLDLPUNDVAG-UHFFFAOYSA-N
norman_susdat_id: NS00008577
pubchem_cid: 62485
smiles: CC(C)(C)CC(C)(C)c1ccc(O)c(c1)-n1nc2ccccc2n1
inchi:
InChI=1S/C20H25N3O/c1-19(2,3)13-20(4,5)14-10-11-18(24)17(12-14)23-21-15-8-6-7-9-16(15)22-23/h6-12,24H,13H2,1-5H3


name: 2-(2H-Benzotriazol-2-yl)-5-(octyloxy)phenol
cas: 3147-77-1
chemspiderid: 10632704
dtxsid: DTXSID50577999
formula: C20H25N3O2
inchikey: ITLDHFORLZTRJI-UHFFFAOYSA-N
norman_susdat_id: NS00004359
pubchem_cid: 15752107
smiles: CCCCCCCCOc1ccc(c(O)c1)-n1nc2ccccc2n1
inchi:
InChI=1S/C20H25N3O2/c1-2-3-4-5-6-9-14-25-16-12-13-19(20(24)15-16)23-21-17-10-7-8-11-18(17)22-23/h7-8,10-13,15,24H,2-6,9,14H2,1H3


name: Isodecyl isooctyl adipate
cas: 31474-57-4
chemspiderid: 32934
dtxsid: DTXSID6067626
formula: C24H46O4
inchikey: IHXYISPZQCLSIX-UHFFFAOYSA-N
norman_susdat_id: NS00029107
pubchem_cid: 35804
smiles: CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C24H46O4/c1-21(2)15-9-6-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-10-16-22(3)4/h21-22H,5-20H2,1-4H3


name: Verrucarin A
cas: 3148-09-2
chebiid: CHEBI:230243
chemspiderid: 10210056
formula: C27H34O9
inchikey: NLUGUZJQJYVUHS-IDXDZYHTSA-N
norman_susdat_id: NS00011677
pubchem_cid: 6326658
inchi:
InChI=1S/C27H34O9/c1-16-8-10-26-14-33-24(31)23(30)17(2)9-11-32-21(28)6-4-5-7-22(29)36-18-13-20(35-19(26)12-16)27(15-34-27)25(18,26)3/h4-7,12,17-20,23,30H,8-11,13-15H2,1-3H3/b6-4+,7-5-/t17-,18-,19-,20-,23+,25-,26-,27+/m1/s1

smiles:
C[C@@H]1CCOC(=O)/C=C/C=CC(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4


name: N,N'-(2-Hydroxy-1,3-propanediyl)bis[N-(carboxymethyl)glycine
cas: 3148-72-9
chemspiderid: 17441
dtxsid: DTXSID5044653
formula: C11H18N2O9
inchikey: WYMDDFRYORANCC-UHFFFAOYSA-N
norman_susdat_id: NS00020076
pubchem_cid: 18465
smiles: OC(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)


cas: 3148-90-1
dtxsid: DTXSID80953484
formula: C25H29N2S2
inchikey: BWTPJFDPMNWMCH-UHFFFAOYSA-M
norman_susdat_id: NS00046113
pubchem_cid: NA
smiles: [I-].S1C2=CC=C(C=C2N(C1=CC(=CC=3SC=4C=CC(=CC4[N+]3CC)C)CC)CC)C
name:
3-ethyl-2-[2-[(3-ethyl-5-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methylbenzothiazolium iodide

inchi:
InChI=1/C25H29N2S2.HI/c1-6-19(15-24-26(7-2)20-13-17(4)9-11-22(20)28-24)16-25-27(8-3)21-14-18(5)10-12-23(21)29-25;/h9-16H,6-8H2,1-5H3;1H/q+1;/p-1


name: C.I. Disperse Orange 25
cas: 31482-56-1
chemspiderid: 83312
dtxsid: DTXSID5051999
formula: C17H17N5O2
inchikey: ZSPPPAFDNHYXNW-UHFFFAOYSA-N
norman_susdat_id: NS00019972
pubchem_cid: 92278
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H17N5O2/c1-2-21(13-3-12-18)16-8-4-14(5-9-16)19-20-15-6-10-17(11-7-15)22(23)24/h4-11H,2-3,13H2,1H3/b20-19-


name: Monocrotaline
cas: 315-22-0
chebiid: CHEBI:6980
chemspiderid: 9044
dtxsid: DTXSID9020902
formula: C16H23N1O6
inchikey: QVCMHGGNRFRMAD-XFGHUUIASA-N
norman_susdat_id: NS00015471
pubchem_cid: 9415
smiles: CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O
inchi:
InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1


name: Pregn-4-ene-3,20-dione, 21,21'-[phosphinicobis(oxy)]bis[11,17-dihydroxy-, monosodium salt, (11ß)-
cas: 315-33-3
formula: C42H59O12P
inchikey: PPNZBHFUFIZBNN-SFDAJULSSA-N
norman_susdat_id: NS00041834
pubchem_cid: NA
inchi:
InChI=1/C42H59O12P.Na/c1-37-13-9-25(43)17-23(37)5-7-27-29-11-15-41(49,39(29,3)19-31(45)35(27)37)33(47)21-53-55(51,52)54-22-34(48)42(50)16-12-30-28-8-6-24-18-26(44)10-14-38(24,2)36(28)32(46)20-40(30,42)4;/h17-18,27-32,35-36,45-46,49-50H,5-16,19-22H2,1-4H3,(H,51,52);/q;+1

smiles:
[Na+].O=C1C=C2CCC3C4CCC(O)(C(=O)COP(=O)(O)OCC(=O)C5(O)CCC6C7CCC8=CC(=O)CCC8(C)C7C(O)CC65C)C4(C)CC(O)C3C2(C)CC1


name: Testosterone enanthate
cas: 315-37-7
chebiid: CHEBI:9464
chemspiderid: 9045
formula: C26H40O3
inchikey: VOCBWIIFXDYGNZ-IXKNJLPQSA-N
norman_susdat_id: NS00015428
pubchem_cid: 9416
smiles: CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1


name: Opipramol
cas: 315-72-0
chebiid: CHEBI:94614
chemspiderid: 9046
dtxsid: DTXSID3023394
formula: C23H29N3O1
inchikey: YNZFUWZUGRBMHL-UHFFFAOYSA-N
norman_susdat_id: NS00010442
pubchem_cid: 9417
smiles: C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO
inchi:
InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2


name: Dibenzepin hydrochloride
cas: 315-80-0
chebiid: CHEBI:31476
formula: C18H21N3O.ClH
inchikey: RJPZIQRLRMWPRF-UHFFFAOYSA-N
norman_susdat_id: NS00079456
smiles: Cl.CN(C)CCN1C(=O)c2ccccc2N(C)c3ccccc13
inchi:
InChI=1/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H


name: 4-Nitrophenylgalactoside
cas: 3150-24-1
chebiid: CHEBI:355715
chemspiderid: 58625
dtxsid: DTXSID40185401
formula: C12H15N1O8
inchikey: IFBHRQDFSNCLOZ-YBXAARCKSA-N
norman_susdat_id: NS00029116
pubchem_cid: 65115
smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2)[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12-/m1/s1


name: Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N-phenyl-
cas: 3150-82-1
chemspiderid: 69074
dtxsid: DTXSID2062872
formula: C18H13Cl1N4O2
inchikey: RJXMVDQBCHMJTE-UHFFFAOYSA-N
norman_susdat_id: NS00029118
pubchem_cid: 76610
smiles: [O-][N+](=O)c1cc(Cl)c(cc1)N=Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C18H13ClN4O2/c19-17-12-16(23(24)25)10-11-18(17)22-21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-12,20H/b22-21+


name: Benzamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-
cas: 31501-01-6
chemspiderid: 148075
dtxsid: DTXSID6067628
formula: C27H26Cl1N5O7
inchikey: VICMHNHXHZSEJF-UHFFFAOYSA-N
norman_susdat_id: NS00029115
pubchem_cid: 169308
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(NC(=O)c2ccccc2)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C27H26ClN5O7/c1-18(34)39-14-12-32(13-15-40-19(2)35)21-8-11-25(26(17-21)29-27(36)20-6-4-3-5-7-20)31-30-24-10-9-22(33(37)38)16-23(24)28/h3-11,16-17H,12-15H2,1-2H3,(H,29,36)/b31-30+


name: N-Methylperfluorooctanesulfonamide (N-MeFOSA)
cas: 31506-32-8
chemspiderid: 2298910
dtxsid: DTXSID1067629
formula: C9H4F17N1O2S1
inchikey: SRMWNTGHXHOWBT-UHFFFAOYSA-N
norman_susdat_id: NS00010968
pubchem_cid: 3034468
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)F)C(F)(F)S(=O)(NC)=O
inchi:
InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3


name: N-Butylperfluorooctane-1-sulfonamide
cas: 31506-34-0
chemspiderid: NA
dtxsid: DTXSID00622963
formula: C12H10F17N1O2S1
inchikey: UUZCNLZINSJLSR-UHFFFAOYSA-N
norman_susdat_id: NS00018936
pubchem_cid: 22149415
smiles: CCCCNS(=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/C12H10F17NO2S/c1-2-3-4-30-33(31,32)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h30H,2-4H2,1H3


name: 2,4-dinitrobenzenediazonium sulphate (2:1)
cas: 31506-87-3
dtxsid: DTXSID0067630
formula: C6H5N4O4
inchikey: LQTWAYRVPSCETI-UHFFFAOYSA-L
norman_susdat_id: NS00051425
pubchem_cid: 169309
inchi:
InChI=1/2C6H3N4O4.H2O4S/c2*7-8-5-2-1-4(9(11)12)3-6(5)10(13)14;1-5(2,3)4/h2*1-3H;(H2,1,2,3,4)/q2*+1;/p-2

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


name: Cannabicitran
cas: 31508-71-1
chemspiderid: 161813
formula: C21H30O2
inchikey: IXJXRDCCQRZSDV-UHFFFAOYSA-N
norman_susdat_id: NS00018618
pubchem_cid: 59444393
smiles: CCCCCC1=CC2=C3C4CC(O2)(CCC4C(OC3=C1)(C)C)C
inchi:
InChI=1S/C21H30O2/c1-5-6-7-8-14-11-17-19-15-13-21(4,23-18(19)12-14)10-9-16(15)20(2,3)22-17/h11-12,15-16H,5-10,13H2,1-4H3


name: OPEO-10
cas: 3151-30-2
dtxsid: DTXSID00185407
formula: C34H62O11
inchikey: AKBZTYMWSLYNCH-UHFFFAOYSA-N
norman_susdat_id: NS00067060
smiles: CCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
inchi:
InChI=1S/C34H62O11/c1-2-3-4-5-6-7-8-33-9-11-34(12-10-33)45-32-31-44-30-29-43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-36-14-13-35/h9-12,35H,2-8,13-32H2,1H3


name: Bis(2-ethylhexyl) phenylphosphonate
cas: 3151-39-1
dtxsid: DTXSID80883959
formula: C22H39O3P
inchikey: POYAQWAYIGGXOL-UHFFFAOYSA-N
norman_susdat_id: NS00045605
pubchem_cid: 102943
smiles: O=P(OCC(CC)CCCC)(OCC(CC)CCCC)C=1C=CC=CC1
inchi:
InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-24-26(23,22-16-12-11-13-17-22)25-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3


name: EINECS 250-670-5
cas: 31511-30-5
chemspiderid: 21229739
dtxsid: DTXSID30185410
formula: C33H42O19
inchikey: OEKBFEWOXPXFSB-VVSTWUKXSA-N
norman_susdat_id: NS00022041
pubchem_cid: 10078729
smiles: CC1OC(OCC2OC(Oc3c(oc4cc(OCCO)cc(OCCO)c4c3=O)c3cc(O)c(OCCO)cc3)C(O)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-19(47-9-6-36)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(17(37)10-15)46-8-5-35/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24-,26-,27+,28+,29+,32-,33+/m0/s1


cas: 31511-31-6
dtxsid: DTXSID40953501
formula: C26H36O16
inchikey: ONGZURZRNLPNQE-UHFFFAOYSA-N
norman_susdat_id: NS00050976
pubchem_cid: NA
smiles: O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OCCO)=CC(OCCO)=C14)C
name:
3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, tetrakis(2-hydroxyethyl) ether

inchi:
InChI=1/C26H36O16/c1-10-17(29)20(32)22(34)25(40-10)38-9-15-18(30)21(33)23(35)26(41-15)42-24-11(2)39-14-8-12(36-5-3-27)7-13(37-6-4-28)16(14)19(24)31/h7-8,10,15,17-18,20-23,25-30,32-35H,3-6,9H2,1-2H3


name: 2-(4-Benzylpiperazin-1-yl)-N-((2-hydroxy-3-prop-2-enyl-phenyl)methylideneamino)acetamide
cas: 315183-21-2
dtxsid: DTXSID30897425
formula: C23H28N4O2
inchikey: YQNRVGJCPCNMKT-LFVJCYFKSA-N
norman_susdat_id: NS00071670
pubchem_cid: 9675990
smiles: C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c1O
inchi:
InChI=1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+


cas: 31521-55-8
dtxsid: DTXSID80953505
formula: C32H29N6O2
inchikey: CBQNIZHQMHRCGW-HYNBPGMHSA-N
norman_susdat_id: NS00051426
pubchem_cid: NA
name:
1,3-diallyl-2-[2-(1-methyl-5-nitro-2-phenylindol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate

inchi:
InChI=1/C32H28N6O2.C7H8O3S/c1-4-19-36-29(37(20-5-2)32-31(36)33-26-13-9-10-14-27(26)34-32)18-16-24-25-21-23(38(39)40)15-17-28(25)35(3)30(24)22-11-7-6-8-12-22;1-6-2-4-7(5-3-6)11(8,9)10/h4-18,21,29H,1-2,19-20H2,3H3;2-5H,1H3,(H,8,9,10)

smiles:
O=[N+]([O-])C=1C=CC2=C(C1)C(C=CC3N(C4=NC=5C=CC=CC5N=C4[NH+]3CC=C)CC=C)=C(C=6C=CC=CC6)N2C.O=S(=O)([O-])C1=CC=C(C=C1)C


name: 4-Chloro-6-tetradecyl-m-cresol
cas: 31522-07-3
chemspiderid: 2283692
dtxsid: DTXSID10185418
formula: C21H35Cl1O1
inchikey: CUNQNPBLNXQQNP-UHFFFAOYSA-N
norman_susdat_id: NS00029119
pubchem_cid: 3015575
smiles: CCCCCCCCCCCCCCc1cc(Cl)c(C)cc1O
inchi:
InChI=1S/C21H35ClO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-17-20(22)18(2)16-21(19)23/h16-17,23H,3-15H2,1-2H3


cas: 31522-10-8
dtxsid: DTXSID00953507
formula: C35H50ClN3O6S
inchikey: AQLADWRJWIVBQK-UHFFFAOYSA-N
norman_susdat_id: NS00052198
pubchem_cid: 3015576
smiles: O=C(OCCOC=1C=C(C(Cl)=CC1CCCCCCCCCCCCCC)C)NC2=NN(C(=O)C2C)C3=CC=C(C=C3)S(=O)(=O)C
name:
2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl [4,5-dihydro-4-methyl-1-[4-(methylsulphonyl)phenyl]-5-oxo-1H-pyrazol-3-yl]carbamate

inchi:
InChI=1/C35H50ClN3O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-28-25-31(36)26(2)24-32(28)44-22-23-45-35(41)37-33-27(3)34(40)39(38-33)29-18-20-30(21-19-29)46(4,42)43/h18-21,24-25,27H,5-17,22-23H2,1-4H3,(H,37,38,41)


cas: 31522-23-3
chemspiderid: 21167643
dtxsid: DTXSID70185419
formula: C43H64Cl1N3O8
inchikey: KILNESORACOZGN-BHVANESWSA-N
norman_susdat_id: NS00029120
pubchem_cid: 56842250
smiles: CCCCCCCCCCCCCCCCCCN(C(CC(=O)Nc1cccc(c1)C(=O)CC(=O)Nc1cc(OC)c(Cl)cc1OC)C(=O)O)C(=O)C(C)C
name:
N-(3-(3-((4-Chloro-2,5-dimethoxyphenyl)amino)-1,3-dioxopropyl)phenyl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine

inchi:
InChI=1S/C43H64ClN3O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-47(42(51)31(2)3)36(43(52)53)29-40(49)45-33-24-22-23-32(26-33)37(48)30-41(50)46-35-28-38(54-4)34(44)27-39(35)55-5/h22-24,26-28,31,36H,6-21,25,29-30H2,1-5H3,(H,45,49)(H,46,50)(H,52,53)/t36-/m0/s1


name: 3-(m-Aminophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxopropionamide
cas: 31522-24-4
chemspiderid: 2283694
dtxsid: DTXSID80185420
formula: C17H17Cl1N2O4
inchikey: ZBCHZFVYNMECCF-UHFFFAOYSA-N
norman_susdat_id: NS00029121
pubchem_cid: 3015577
smiles: COc1cc(NC(=O)CC(=O)c2cc(N)ccc2)c(OC)cc1Cl
inchi:
InChI=1S/C17H17ClN2O4/c1-23-15-8-13(16(24-2)7-12(15)18)20-17(22)9-14(21)10-4-3-5-11(19)6-10/h3-8H,9,19H2,1-2H3,(H,20,22)


name: 2-Carboxyindole-3-butyric acid
cas: 31529-29-0
chemspiderid: 148079
dtxsid: DTXSID5067631
formula: C13H13N1O4
inchikey: IAFOXRHFSQERNU-UHFFFAOYSA-N
norman_susdat_id: NS00029122
pubchem_cid: 169314
smiles: OC(=O)CCCc1c([nH]c2c1cccc2)C(=O)O
inchi:
InChI=1S/C13H13NO4/c15-11(16)7-3-5-9-8-4-1-2-6-10(8)14-12(9)13(17)18/h1-2,4,6,14H,3,5,7H2,(H,15,16)(H,17,18)


name: 2-acetyl-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
cas: 31537-71-0
formula: C22H27NO5
inchikey: JIDKUPJJVWNDTF-UHFFFAOYSA-N
norman_susdat_id: NS00052199
pubchem_cid: 100069
smiles: O=C(N1CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)C
inchi:
InChI=1/C22H27NO5/c1-14(24)23-9-8-16-12-21(27-4)22(28-5)13-17(16)18(23)10-15-6-7-19(25-2)20(11-15)26-3/h6-7,11-13,18H,8-10H2,1-5H3


name: 4'-fluoro-4-(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyrophenone hydrochloride
cas: 31540-62-2
formula: C21H20F2N2O
inchikey: LGNFRLBPCVLGOB-UHFFFAOYSA-N
norman_susdat_id: NS00051329
pubchem_cid: 35836
smiles: Cl.O=C(C1=CC=C(F)C=C1)CCCN2CC=3C=4C=C(F)C=CC4NC3CC2
inchi:
InChI=1/C21H20F2N2O.ClH/c22-15-5-3-14(4-6-15)21(26)2-1-10-25-11-9-20-18(13-25)17-12-16(23)7-8-19(17)24-20;/h3-8,12,24H,1-2,9-11,13H2;1H


name: Octadecanoic acid, tridecyl ester
cas: 31556-45-3
chemspiderid: 32975
dtxsid: DTXSID2027967
formula: C31H62O2
inchikey: GKAVWWCJCPVMNR-UHFFFAOYSA-N
norman_susdat_id: NS00014167
pubchem_cid: 35847
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC
inchi:
InChI=1S/C31H62O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-14-12-10-8-6-4-2/h3-30H2,1-2H3


name: 5,12-dihydro-5,12-bis(phenylethynyl)naphthacene-5,12-diol
cas: 31559-43-0
dtxsid: DTXSID50885506
formula: C34H22O2
inchikey: YMKQDNKFEZLLTK-UHFFFAOYSA-N
norman_susdat_id: NS00051330
pubchem_cid: 169320
smiles: OC1(C#CC=2C=CC=CC2)C=3C=CC=CC3C(O)(C#CC=4C=CC=CC4)C5=CC=6C=CC=CC6C=C51
inchi:
InChI=1/C34H22O2/c35-33(21-19-25-11-3-1-4-12-25)29-17-9-10-18-30(29)34(36,22-20-26-13-5-2-6-14-26)32-24-28-16-8-7-15-27(28)23-31(32)33/h1-18,23-24,35-36H


name: Di(tert-dodecyl) pentasulphide
cas: 31565-23-8
dtxsid: DTXSID5040259
formula: C24H50S5
inchikey: DUSWAJDANSZRTP-UHFFFAOYSA-N
norman_susdat_id: NS00051331
pubchem_cid: NA
smiles: S(SSC(C)(C)C(C)C(C)(C)C(C)(C)C)SSC(C)(C)C(C)C(C)(C)C(C)(C)C
inchi:
InChI=1/C24H50S5/c1-17(21(9,10)19(3,4)5)23(13,14)25-27-29-28-26-24(15,16)18(2)22(11,12)20(6,7)8/h17-18H,1-16H3


name: Isotridecyl stearate
cas: 31565-37-4
chemspiderid: 140812
dtxsid: DTXSID9029352
formula: C31H62O2
inchikey: SRBSSROHORQGBO-UHFFFAOYSA-N
norman_susdat_id: NS00019608
pubchem_cid: 160206
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31(32)33-29-26-23-20-17-16-18-21-24-27-30(2)3/h30H,4-29H2,1-3H3


name: Isodecyl stearate
cas: 31565-38-5
chemspiderid: 85211
dtxsid: DTXSID0067636
formula: C28H56O2
inchikey: BCNMHJYHRSTPJY-UHFFFAOYSA-N
norman_susdat_id: NS00013777
pubchem_cid: 94422
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C28H56O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h27H,4-26H2,1-3H3


name: Glyceryl monostearate
cas: 31566-31-1
chebiid: CHEBI:75557
chemspiderid: 23095
dtxsid: DTXSID7027968
formula: C21H42O4
inchikey: VBICKXHEKHSIBG-UHFFFAOYSA-N
norman_susdat_id: NS00006688
pubchem_cid: 24699
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3


name: 8-Hydroxyquinoline-5,7-disulphonic acid
cas: 31568-84-0
chemspiderid: 64873
dtxsid: DTXSID00185462
formula: C9H7N1O7S2
inchikey: XSULSEYNDUGHLM-UHFFFAOYSA-N
norman_susdat_id: NS00029133
pubchem_cid: 71856
smiles: Oc1c(cc(c2cccnc12)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C9H7NO7S2/c11-9-7(19(15,16)17)4-6(18(12,13)14)5-2-1-3-10-8(5)9/h1-4,11H,(H,12,13,14)(H,15,16,17)


name: Tris(2,4-di-tert-butylphenyl) phosphite
cas: 31570-04-4
chebiid: CHEBI:144343
chemspiderid: 82711
dtxsid: DTXSID2027969
formula: C42H63O3P1
inchikey: JKIJEFPNVSHHEI-UHFFFAOYSA-N
norman_susdat_id: NS00003587
pubchem_cid: 91601
smiles: CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc2ccc(cc2C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C
inchi:
InChI=1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3


name: Heraclenol
cas: 31575-93-6
chebiid: CHEBI:93899
formula: C16H16O6
inchikey: FOINLJRVEBYARJ-UHFFFAOYSA-N
norman_susdat_id: NS00097261
smiles: CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O
inchi:
InChI=1S/C16H16O6/c1-16(2,19)11(17)8-21-15-13-10(5-6-20-13)7-9-3-4-12(18)22-14(9)15/h3-7,11,17,19H,8H2,1-2H3


name: (R)-1-[o-(allyloxy)phenoxy]-3-(isopropylamino)propan-2-ol
cas: 31576-00-8
formula: C15H23NO3
inchikey: CEMAWMOMDPGJMB-CYBMUJFWSA-N
norman_susdat_id: NS00084225
smiles: CC(C)NC[C@@H](O)COc1ccccc1OCC=C
inchi:
InChI=1/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3


name: 1,3-Benzenediol, 5-pentadecyl-
cas: 3158-56-3
chebiid: CHEBI:2120
chemspiderid: 69081
dtxsid: DTXSID7062875
formula: C21H36O2
inchikey: KVVSCMOUFCNCGX-UHFFFAOYSA-N
norman_susdat_id: NS00020193
pubchem_cid: 76617
smiles: CCCCCCCCCCCCCCCc1cc(O)cc(O)c1
inchi:
InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3


name: 2-[3-(3-benzyl-4-methyl-4-thiazolin-2-ylidene)propenyl]-6-chloro-3-methylbenzoxazolium iodide
cas: 31580-45-7
dtxsid: DTXSID10885507
formula: C22H20ClN2OS
inchikey: ZWMRMEUMYOTEGN-UHFFFAOYSA-M
norman_susdat_id: NS00050009
pubchem_cid: NA
smiles: [I-].ClC=1C=CC2=C(OC(C=CC=C3SC=C(N3CC=4C=CC=CC4)C)=[N+]2C)C1
inchi:
InChI=1/C22H20ClN2OS.HI/c1-16-15-27-22(25(16)14-17-7-4-3-5-8-17)10-6-9-21-24(2)19-12-11-18(23)13-20(19)26-21;/h3-13,15H,14H2,1-2H3;1H/q+1;/p-1


name: Cinoxolone
cas: 31581-02-9
chemspiderid: 16736884
dtxsid: DTXSID90185471
formula: C41H56O5
inchikey: LLHKWQVCQJLCRR-FUMGLWPYSA-N
norman_susdat_id: NS00029135
pubchem_cid: 6436157
inchi:
InChI=1S/C41H56O5/c1-27(42)46-33-16-18-39(7)31(35(33,2)3)15-19-40(8)38(6)23-22-36(4)20-21-37(5,26-30(36)29(38)25-32(43)41(39,40)9)34(44)45-24-17-28-13-11-10-12-14-28/h10-14,17,24-25,30-31,33H,15-16,18-23,26H2,1-9H3/b24-17+/t30-,31-,33+,36+,37+,38+,39-,40-,41+/m0/s1

smiles:
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(C[C@H]5C4=CC(=O)[C@]23C)C(=O)O/C=C/c2ccccc2)C1(C)C


name: Bismuth sodium tartrate
cas: 31586-77-3
formula: C4H6O6.xBi.xNa
inchikey: KCUPKLJADFPUEZ-UHFFFAOYSA-L
norman_susdat_id: NS00083940
smiles: [BiH3+3].[Na+].O=C([O-])C(O)C(O)C([O-])=O
inchi:
InChI=1/C4H6O6.Bi.Na.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+3;+1;;;/p-2/rC4H6O6.BiH3.Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;/q;+3;+1/p-2


cas: 31587-78-7
formula: C16H33NO3
norman_susdat_id: NS00101222
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(1-oxododecyl)imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


cas: 31598-52-4
dtxsid: DTXSID10953558
formula: C36H41Cl3N4O4
inchikey: YRDPBPLUAPBDQV-UHFFFAOYSA-N
norman_susdat_id: NS00051344
pubchem_cid: 3084546
smiles: O=C(NC1=NN(C(=O)C1)C=2C(Cl)=CC(Cl)=CC2Cl)C=3C=CC=C(C3)NC(=O)C(OC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC)CC
name:
3-[[2-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide

inchi:
InChI=1/C36H41Cl3N4O4/c1-8-28(47-29-15-14-22(35(4,5)9-2)17-25(29)36(6,7)10-3)34(46)40-24-13-11-12-21(16-24)33(45)41-30-20-31(44)43(42-30)32-26(38)18-23(37)19-27(32)39/h11-19,28H,8-10,20H2,1-7H3,(H,40,46)(H,41,42,45)


name: (E)-4,4'-(1,2-diethylethylene)diphenyl bis(hydrogen sulphate)
cas: 316-23-4
formula: C18H20O8S2
inchikey: JQFXYBUUBRTZSR-UHFFFAOYSA-N
norman_susdat_id: NS00041844
pubchem_cid: 92752
smiles: O=S(=O)(O)OC1=CC=C(C=C1)C(=C(C2=CC=C(OS(=O)(=O)O)C=C2)CC)CC
inchi:
InChI=1/C18H20O8S2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)


name: Berberine sulphate
cas: 316-41-6
formula: C20H18NO4.1/2O4S
inchikey: OJVABJMSSDUECT-UHFFFAOYSA-L
norman_susdat_id: NS00079278
smiles: COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC.COc6ccc7cc8c9cc%10OCOc%10cc9CC[n+]8cc7c6OC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2


name: Emetine hydrochloride
cas: 316-42-7
formula: C29H40N2O4.2ClH
inchikey: HUEYSSLYFJVUIS-MRFSYGAJSA-N
norman_susdat_id: NS00079465
smiles: Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(OC)c(OC)cc45
inchi:
InChI=1/C29H40N2O4.ClH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H


name: 5-Fluorouridine
cas: 316-46-1
chebiid: CHEBI:40154
chemspiderid: 1755
dtxsid: DTXSID4040397
formula: C9H11F1N2O6
inchikey: FHIDNBAQOFJWCA-UAKXSSHOSA-N
norman_susdat_id: NS00015326
pubchem_cid: 9427
smiles: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F
inchi:
InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1


name: Thioproperazine
cas: 316-81-4
chebiid: CHEBI:59120
chemspiderid: 9058
dtxsid: DTXSID1023655
formula: C22H30N4O2S2
inchikey: VZYCZNZBPPHOFY-UHFFFAOYSA-N
norman_susdat_id: NS00006935
pubchem_cid: 9429
smiles: CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
inchi:
InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3


name: 3-Hydroxypromazine
cas: 316-85-8
dtxsid: DTXSID60185488
formula: C17H20N2OS
inchikey: FCWHSDRYYOAXGG-UHFFFAOYSA-N
norman_susdat_id: NS00096938
smiles: CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=CC=CC=C31
inchi:
InChI=1S/C17H20N2OS/c1-18(2)10-5-11-19-14-6-3-4-7-16(14)21-17-12-13(20)8-9-15(17)19/h3-4,6-9,12,20H,5,10-11H2,1-2H3


name: N-benzyloxycarbonyl-L-isoleucine
cas: 3160-59-6
dtxsid: DTXSID80953565
formula: C14H19NO4
inchikey: JSHXJPFZKBRLFU-KFJBMODSSA-N
norman_susdat_id: NS00045608
pubchem_cid: 11065351
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)C(C)CC
inchi:
InChI=1/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)


name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-(1,1-dimethylethyl)phenyl ester
cas: 31600-99-4
chemspiderid: 148091
dtxsid: DTXSID5067639
formula: C20H18N2O4S1
inchikey: XPOZBIYYMBIUAO-UHFFFAOYSA-N
norman_susdat_id: NS00029147
pubchem_cid: 169328
smiles: CC(C)(C)c1ccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cc1
inchi:
InChI=1S/C20H18N2O4S/c1-20(2,3)13-7-9-14(10-8-13)26-27(24,25)18-6-4-5-16-15(18)11-12-17(22-21)19(16)23/h4-12H,1-3H3


name: 4-butyl-2-phenyl-1-[4-(phenylmethoxy)phenyl]pyrazolidine-3,5-dione
cas: 31603-00-6
dtxsid: DTXSID60953568
formula: C26H26N2O3
inchikey: VQAREFIHUMMGEN-UHFFFAOYSA-N
norman_susdat_id: NS00050010
pubchem_cid: 3015580
smiles: O=C1N(C=2C=CC=CC2)N(C3=CC=C(OCC=4C=CC=CC4)C=C3)C(=O)C1CCCC
inchi:
InChI=1/C26H26N2O3/c1-2-3-14-24-25(29)27(21-12-8-5-9-13-21)28(26(24)30)22-15-17-23(18-16-22)31-19-20-10-6-4-7-11-20/h4-13,15-18,24H,2-3,14,19H2,1H3


name: 4-diethylamino-2-ethoxybenzenediazonium zinc chloride
cas: 31605-03-5
formula: C12H18N3O.xCl2Zn.Cl
inchikey: VXZOQWHDJGFQKJ-UHFFFAOYSA-M
norman_susdat_id: NS00084232
smiles: [Cl-].[Zn+2].CCOc1cc(ccc1[N+]#N)N(CC)CC
inchi:
InChI=1/C12H18N3O.ClH.Zn/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3;;/h7-9H,4-6H2,1-3H3;1H;/q+1;;+2/p-1


name: N-cyclohexyl-N-methyl-2-nitrobenzylamine monohydrochloride
cas: 31611-42-4
dtxsid: DTXSID10953578
formula: C14H21N2O2
inchikey: PQFZZEBNJWAUOG-UHFFFAOYSA-N
norman_susdat_id: NS00050551
pubchem_cid: NA
smiles: Cl.O=[N+]([O-])C=1C=CC=CC1CN(C)C2CCCCC2
inchi:
InChI=1/C14H20N2O2.ClH/c1-15(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)16(17)18;/h5-7,10,13H,2-4,8-9,11H2,1H3;1H


name: 2-[2-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 31612-53-0
dtxsid: DTXSID30885509
formula: C22H24N3
inchikey: LREPJTVZWHYTSV-UHFFFAOYSA-M
norman_susdat_id: NS00050011
pubchem_cid: NA
smiles: [Cl-].N1=C(C=2C=CC=CC2)CCN1C=CC3=[N+](C=4C=CC=CC4C3(C)C)C
inchi:
InChI=1/C22H24N3.ClH/c1-22(2)18-11-7-8-12-20(18)24(3)21(22)14-16-25-15-13-19(23-25)17-9-5-4-6-10-17;/h4-12,14,16H,13,15H2,1-3H3;1H/q+1;/p-1


name: Anthra[1,2-c]benzimidazo[2,1-i]benzo[lmn][2,8]phenanthroline-5,9,20(6H)-trione
cas: 31616-64-5
dtxsid: DTXSID80953580
formula: C32H15N3O3
inchikey: NEFHTDXKDJVQPK-UHFFFAOYSA-N
norman_susdat_id: NS00051345
pubchem_cid: 136170986
smiles: O=C1C=2C=CC=CC2C(=O)C3=C1C=CC=4C=5C=CC=6C7=NC=8C=CC=CC8N7C(=O)C9=CC=C(NC43)C5C96
inchi:
InChI=1/C32H15N3O3/c36-29-17-5-1-2-6-18(17)30(37)27-19(29)11-10-16-15-9-12-20-25-21(13-14-23(26(15)25)33-28(16)27)32(38)35-24-8-4-3-7-22(24)34-31(20)35/h1-14,33H


name: [2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-toluidino]ethyl]trimethylammonium
cas: 31616-66-7
formula: C22H29N6S
inchikey: OBOPQJVCYIBVIV-UHFFFAOYSA-N
norman_susdat_id: NS00084226
smiles: C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3
inchi:
InChI=1/C22H29N6S/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18/h7-13,16H,6,14-15H2,1-5H3/q+1


name: JWH-098
cas: 316189-74-9
chemspiderid: 24628229
dtxsid: DTXSID80185501
formula: C26H27N1O2
inchikey: CNTCHEBQQFICNR-UHFFFAOYSA-N
norman_susdat_id: NS00017613
pubchem_cid: 45272116
smiles: CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC)C
inchi:
InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3


name: 1,5-diaminodibromo-4,8-dihydroxyanthraquinone
cas: 31626-19-4
formula: C14H8Br2N2O4
inchikey: HGUBNCBSHOOOLZ-UHFFFAOYSA-N
norman_susdat_id: NS00051346
pubchem_cid: 53876483
smiles: O=C1C=2C(O)=CC(Br)=C(N)C2C(=O)C=3C(O)=C(Br)C=C(N)C13
inchi:
InChI=1/C14H8Br2N2O4/c15-3-2-6(19)8-9(11(3)18)14(22)10-7(13(8)21)5(17)1-4(16)12(10)20/h1-2,19-20H,17-18H2


name: N(4)-Acetylsulphasomidine
cas: 3163-31-3
chemspiderid: 69089
dtxsid: DTXSID90185512
formula: C14H16N4O3S1
inchikey: FLJTYRIRNQBLOK-UHFFFAOYSA-N
norman_susdat_id: NS00029154
pubchem_cid: 76625
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)nc(C)c1
inchi:
InChI=1S/C14H16N4O3S/c1-9-8-14(16-10(2)15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)


name: Chromium(3+) tris(diethyl) tris(phosphate)
cas: 31636-06-3
formula: C4H11O4P.1/3Cr
inchikey: PNEDZBLXYVGGRU-UHFFFAOYSA-K
norman_susdat_id: NS00084265
smiles: CCOP(=O)(OCC)O[Cr](OP(=O)(OCC)OCC)OP(=O)(OCC)OCC
inchi:
InChI=1/3C4H11O4P.Cr/c3*1-3-7-9(5,6)8-4-2;/h3*3-4H2,1-2H3,(H,5,6);/q;;;+3/p-3/rC12H30CrO12P3/c1-7-17-26(14,18-8-2)23-13(24-27(15,19-9-3)20-10-4)25-28(16,21-11-5)22-12-6/h7-12H2,1-6H3


name: Tris(m-nitrophenyl)phosphine oxide
cas: 31638-89-8
chemspiderid: 89094
dtxsid: DTXSID0021703
formula: C18H12N3O7P1
inchikey: FWOBSCMZCLNISM-UHFFFAOYSA-N
norman_susdat_id: NS00029155
pubchem_cid: 98651
smiles: [O-][N+](=O)c1cc(ccc1)P(=O)(c1cc(ccc1)[N+](=O)[O-])c1cc(ccc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H12N3O7P/c22-19(23)13-4-1-7-16(10-13)29(28,17-8-2-5-14(11-17)20(24)25)18-9-3-6-15(12-18)21(26)27/h1-12H


name: 3,4,5-Trimethoxy-N-3-pyridylbenzamide
cas: 31638-96-7
chemspiderid: 590643
dtxsid: DTXSID00185523
formula: C15H16N2O4
inchikey: PGTYKYABUDWSST-UHFFFAOYSA-N
norman_susdat_id: NS00029156
pubchem_cid: 678080
smiles: COc1cc(cc(OC)c1OC)C(=O)Nc1cnccc1
inchi:
InChI=1S/C15H16N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h4-9H,1-3H3,(H,17,18)


name: Tricopper(2+) bis[2-hydroxypropane-1,2,3-tricarboxylate]
cas: 3164-31-6
formula: C6H8O7.3/2Cu
inchikey: LIYLDSGTTVRRIP-UHFFFAOYSA-H
norman_susdat_id: NS00081602
smiles: [Cu+2].[Cu+2].[Cu+2].[O-]C(=O)C([O-])(CC([O-])=O)CC(=O)[O-].[O-]C(=O)CC([O-])(CC([O-])=O)C([O-])=O
inchi:
InChI=1/2C6H7O7.3Cu/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q2*-1;3*+2/p-6


name: Octyl diphenyl phosphite
cas: 3164-55-4
dtxsid: DTXSID1062881
formula: C20H27O3P
inchikey: AXRSHKZFNKUGQB-UHFFFAOYSA-N
norman_susdat_id: NS00045643
pubchem_cid: 76627
smiles: O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OCCCCCCCC
inchi:
InChI=1/C20H27O3P/c1-2-3-4-5-6-13-18-21-24(22-19-14-9-7-10-15-19)23-20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3


name: Bis(2-ethylhexyl) phenyl phosphite
cas: 3164-60-1
dtxsid: DTXSID80863115
formula: C22H39O3P
inchikey: AAQUCXJJDQZZOJ-UHFFFAOYSA-N
norman_susdat_id: NS00045657
pubchem_cid: 102947
smiles: O(C=1C=CC=CC1)P(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1/C22H39O3P/c1-5-9-14-20(7-3)18-23-26(25-22-16-12-11-13-17-22)24-19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3


name: 1-octadecylpyridinium chloride
cas: 3165-81-9
dtxsid: DTXSID40953622
formula: C23H42N
inchikey: WJDJWDHXZBNQNE-UHFFFAOYSA-M
norman_susdat_id: NS00046244
pubchem_cid: 76629
smiles: [Cl-].C=1C=C[N+](=CC1)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H42N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24;/h17,19-20,22-23H,2-16,18,21H2,1H3;1H/q+1;/p-1


name: 17|A-Ethyl-5|A-estrane-3|A,17|A-diol
cas: 31658-50-1
chemspiderid: 23254516
dtxsid: DTXSID00478225
formula: C20H34O2
inchikey: GUBNWXDDDXQJOQ-UHFFFAOYSA-N
norman_susdat_id: NS00040577
pubchem_cid: 12133281
smiles: CCC1(O)CCC2C3CCC4CC(O)CCC4C3CCC12C
inchi:
InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3


name: Methylbenactyzium bromide
cas: 3166-62-9
chebiid: CHEBI:31834
formula: C21H28NO3.Br
inchikey: DKMVJQCQTCLYIF-UHFFFAOYSA-M
norman_susdat_id: NS00081233
smiles: [Br-].CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2
inchi:
InChI=1/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1


name: Propane-1,2,3-triyl trioctacosanoate
cas: 31661-27-5
dtxsid: DTXSID20185560
formula: C87H170O6
inchikey: CWJVVYLURLZFDN-UHFFFAOYSA-N
norman_susdat_id: NS00050706
pubchem_cid: 22889660
inchi:
InChI=1/C87H170O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-85(88)91-82-84(93-87(90)81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h84H,4-83H2,1-3H3

smiles:
O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC


cas: 31675-93-1
formula: C43H34N6O20S5
inchikey: OTAVFSUYDCNWOO-UHFFFAOYSA-N
norman_susdat_id: NS00050750
pubchem_cid: NA
name:
3-[[4-[[8-(benzoylamino)-1-hydroxy-3,6-disulpho-2-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-4-hydroxy-5-[[4-(methylsulphonyl)benzoyl]amino]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C43H34N6O20S5/c1-68-32-20-29(47-49-39-35(74(65,66)67)16-24-14-27(72(59,60)61)18-31(37(24)41(39)51)45-43(53)22-9-11-25(12-10-22)70(3,54)55)33(69-2)19-28(32)46-48-38-34(73(62,63)64)15-23-13-26(71(56,57)58)17-30(36(23)40(38)50)44-42(52)21-7-5-4-6-8-21/h4-20,50-51H,1-3H3,(H,44,52)(H,45,53)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)

smiles:
O=C(NC1=CC(=CC=2C=C(C(N=NC=3C=C(OC)C(N=NC4=C(O)C5=C(C=C(C=C5NC(=O)C6=CC=C(C=C6)S(=O)(=O)C)S(=O)(=O)O)C=C4S(=O)(=O)O)=CC3OC)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C=7C=CC=CC7


cas: 31676-23-0
formula: C20H24N4O9S3
inchikey: UCWALYFQJRFGBX-UHFFFAOYSA-M
norman_susdat_id: NS00050242
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC=C(OC)C=C1OC)C(N=NC2=CC=C(C=C2)S(=O)(=O)NCCSS(=O)(=O)[O-])C(=O)C
name:
Sodium S-[2-[[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]sulphonyl]amino]ethyl] thiosulphate

inchi:
InChI=1/C20H24N4O9S3.Na/c1-13(25)19(20(26)22-17-9-6-15(32-2)12-18(17)33-3)24-23-14-4-7-16(8-5-14)35(27,28)21-10-11-34-36(29,30)31;/h4-9,12,19,21H,10-11H2,1-3H3,(H,22,26)(H,29,30,31);/q;+1/p-1


name: Sodium 2-[[[4-(anilino)phenyl]imino]methyl]benzenesulphonate
cas: 3168-95-4
formula: C19H16N2O3S
inchikey: ZXTPVTZFEOEZGG-UHFFFAOYSA-M
norman_susdat_id: NS00045659
pubchem_cid: 3014179
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1C=NC2=CC=C(C=C2)NC=3C=CC=CC3
inchi:
InChI=1/C19H16N2O3S.Na/c22-25(23,24)19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)21-17-7-2-1-3-8-17;/h1-14,21H,(H,22,23,24);/q;+1/p-1


name: Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(trimethoxysilyl)propyl]ammonium chloride
cas: 31681-13-7
dtxsid: DTXSID00885511
formula: C14H30NO5Si
inchikey: YZEPTPHNQLPQIU-UHFFFAOYSA-M
norman_susdat_id: NS00050261
pubchem_cid: 160208
smiles: [Cl-].O=C(OCC[N+](C)(C)CCC[Si](OC)(OC)OC)C(=C)C
inchi:
InChI=1/C14H30NO5Si.ClH/c1-13(2)14(16)20-11-10-15(3,4)9-8-12-21(17-5,18-6)19-7;/h1,8-12H2,2-7H3;1H/q+1;/p-1


name: 4-{2-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)amino]ethyl}benzene-1-sulfonamide
cas: 316826-59-2
dtxsid: DTXSID70896235
formula: C12H11F9N2O4S2
inchikey: LGEFNMHGQQWZJQ-UHFFFAOYSA-N
norman_susdat_id: NS00111468
smiles: NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C12H11F9N2O4S2/c13-9(14,11(17,18)19)10(15,16)12(20,21)29(26,27)23-6-5-7-1-3-8(4-2-7)28(22,24)25/h1-4,23H,5-6H2,(H2,22,24,25)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-[(4-sulfamoylphenyl)methyl]nonanamide
cas: 316827-33-5
dtxsid: DTXSID30896251
formula: C16H9F17N2O3S
inchikey: JHVJTHXQPPKMEA-UHFFFAOYSA-N
norman_susdat_id: NS00110092
smiles: NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C16H9F17N2O3S/c17-9(18,8(36)35-5-6-1-3-7(4-2-6)39(34,37)38)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,5H2,(H,35,36)(H2,34,37,38)


cas: 31685-80-0
formula: C21H30O4
inchikey: WTKBZJAWPZXKJU-UHFFFAOYSA-N
norman_susdat_id: NS00097139
smiles: CC12CCCC(C1CCC(=C)C2CCC3=CCOC3=O)(C)C(=O)OC
name:
Methyl 1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate

inchi:
InChI=1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3


name: N,1-bis(tert-butoxycarbonyl)-L-histidine, compound with dicyclohexylamine (1:1)
cas: 31687-58-8
dtxsid: DTXSID20185580
formula: C16H25N3O6
inchikey: WBGMQHNUPJENDC-MERQFXBCSA-N
norman_susdat_id: NS00050751
pubchem_cid: 5066541
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC=1N=CN(C1)C(=O)OC(C)(C)C.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C16H25N3O6.C12H23N/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21);11-13H,1-10H2


name: Penta(methoxymethyl)melamine
cas: 3169-30-0
dtxsid: DTXSID30596249
formula: C13H26N6O5
inchikey: LEVZZYOVVQKGOM-UHFFFAOYSA-N
norman_susdat_id: NS00067064
smiles: COCNC1=NC(=NC(=N1)N(COC)COC)N(COC)COC
inchi:
InChI=1S/C13H26N6O5/c1-20-6-14-11-15-12(18(7-21-2)8-22-3)17-13(16-11)19(9-23-4)10-24-5/h6-10H2,1-5H3,(H,14,15,16,17)


name: Folitixorin
cas: 31690-11-6
chebiid: CHEBI:1989
dtxsid: DTXSID60185584
formula: C20H23N7O6
inchikey: QYNUQALWYRSVHF-OLZOCXBDSA-N
norman_susdat_id: NS00069867
smiles: Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2
inchi:
InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1


name: AMMONIUM NONOXY- NOL-4 SULFATE
cas: 31691-97-1
chemspiderid: 148108
formula: C17H28O5S1
inchikey: LYXIQGSHERAWKV-UHFFFAOYSA-N
norman_susdat_id: NS00013362
pubchem_cid: 169349
smiles: [NH4+].CCCCCCCCCc1ccc(OCCO[S]([O-])(=O)=O)cc1
inchi:
InChI=1S/C17H28O5S.H3N/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)21-14-15-22-23(18,19)20;/h10-13H,2-9,14-15H2,1H3,(H,18,19,20);1H3


name: Adipic acid, compound with 1-methyldodecylamine (1:1)
cas: 31698-46-1
dtxsid: DTXSID70953650
formula: C6H10O4
inchikey: KSSLXPBOOBFKAE-UHFFFAOYSA-N
norman_susdat_id: NS00051537
pubchem_cid: 160211
smiles: O=C(O)CCCCC(=O)O.NC(C)CCCCCCCCCCC
inchi:
InChI=1/C13H29N.C6H10O4/c1-3-4-5-6-7-8-9-10-11-12-13(2)14;7-5(8)3-1-2-4-6(9)10/h13H,3-12,14H2,1-2H3;1-4H2,(H,7,8)(H,9,10)


name: Hexafluronium bromide
cas: 317-52-2
dtxsid: DTXSID6048753
formula: C36H42N2
inchikey: WDEFPRUEZRUYNW-UHFFFAOYSA-L
norman_susdat_id: NS00041835
pubchem_cid: 9434
smiles: [Br-].[Br-].C=1C=CC2=C(C1)C=3C=CC=CC3C2[N+](C)(C)CCCCCC[N+](C)(C)C4C=5C=CC=CC5C=6C=CC=CC64
inchi:
InChI=1/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2


name: S-propionylcoenzyme A
cas: 317-66-8
dtxsid: DTXSID10185594
formula: C18H28N6O12P2S
inchikey: IBXGFBZQOYTDGC-UHFFFAOYSA-N
norman_susdat_id: NS00042291
pubchem_cid: NA
smiles: O=C(SCCNC(=O)CCOP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC
inchi:
InChI=1/C18H28N6O12P2S/c1-2-12(26)39-6-4-20-11(25)3-5-33-38(31,32)34-7-10-15(36-37(28,29)30)14(27)18(35-10)24-9-23-13-16(19)21-8-22-17(13)24/h8-10,14-15,18,27H,2-7H2,1H3,(H,20,25)(H,31,32)(H2,19,21,22)(H2,28,29,30)


name: Hydrogen bis[1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphtholato(2-)]chromate(1-)
cas: 31714-55-3
formula: C32H18Cl2CrN4O4.H
inchikey: HOMXPGRNXLQWJA-UHFFFAOYSA-K
norman_susdat_id: NS00084058
smiles: Oc1ccc(Cl)cc1N=Nc2c(O[Cr]3Oc4ccc(Cl)cc4N=Nc5c(O3)ccc6ccccc56)ccc7ccccc27
inchi:
InChI=1/2C16H11ClN2O2.Cr/c2*17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;/h2*1-9,20-21H;/q;;+3/p-3/rC32H19Cl2CrN4O4/c33-21-11-13-27(40)25(17-21)36-38-31-23-7-3-1-5-19(23)9-14-29(31)42-35-41-28-16-12-22(34)18-26(28)37-39-32-24-8-4-2-6-20(24)10-15-30(32)43-35/h1-18,40H


name: 1-amino-5-hydroxy-4-[(1-methylpropyl)amino]-8-nitroanthraquinone
cas: 31715-42-1
dtxsid: DTXSID20885513
formula: C18H18N3O5
inchikey: WQNHLAKNRJAPAL-UHFFFAOYSA-N
norman_susdat_id: NS00051538
pubchem_cid: NA
smiles: O=C1C=2C(O)=CC=C(C2C(=O)C=3C(N)=CC=C(NC(C)CC)C13)[N+](=O)[O-]
inchi:
InChI=1/C18H17N3O5/c1-3-8(2)20-10-5-4-9(19)13-14(10)18(24)16-12(22)7-6-11(21(25)26)15(16)17(13)23/h4-8,20,22H,3,19H2,1-2H3


name: 6,15-Dimethoxybenzo(b)naphth(1',2',3':1,8)isoquino(5,4-hi)thebenidine-9,18-dione
cas: 31715-57-8
chemspiderid: 21229758
dtxsid: DTXSID10185610
formula: C34H50N2O4
inchikey: BLKCDOIRQUQMOG-UHFFFAOYSA-N
norman_susdat_id: NS00029167
pubchem_cid: 56841805
smiles: COc1c2c3c4c(c(OC)nc5c6ccccc6C(=O)c(cc3)c45)c3c2c2c(cc3)C(=O)c3ccccc3c2n1
inchi:
InChI=1S/C34H50N2O4/c1-39-33-27-19-11-13-22-26-24(19)28(34(40-2)36-30(26)16-8-4-6-10-18(16)32(22)38)20-12-14-21-25(23(20)27)29(35-33)15-7-3-5-9-17(15)31(21)37/h15-30,33-36H,3-14H2,1-2H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24-,25+,26-,27+,28-,29+,30+,33+,34+/m1/s1


name: Dodemorph acetate
cas: 31717-87-0
formula: C18H35NO.C2H4O2
inchikey: YLJLLELGHSWIDU-UHFFFAOYSA-N
norman_susdat_id: NS00084355
smiles: CC1CN(CC(C)O1)C2CCCCCCCCCCC2.CC(=O)O
inchi:
InChI=1/C18H35NO.C2H4O2/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18;1-2(3)4/h16-18H,3-15H2,1-2H3;1H3,(H,3,4)


name: Bis([1,1'-biphenyl]-4-yl)diphenylsilane
cas: 3172-33-6
dtxsid: DTXSID6062886
formula: C36H28Si
inchikey: HCKMRFVWQPVCFY-UHFFFAOYSA-N
norman_susdat_id: NS00045688
pubchem_cid: 76636
smiles: C=1C=CC(=CC1)C=2C=CC(=CC2)[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC(=CC5)C=6C=CC=CC6
inchi:
InChI=1/C36H28Si/c1-5-13-29(14-6-1)31-21-25-35(26-22-31)37(33-17-9-3-10-18-33,34-19-11-4-12-20-34)36-27-23-32(24-28-36)30-15-7-2-8-16-30/h1-28H


name: Biphenyl-4-yltriphenylsilane
cas: 3172-34-7
dtxsid: DTXSID1062887
formula: C30H24Si
inchikey: KIKBAQXCRQQWGH-UHFFFAOYSA-N
norman_susdat_id: NS00046246
pubchem_cid: 76637
smiles: C=1C=CC(=CC1)C=2C=CC(=CC2)[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C30H24Si/c1-5-13-25(14-6-1)26-21-23-30(24-22-26)31(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H


name: Quinupramine
cas: 31721-17-2
chebiid: CHEBI:135292
chemspiderid: 84098
formula: C21H24N2
inchikey: JCBQCKFFSPGEDY-UHFFFAOYSA-N
norman_susdat_id: NS00002301
pubchem_cid: 93154
smiles: C1CN2CCC1C(C2)N1c2ccccc2CCc2ccccc12
inchi:
InChI=1S/C21H24N2/c1-3-7-19-16(5-1)9-10-17-6-2-4-8-20(17)23(19)21-15-22-13-11-18(21)12-14-22/h1-8,18,21H,9-15H2


name: GW501516
cas: 317318-70-0
chebiid: CHEBI:73726
dtxsid: DTXSID3041037
formula: C21H18F3NO3S2
inchikey: YDBLKRPLXZNVNB-UHFFFAOYSA-N
norman_susdat_id: NS00068648
pubchem_cid: 9803963
smiles: Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O
inchi:
InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)


name: (R*,S*)-8,9-dibromo-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadecane
cas: 31732-71-5
dtxsid: DTXSID80885514
formula: C28H56Br2O4Sn2
inchikey: JOMPHQTZQORMCX-UHFFFAOYSA-L
norman_susdat_id: NS00050765
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C(Br)C(Br)C(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C4H4Br2O4.6C4H9.2Sn/c5-1(3(7)8)2(6)4(9)10;6*1-3-4-2;;/h1-2H,(H,7,8)(H,9,10);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56Br2O4Sn2/c1-7-13-19-35(20-14-8-2,21-15-9-3)33-27(31)25(29)26(30)28(32)34-36(22-16-10-4,23-17-11-5)24-18-12-6/h25-26H,7-24H2,1-6H3


name: N,N'-Ethylenebis(3,4,5,6-tetrachlorophthalimide)
cas: 31738-06-4
chemspiderid: 14036962
dtxsid: DTXSID80185627
formula: C18H4Cl8N2O4
inchikey: UXBPFRRDCKDGFX-UHFFFAOYSA-N
norman_susdat_id: NS00029170
pubchem_cid: 15036718
smiles: Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)N(CCN1C(=O)c3c(C1=O)c(Cl)c(Cl)c(Cl)c3Cl)C2=O
inchi:
InChI=1S/C18H4Cl8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2


name: 2-[(4-hydroxy-1-naphthyl)azo]-3,5-dinitrobenzenesulphonic acid
cas: 31748-47-7
formula: C16H12N4O8S
inchikey: CAPWUCGVRLIQOU-UHFFFAOYSA-N
norman_susdat_id: NS00050265
pubchem_cid: 3015590
smiles: O=[N+]([O-])C=1C=C(C(N=NC2=CC=C(O)C=3C=CC=CC23)=C(C1)S(=O)(=O)O)[N+](=O)[O-]
inchi:
InChI=1/C16H10N4O8S/c21-14-6-5-12(10-3-1-2-4-11(10)14)17-18-16-13(20(24)25)7-9(19(22)23)8-15(16)29(26,27)28/h1-8,21H,(H,26,27,28)


name: Myristic acid, compound with 2-aminoethanol (1:1)
cas: 31756-97-5
formula: C14H28O2.C2H7NO
inchikey: KPYDHOVAALYKRO-UHFFFAOYSA-N
norman_susdat_id: NS00084059
smiles: CCCCCCCCCCCCCC(=O)O.NCCO
inchi:
InChI=1/C14H28O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3-1-2-4/h2-13H2,1H3,(H,15,16);4H,1-3H2


name: 2-methyl-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium
cas: 3176-77-0
dtxsid: DTXSID00953704
formula: C15H16NO3S2
inchikey: DTCXTTJRDSLBBR-UHFFFAOYSA-N
norman_susdat_id: NS00044975
pubchem_cid: 102378
smiles: O=S(=O)([O-])CCC[N+]1=C(SC2=CC=C3C=CC=CC3=C21)C
inchi:
InChI=1/C15H15NO3S2/c1-11-16(9-4-10-21(17,18)19)15-13-6-3-2-5-12(13)7-8-14(15)20-11/h2-3,5-8H,4,9-10H2,1H3


name: 1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]-2-naphthol
cas: 3176-79-2
formula: C24H20N4O
inchikey: NHXXLZBKTKNTEF-UHFFFAOYSA-N
norman_susdat_id: NS00044995
pubchem_cid: 99631
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC4=CC=CC(=C4)C)C(=C3)C
inchi:
InChI=1/C24H20N4O/c1-16-6-5-8-19(14-16)25-27-22-12-11-20(15-17(22)2)26-28-24-21-9-4-3-7-18(21)10-13-23(24)29/h3-15,29H,1-2H3


name: 4,11-Diamino-2-butyl-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
cas: 3176-88-3
chemspiderid: 17479
dtxsid: DTXSID70185636
formula: C20H17N3O4
inchikey: UGXWOQHRUHXYIK-UHFFFAOYSA-N
norman_susdat_id: NS00029172
pubchem_cid: 18506
smiles: CCCCn1c(=O)c2c(N)c3c(c(N)c2c1=O)c(=O)c1ccccc1c3=O
inchi:
InChI=1S/C20H17N3O4/c1-2-3-8-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-6-4-5-7-10(9)18(12)25/h4-7H,2-3,8,21-22H2,1H3


name: Ethyl 4-[[3-(aminocarbonyl)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl]azo]benzoate
cas: 31768-46-4
formula: C19H17N5O4
inchikey: XCZDCNNCRLGUAL-UHFFFAOYSA-N
norman_susdat_id: NS00050741
pubchem_cid: 3015593
smiles: O=C(OCC)C1=CC=C(N=NC2C(=O)N(N=C2C(=O)N)C=3C=CC=CC3)C=C1
inchi:
InChI=1/C19H17N5O4/c1-2-28-19(27)12-8-10-13(11-9-12)21-22-16-15(17(20)25)23-24(18(16)26)14-6-4-3-5-7-14/h3-11,16H,2H2,1H3,(H2,20,25)


name: Ethanol, 2-[[4-[(2-chloro-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-
cas: 3177-13-7
chemspiderid: 69106
dtxsid: DTXSID5062891
formula: C18H14Cl1N5O5
inchikey: DQMYXIPCBKSDCB-UHFFFAOYSA-N
norman_susdat_id: NS00029173
pubchem_cid: 76642
smiles: OCCNc1c2ccccc2c(cc1)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H14ClN5O5/c19-14-9-11(23(26)27)10-17(24(28)29)18(14)22-21-16-6-5-15(20-7-8-25)12-3-1-2-4-13(12)16/h1-6,9-10,20,25H,7-8H2/b22-21+


name: Ethyltris(2-hydroxyethyl)ammonium ethyl sulphate
cas: 31774-90-0
dtxsid: DTXSID4067644
formula: C8H20NO3
inchikey: PNFMXLLFVHQXKA-UHFFFAOYSA-M
norman_susdat_id: NS00050754
pubchem_cid: 169357
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCO)CCO
inchi:
InChI=1/C8H20NO3.C2H6O4S/c1-2-9(3-6-10,4-7-11)5-8-12;1-2-6-7(3,4)5/h10-12H,2-8H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]
cas: 31775-16-3
dtxsid: DTXSID00865611
formula: C34H30Cl2N6O6
inchikey: HPYOHJMBDBVTMT-UHFFFAOYSA-N
norman_susdat_id: NS00050266
pubchem_cid: 169359
smiles: O=C(NC1=CC=C(OC)C=C1)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC4=CC=C(OC)C=C4)C(=O)C)C(Cl)=C3)C(=O)C
inchi:
InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-23-7-11-25(47-3)12-8-23)41-39-29-15-5-21(17-27(29)35)22-6-16-30(28(36)18-22)40-42-32(20(2)44)34(46)38-24-9-13-26(48-4)14-10-24/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)


name: 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-ethoxyphenyl)-3-oxobutyramide]
cas: 31775-17-4
dtxsid: DTXSID30953712
formula: C36H34Cl2N6O6
inchikey: LJUPKWWNSAQNRV-UHFFFAOYSA-N
norman_susdat_id: NS00051540
pubchem_cid: 56842348
smiles: O=C(NC=1C=CC=CC1OCC)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4OCC)C(=O)C)C(Cl)=C3)C(=O)C
inchi:
InChI=1/C36H34Cl2N6O6/c1-5-49-31-13-9-7-11-29(31)39-35(47)33(21(3)45)43-41-27-17-15-23(19-25(27)37)24-16-18-28(26(38)20-24)42-44-34(22(4)46)36(48)40-30-12-8-10-14-32(30)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)


cas: 31775-20-9
chemspiderid: 148117
dtxsid: DTXSID40885515
formula: C36H34Cl2N6O6
inchikey: LNBRYDZEIVHGHO-UHFFFAOYSA-N
norman_susdat_id: NS00004765
pubchem_cid: 169360
smiles: CCOc1ccc(NC(=O)C(N=Nc2ccc(cc2Cl)-c2ccc(N=NC(C(C)=O)C(=O)Nc3ccc(OCC)cc3)c(Cl)c2)C(C)=O)cc1
name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-

inchi:
InChI=1S/C36H34Cl2N6O6/c1-5-49-27-13-9-25(10-14-27)39-35(47)33(21(3)45)43-41-31-17-7-23(19-29(31)37)24-8-18-32(30(38)20-24)42-44-34(22(4)46)36(48)40-26-11-15-28(16-12-26)50-6-2/h7-20,33-34H,5-6H2,1-4H3,(H,39,47)(H,40,48)


name: 3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate
cas: 31775-89-0
chemspiderid: NA
formula: C21H36O8S4
inchikey: VTLHIRNKQSFSJS-UHFFFAOYSA-N
norman_susdat_id: NS00001928
pubchem_cid: 54576326
smiles: CC(S)CC(=O)OCC(COC(=O)CC(C)S)(COC(=O)CC(C)S)COC(=O)CC(C)S
inchi:
InChI=1S/C21H36O8S4/c1-13(30)5-17(22)26-9-21(10-27-18(23)6-14(2)31,11-28-19(24)7-15(3)32)12-29-20(25)8-16(4)33/h13-16,30-33H,5-12H2,1-4H3


cas: 31778-10-6
dtxsid: DTXSID9067645
formula: C29H25N5O5
inchikey: OFVRAFISISJRPV-UHFFFAOYSA-N
norman_susdat_id: NS00050267
pubchem_cid: 161725
smiles: O=C(OCCCC)C=1C=CC=CC1N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C5NC(=O)NC5=C4
name:
Butyl 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]benzoate

inchi:
InChI=1/C29H25N5O5/c1-2-3-14-39-28(37)20-10-6-7-11-22(20)33-34-25-19-9-5-4-8-17(19)15-21(26(25)35)27(36)30-18-12-13-23-24(16-18)32-29(38)31-23/h4-13,15-16,35H,2-3,14H2,1H3,(H,30,36)(H2,31,32,38)


name: Benzenesulfonamide, 3-[(5-amino-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthracenyl)amino]-
cas: 3178-78-7
chemspiderid: 69109
dtxsid: DTXSID5062893
formula: C20H15N3O6S1
inchikey: DMYARGFVXSUNTD-UHFFFAOYSA-N
norman_susdat_id: NS00021118
pubchem_cid: 76645
smiles: Nc1ccc(O)c2c1C(=O)c1c(O)ccc(Nc3cccc(c3)S(=O)(=O)N)c1C2=O
inchi:
InChI=1S/C20H15N3O6S/c21-11-4-6-13(24)17-15(11)19(26)18-14(25)7-5-12(16(18)20(17)27)23-9-2-1-3-10(8-9)30(22,28)29/h1-8,23-25H,21H2,(H2,22,28,29)


name: Thiencarbazone-methyl
cas: 317815-83-1
chebiid: CHEBI:145500
chemspiderid: 9380215
dtxsid: DTXSID0058275
formula: C12H14N4O7S2
inchikey: XSKZXGDFSCCXQX-UHFFFAOYSA-N
norman_susdat_id: NS00005087
pubchem_cid: 11205153
smiles: COC(=O)c1csc(C)c1S(=O)(=O)NC(=O)n1nc(OC)n(C)c1=O
inchi:
InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18)


name: 1h,1h-perfluoro-3,6,9-trioxatridecan-1-ol
cas: 317817-24-6
dtxsid: DTXSID20381045
formula: C10H3F19O4
inchikey: WDIFKQOHZPTQIR-UHFFFAOYSA-N
norman_susdat_id: NS00109515
smiles: OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H3F19O4/c11-2(12,1-30)31-7(22,23)8(24,25)33-10(28,29)9(26,27)32-6(20,21)4(15,16)3(13,14)5(17,18)19/h30H,1H2


name: 2-(Diethylamino)ethylstearate
cas: 3179-81-5
chemspiderid: 17484
dtxsid: DTXSID0062896
formula: C24H49N1O2
inchikey: QZJDYFVPLXBWTK-UHFFFAOYSA-N
norman_susdat_id: NS00013577
pubchem_cid: 18512
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCN(CC)CC
inchi:
InChI=1S/C24H49NO2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)27-23-22-25(5-2)6-3/h4-23H2,1-3H3


name: Sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-nitrobenzenesulphonate
cas: 3179-84-8
formula: C16H12N3O7S
inchikey: SYDGESGEMNSMFM-UHFFFAOYSA-M
norman_susdat_id: NS00045690
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC(=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C16H11N3O7S.Na/c20-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(27(24,25)26)8-13(16(12)21)19(22)23;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1


name: Disperse Red 17
cas: 3179-89-3
chemspiderid: 17485
dtxsid: DTXSID80879791
formula: C17H20N4O4
inchikey: ZGFGZIIGLDISMQ-VHEBQXMUSA-N
norman_susdat_id: NS00013641
pubchem_cid: NA
smiles: Cc1ccc(cc1N=Nc2ccc(cc2)[N+]([O-])=O)N(CCO)CCO
inchi:
InChI=1S/C17H20N4O4/c1-13-2-5-16(20(8-10-22)9-11-23)12-17(13)19-18-14-3-6-15(7-4-14)21(24)25/h2-7,12,22-23H,8-11H2,1H3


name: C.I. Disperse Blue 7
cas: 3179-90-6
chemspiderid: 17486
dtxsid: DTXSID8025208
formula: C18H18N2O6
inchikey: WHPNHQRWWMLKPJ-UHFFFAOYSA-N
norman_susdat_id: NS00013636
pubchem_cid: 18514
smiles: OCCNc1ccc(NCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
inchi:
InChI=1S/C18H18N2O6/c21-7-5-19-9-1-2-10(20-6-8-22)14-13(9)17(25)15-11(23)3-4-12(24)16(15)18(14)26/h1-4,19-24H,5-8H2


name: 9,10-Anthracenedione, 1-(methylamino)-4-(phenylamino)-
cas: 3179-96-2
chemspiderid: 69111
dtxsid: DTXSID5062897
formula: C21H16N2O2
inchikey: TVBNRFCUTVWHQB-UHFFFAOYSA-N
norman_susdat_id: NS00021119
pubchem_cid: 76647
smiles: CNc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2ccccc2)cc1
inchi:
InChI=1S/C21H16N2O2/c1-22-16-11-12-17(23-13-7-3-2-4-8-13)19-18(16)20(24)14-9-5-6-10-15(14)21(19)25/h2-12,22-23H,1H3


name: Tantalum(5+) oxalate
cas: 31791-37-4
formula: C2H2O4.2/5Ta
inchi: InChI=1/5C2H2O4.2Ta/c5*3-1(4)2(5)6;;/h5*(H,3,4)(H,5,6);;/q;;;;;2*+5/p-10
inchikey: OSYUGTCJVMTNTO-UHFFFAOYSA-D
norman_susdat_id: NS00084396
smiles:
[Ta+5].[Ta+5].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]


cas: 31799-71-0
formula: C22H43NO3
norman_susdat_id: NS00101873
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(9Z)-(1-oxo-9-octadecenyl)imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: Imolamine
cas: 318-23-0
chebiid: CHEBI:135072
chemspiderid: 10669810
formula: C14H20N4O1
inchikey: MGSPDRWOUCPKNZ-UHFFFAOYSA-N
norman_susdat_id: NS00007253
pubchem_cid: 27501
smiles: CCN(CC)CCn1c(noc1=N)-c1ccccc1
inchi:
InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3


name: Ethanol, 2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)-
cas: 3180-81-2
chemspiderid: 21159794
dtxsid: DTXSID5038915
formula: C16H17Cl1N4O3
inchikey: FEJPWLNPOFOBSP-VHEBQXMUSA-N
norman_susdat_id: NS00020794
pubchem_cid: NA
smiles: CCN(CCO)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18-


name: C18, 2 EO Carboxymethylated acid
cas: 31800-53-0
chemspiderid: 148759
formula: C22H44O4
inchikey: PYOQKNDWYLTXRD-UHFFFAOYSA-N
norman_susdat_id: NS00095120
pubchem_cid: 170122
smiles: O=C(O)COCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h2-21H2,1H3,(H,23,24)


name: Inosine 2',3',5'-triacetate
cas: 3181-38-2
formula: C16H18N4O8
inchikey: SFEQTFDQPJQUJM-XNIJJKJLSA-N
norman_susdat_id: NS00045691
pubchem_cid: NA
smiles: O=C(OCC1OC(N2C=NC=3C(O)=NC=NC32)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C16H18N4O8/c1-7(21)25-4-10-12(26-8(2)22)13(27-9(3)23)16(28-10)20-6-19-11-14(20)17-5-18-15(11)24/h5-6,10,12-13,16H,4H2,1-3H3,(H,17,18,24)


name: 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-
cas: 3181-86-0
chemspiderid: 69112
dtxsid: DTXSID5062899
formula: C18H14N2O3S2
inchikey: WXSWCUFLXDRACR-UHFFFAOYSA-N
norman_susdat_id: NS00029177
pubchem_cid: 76648
smiles: Cc1nc2c(cc1)cc(cc2)c1nc2c(s1)c(c(C)cc2)S(=O)(=O)O
inchi:
InChI=1S/C18H14N2O3S2/c1-10-3-7-15-16(17(10)25(21,22)23)24-18(20-15)13-6-8-14-12(9-13)5-4-11(2)19-14/h3-9H,1-2H3,(H,21,22,23)


name: C.I. Disperse Blue 56
cas: 31810-89-6
chemspiderid: 31130
dtxsid: DTXSID9052002
formula: C14H9Br1N2O4
inchikey: GTSCBNWCTFCFPW-UHFFFAOYSA-N
norman_susdat_id: NS00019806
pubchem_cid: NA
smiles: Nc1ccc(O)c2c1C(=O)c1c(c(N)c(Br)cc1O)C2=O
inchi:
InChI=1S/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)14(21)9-6(18)2-1-5(16)8(9)13(10)20/h1-3,18-19H,16-17H2


name: 3-(2,4-dichloroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone
cas: 3182-02-3
dtxsid: DTXSID7062900
formula: C15H8Cl5N3O
inchikey: FISWYTMHGMJNNB-UHFFFAOYSA-N
norman_susdat_id: NS00044997
pubchem_cid: 21115442
smiles: O=C1C=C(NC2=CC=C(Cl)C=C2Cl)NN1C=3C(Cl)=CC(Cl)=CC3Cl
inchi:
InChI=1/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-6,21-22H


name: Sodium 8-anilino-5-[[4-(phenylazo)-1-naphthyl]azo]naphthalene-1-sulphonate
cas: 31820-78-7
dtxsid: DTXSID80885519
formula: C32H23N5O3S
inchikey: BSILJAZPRYAVCO-UHFFFAOYSA-M
norman_susdat_id: NS00050310
pubchem_cid: 169368
smiles: [Na+].O=S(=O)([O-])C1=CC=CC2=C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=5C=CC=CC35)C=CC(NC=6C=CC=CC6)=C21
inchi:
InChI=1/C32H23N5O3S.Na/c38-41(39,40)31-17-9-16-26-29(20-21-30(32(26)31)33-22-10-3-1-4-11-22)37-36-28-19-18-27(24-14-7-8-15-25(24)28)35-34-23-12-5-2-6-13-23;/h1-21,33H,(H,38,39,40);/q;+1/p-1


cas: 31825-07-7
formula: C35H26ClN5O14S3
inchikey: GARBTDPEKZIGBZ-UHFFFAOYSA-N
norman_susdat_id: NS00051594
pubchem_cid: 3015597
name:
5-[(4-chlorobenzoyl)amino]-4-hydroxy-3-[[4-[(2-hydroxy-7-sulpho-1-naphthyl)azo]-2,5-dimethoxyphenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C35H26ClN5O14S3/c1-54-28-16-25(29(55-2)15-24(28)38-40-32-23-13-21(56(45,46)47)9-5-17(23)6-10-27(32)42)39-41-33-30(58(51,52)53)12-19-11-22(57(48,49)50)14-26(31(19)34(33)43)37-35(44)18-3-7-20(36)8-4-18/h3-16,42-43H,1-2H3,(H,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)

smiles:
O=C(NC1=CC(=CC=2C=C(C(N=NC3=CC(OC)=C(N=NC4=C(O)C=CC5=CC=C(C=C54)S(=O)(=O)O)C=C3OC)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C6=CC=C(Cl)C=C6


name: Denufosol
cas: 318250-11-2
dtxsid: DTXSID50870235
formula: C18H27N5O21P4
inchikey: FPNPSEMJLALQSA-MIYUEGBISA-N
norman_susdat_id: NS00073020
pubchem_cid: 9875516
inchi:
InChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1

smiles:
Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1


name: Trisodium 1,1',1''-nitrilotris(ethanesulphonate)
cas: 31827-09-5
dtxsid: DTXSID00953744
formula: C6H15NO9S3
inchikey: GSQNJUWDOVTHAJ-UHFFFAOYSA-K
norman_susdat_id: NS00050798
pubchem_cid: 23452792
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])C
inchi:
InChI=1/C6H15NO9S3.3Na/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3


name: SR125047
cas: 318276-19-6
chemspiderid: 7974535
formula: C22H26Cl1N1O1
inchikey: ZDPINFKDQWCRTF-FPLPWBNLSA-N
norman_susdat_id: NS00015607
pubchem_cid: 9798769
smiles: COC1=CC=CC(=C1)C2=C(C=C(C=C2)C=CCN3CCCCCC3)Cl
inchi:
InChI=1S/C22H26ClNO/c1-25-20-10-6-9-19(17-20)21-12-11-18(16-22(21)23)8-7-15-24-13-4-2-3-5-14-24/h6-12,16-17H,2-5,13-15H2,1H3/b8-7-


name: Diisobutylmethoxyaluminium
cas: 3183-64-0
formula: C9H21AlO
inchikey: YXEGQCLTWOCOIQ-UHFFFAOYSA-N
norman_susdat_id: NS00081946
smiles: CC(C)CC(CC(C)C)O[Al+2]
inchi:
InChI=1/C9H19O.Al/c1-7(2)5-9(10)6-8(3)4;/h7-9H,5-6H2,1-4H3;/q-1;+3/rC9H19AlO/c1-7(2)5-9(11-10)6-8(3)4/h7-9H,5-6H2,1-4H3/q+2


name: Sucrose (Z,Z)-9,12-octadecadienoate
cas: 31835-02-6
dtxsid: DTXSID30953752
formula: C30H52O12
inchikey: HESWZSXUQZPJLH-MVIOKFNFSA-N
norman_susdat_id: NS00050806
pubchem_cid: 66883595
smiles: O=C(OC1C(O)C(OC1(OC2OC(CO)C(O)C(O)C2O)CO)CO)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h6-7,9-10,21-22,24-29,31-33,35-38H,2-5,8,11-20H2,1H3


name: Sucrose decanoate
cas: 31835-06-0
dtxsid: DTXSID90953753
formula: C22H40O12
inchikey: OXTQCKINYRBPJS-LUQRLMJOSA-N
norman_susdat_id: NS00051595
pubchem_cid: 21124776
smiles: O=C(OC1C(O)C(OC1(OC2OC(CO)C(O)C(O)C2O)CO)CO)CCCCCCCCC
inchi:
InChI=1/C22H40O12/c1-2-3-4-5-6-7-8-9-15(26)32-20-17(28)14(11-24)33-22(20,12-25)34-21-19(30)18(29)16(27)13(10-23)31-21/h13-14,16-21,23-25,27-30H,2-12H2,1H3


cas: 31837-42-0
chemspiderid: 39673
dtxsid: DTXSID60865612
formula: C18H15N5O5
inchikey: YMFWVWDPPIWORA-UHFFFAOYSA-N
norman_susdat_id: NS00008172
pubchem_cid: 43525
smiles: CC(=O)C(N=Nc1ccccc1C(O)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
name:
2-â€‹[2-â€‹[1-â€‹[[(2,â€‹3-â€‹Dihydro-â€‹2-â€‹oxo-â€‹1H-â€‹benzimidazol-â€‹5-â€‹yl)â€‹amino]â€‹carbonyl]â€‹-â€‹2-â€‹oxopropyl]â€‹diazenyl]â€‹-benzoic acid

inchi:
InChI=1S/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28)


name: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
cas: 3184-36-9
dtxsid: DTXSID50953754
formula: C16H17NO4
inchikey: WSIHAFYVFLJCQH-UHFFFAOYSA-N
norman_susdat_id: NS00046317
pubchem_cid: 18519
smiles: Cl.OC1=CC=C(C=C1O)CC2NCCC3=CC(O)=C(O)C=C32
inchi:
InChI=1/C16H17NO4.ClH/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12;/h1-2,6-8,12,17-21H,3-5H2;1H


name: (2-(Perfluorooctyl)-1-ethyl)bis(2-hydroxyethyl)methylammonium iodide
cas: 31841-41-5
chemspiderid: 148130
dtxsid: DTXSID50880253
formula: C15H17F17N1O2
inchikey: RWLNANRAXMBRET-UHFFFAOYSA-N
norman_susdat_id: NS00011404
pubchem_cid: 169376
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C[N+](C)(CCO)CCO.[I-]
inchi:
InChI=1S/C15H17F17NO2.HI/c1-33(4-6-34,5-7-35)3-2-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32;/h34-35H,2-7H2,1H3;1H/q+1;/p-1


name: Indoprofen
cas: 31842-01-0
chebiid: CHEBI:76162
chemspiderid: 3587
dtxsid: DTXSID5045831
formula: C17H15N1O3
inchikey: RJMIEHBSYVWVIN-UHFFFAOYSA-N
norman_susdat_id: NS00007205
pubchem_cid: 3718
smiles: CC(C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O
inchi:
InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)


name: Morclofone
cas: 31848-01-8
chebiid: CHEBI:135657
chemspiderid: 33063
dtxsid: DTXSID50185710
formula: C21H24Cl1N1O5
inchikey: KVCJCEKJKGLBOK-UHFFFAOYSA-N
norman_susdat_id: NS00029182
pubchem_cid: 35949
smiles: [Cl-].COc1cc(cc(OC)c1OCC[NH+]1CCOCC1)C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H24ClNO5/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23/h3-6,13-14H,7-12H2,1-2H3


name: 4'-chloro-3,5-dimethoxy-4-(2-morpholinoethoxy)benzophenone hydrochloride
cas: 31848-02-9
formula: C21H24ClNO5.ClH
inchikey: VTAVBRPGDUSILL-UHFFFAOYSA-N
norman_susdat_id: NS00084937
smiles: Cl.COc1cc(cc(OC)c1OCCN2CCOCC2)C(=O)c3ccc(Cl)cc3
inchi:
InChI=1/C21H24ClNO5.ClH/c1-25-18-13-16(20(24)15-3-5-17(22)6-4-15)14-19(26-2)21(18)28-12-9-23-7-10-27-11-8-23;/h3-6,13-14H,7-12H2,1-2H3;1H


name: Didodecyl thiodipropionate
cas: 31852-09-2
formula: C30H58O4S
inchikey: XJQUFWCXNMUBGK-UHFFFAOYSA-N
norman_susdat_id: NS00050808
pubchem_cid: 14454726
smiles: O=C(OCCCCCCCCCCCC)C(SC(C(=O)OCCCCCCCCCCCC)C)C
inchi:
InChI=1/C30H58O4S/c1-5-7-9-11-13-15-17-19-21-23-25-33-29(31)27(3)35-28(4)30(32)34-26-24-22-20-18-16-14-12-10-8-6-2/h27-28H,5-26H2,1-4H3


name: Dioctadecyl thiodipropionate
cas: 31852-10-5
formula: C42H82O4S
inchikey: JKBYAWVSVVSRIX-UHFFFAOYSA-N
norman_susdat_id: NS00050822
pubchem_cid: 14454727
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C(SC(C(=O)OCCCCCCCCCCCCCCCCCC)C)C
inchi:
InChI=1/C42H82O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-41(43)39(3)47-40(4)42(44)46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h39-40H,5-38H2,1-4H3


cas: 31856-45-8
formula: C15H16N2O5S3
inchikey: JEPKYSYURZYPCD-UHFFFAOYSA-N
norman_susdat_id: NS00050823
pubchem_cid: NA
smiles: O=C(OCC)C=CC=1SC(=C2SC(=S)N(C2=O)CC(=O)O)N(C1C)C
name:
5-ethyl hydrogen 2-[3-(carboxylatomethyl)-4-oxo-2-thioxothiazolidin-5-ylidene]-3,4-dimethyl-2,3-dihydrothiazol-5-acrylate

inchi:
InChI=1/C15H16N2O5S3/c1-4-22-11(20)6-5-9-8(2)16(3)14(24-9)12-13(21)17(7-10(18)19)15(23)25-12/h5-6H,4,7H2,1-3H3,(H,18,19)


name: 7-(diethylamino)-3-(ethylamino)-2-methylphenoxazin-5-ium chloride
cas: 31857-17-7
formula: C19H24N3O.Cl
inchikey: XRIINGZTMXJEBA-UHFFFAOYSA-M
norman_susdat_id: NS00084411
smiles: [Cl-].CCNc1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CC
inchi:
InChI=1/C19H24N3O.ClH/c1-5-20-16-12-19-17(10-13(16)4)21-15-9-8-14(11-18(15)23-19)22(6-2)7-3;/h8-12,20H,5-7H2,1-4H3;1H/q+1;/p-1


name: 5-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]-2-(oxiranylmethoxy)benzyl alcohol
cas: 3188-83-8
dtxsid: DTXSID00883916
formula: C22H26O5
inchikey: KKMOOTHADALRAT-UHFFFAOYSA-N
norman_susdat_id: NS00045752
pubchem_cid: 62489
smiles: OCC1=CC(=CC=C1OCC2OC2)C(C3=CC=C(OCC4OC4)C=C3)(C)C
inchi:
InChI=1/C22H26O5/c1-22(2,16-3-6-18(7-4-16)24-11-19-12-25-19)17-5-8-21(15(9-17)10-23)27-14-20-13-26-20/h3-9,19-20,23H,10-14H2,1-2H3


name: Moricizine
cas: 31883-05-3
chebiid: CHEBI:6997
chemspiderid: 31872
dtxsid: DTXSID4023335
formula: C22H25N3O4S1
inchikey: FUBVWMNBEHXPSU-UHFFFAOYSA-N
norman_susdat_id: NS00029189
pubchem_cid: 34633
smiles: CCOC(=O)Nc1cc2c(Sc3c(cccc3)N2C(=O)CCN2CCOCC2)cc1
inchi:
InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)


name: 3'-[[1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl]carbamoyl]-2-(m-pentadecylphenoxy)butyranilide
cas: 31888-96-7
dtxsid: DTXSID10953795
formula: C43H57ClN4O4
inchikey: DMPZBVIJBIVBSE-UHFFFAOYSA-N
norman_susdat_id: NS00050382
pubchem_cid: 56842475
smiles: O=C(NC1=NN(C(=O)C1)C2=C(Cl)C=C(C=C2C)C)C=3C=CC=C(C3)NC(=O)C(OC4=CC=CC(=C4)CCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C43H57ClN4O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-21-33-22-19-25-36(28-33)52-38(6-2)43(51)45-35-24-20-23-34(29-35)42(50)46-39-30-40(49)48(47-39)41-32(4)26-31(3)27-37(41)44/h19-20,22-29,38H,5-18,21,30H2,1-4H3,(H,45,51)(H,46,47,50)


name: Disodium 4,4'-bis[[6-anilino-4-(methylamino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
cas: 31900-04-6
formula: C34H32N12O6S2.2Na
inchikey: KQIXHGNMGGYJAC-QDBORUFSSA-L
norman_susdat_id: NS00084118
inchi:
InChI=1/C34H32N12O6S2.2Na/c1-35-29-41-31(37-23-9-5-3-6-10-23)45-33(43-29)39-25-17-15-21(27(19-25)53(47,48)49)13-14-22-16-18-26(20-28(22)54(50,51)52)40-34-44-30(36-2)42-32(46-34)38-24-11-7-4-8-12-24;;/h3-20H,1-2H3,(H,47,48,49)(H,50,51,52)(H3,35,37,39,41,43,45)(H3,36,38,40,42,44,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].CNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NC)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


name: Axitinib
cas: 319460-85-0
chebiid: CHEBI:94568
chemspiderid: 4953153
dtxsid: DTXSID3049049
formula: C22H18N4O1S1
inchikey: RITAVMQDGBJQJZ-UHFFFAOYSA-N
norman_susdat_id: NS00005657
pubchem_cid: 3086685
smiles: CNC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1
inchi:
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)


cas: 31949-65-2
chemspiderid: 10143846
dtxsid: DTXSID40185784
formula: C28H27N3O7S1
inchikey: CUNBYQPKMZMTFZ-UHFFFAOYSA-N
norman_susdat_id: NS00029198
pubchem_cid: 11970463
smiles: COc1c(CN2CCCCCC2=O)cc(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)O)cc1
name:
1-Amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1S/C28H27N3O7S/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37)


cas: 31953-18-1
chebiid: CHEBI:82817
formula: C22H26N2O4S.ClH
inchikey: HDRXZJPWHTXQRI-JUDYQFGCSA-N
norman_susdat_id: NS00084127
smiles: Cl.COc1ccc(cc1)[C@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)C
name:
cis-3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

inchi:
InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H


cas: 31962-94-4
chebiid: CHEBI:135885
formula: C42H66O14
inchikey: IYJMSDVSVHDVGT-PEQKVOOWSA-N
norman_susdat_id: NS00084128
name:
Card-20(22)-enolide, 3-[(O-2,6-dideoxy-3-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-

inchi:
InChI=1/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3

smiles:
CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C


name: Sebacic acid, compound with 1,3,5-triazine-2,4,6-triamine
cas: 31970-90-8
formula: C10H18O4.xC3H6N6
inchikey: YRNURYHCEJJLHP-UHFFFAOYSA-N
norman_susdat_id: NS00084445
smiles: Nc1nc(N)nc(N)n1.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.C3H6N6/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;4-1-7-2(5)9-3(6)8-1/h1-8H2,(H,11,12)(H,13,14);(H6,4,5,6,7,8,9)


name: Fenamiphos sulfoxide
cas: 31972-43-7
chemspiderid: 33141
dtxsid: DTXSID8037548
formula: C13H22N1O4P1S1
inchikey: LUQMWGMGWJEGAT-UHFFFAOYSA-N
norman_susdat_id: NS00004448
pubchem_cid: 36027
smiles: CCOP(=O)(NC(C)C)Oc1ccc(c(C)c1)S(C)=O
inchi:
InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)


name: Fenamiphos sulfone
cas: 31972-44-8
chemspiderid: 33142
dtxsid: DTXSID3037547
formula: C13H22N1O5P1S1
inchikey: LVNYJXIBJFXIRZ-UHFFFAOYSA-N
norman_susdat_id: NS00000702
pubchem_cid: 36028
smiles: CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C
inchi:
InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)


name: N-(1,1-Bis(hydroxymethyl)propyl)stearamide
cas: 31977-94-3
chemspiderid: 2283715
dtxsid: DTXSID50185811
formula: C23H47N1O3
inchikey: CJKRJNJNOZRVKU-UHFFFAOYSA-N
norman_susdat_id: NS00029200
pubchem_cid: 3015603
smiles: CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CO)CO
inchi:
InChI=1S/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-23(4-2,20-25)21-26/h25-26H,3-21H2,1-2H3,(H,24,27)


name: 2-amino-2-(hydroxymethyl)butyl stearate
cas: 31977-95-4
dtxsid: DTXSID60953866
formula: C23H47NO3
inchikey: KHYKTXHJBKSIRI-UHFFFAOYSA-N
norman_susdat_id: NS00051657
pubchem_cid: 16205062
smiles: O=C(OCC(N)(CO)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)27-21-23(24,4-2)20-25/h25H,3-21,24H2,1-2H3


name: Allyldodecyldimethylammonium chloride
cas: 31978-07-1
dtxsid: DTXSID20953867
formula: C17H36N
inchikey: ICYLLRVIJXEBBI-UHFFFAOYSA-M
norman_susdat_id: NS00050401
pubchem_cid: 169386
smiles: [Cl-].C=CC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C17H36N.ClH/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h6H,2,5,7-17H2,1,3-4H3;1H/q+1;/p-1


name: 3-benzoyl-2-methoxyhydratropic acid
cas: 31980-90-2
dtxsid: DTXSID30953873
formula: C17H16O4
inchikey: AULBUIGZOUKLJI-UHFFFAOYSA-N
norman_susdat_id: NS00050402
pubchem_cid: 3015605
smiles: O=C(O)C(C=1C=CC=C(C(=O)C=2C=CC=CC2)C1OC)C
inchi:
InChI=1/C17H16O4/c1-11(17(19)20)13-9-6-10-14(16(13)21-2)15(18)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,19,20)


name: 17-hydroxy-19-norpregn-4-ene-3,20-dione 17-acetate
cas: 31981-44-9
chemspiderid: 118930
formula: C22H30O4
inchikey: MTSLFKWJINJVBO-ZCPXKWAGSA-N
norman_susdat_id: NS00003690
pubchem_cid: 134963
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
inchi:
InChI=1S/C22H30O4/c1-13(23)22(26-14(2)24)11-9-20-19-6-4-15-12-16(25)5-7-17(15)18(19)8-10-21(20,22)3/h12,17-20H,4-11H2,1-3H3/t17-,18+,19+,20-,21-,22-/m0/s1


name: Diheptyl maleate
cas: 31983-42-3
formula: C18H32O4
inchikey: KUUZQLFCCOGXKQ-YPKPFQOOSA-N
norman_susdat_id: NS00051658
pubchem_cid: 6432874
smiles: O=C(OCCCCCCC)C=CC(=O)OCCCCCCC
inchi:
InChI=1/C18H32O4/c1-3-5-7-9-11-15-21-17(19)13-14-18(20)22-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3


cas: 31994-53-3
chemspiderid: 4945220
dtxsid: DTXSID8067652
formula: C22H21N3O4S2
inchikey: BGUFNHOQYFNSKN-UHFFFAOYSA-N
norman_susdat_id: NS00029203
pubchem_cid: 161731
smiles: CCn1/c(=C/C(=C2/C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)/C)/sc2c1cccc2
name:
Benzenesulfonic acid, 4-[4-[2-(3-ethyl-2(3H)-benzothiazolylidene)-1-methylethylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C22H21N3O4S2/c1-4-24-18-7-5-6-8-19(18)30-20(24)13-14(2)21-15(3)23-25(22(21)26)16-9-11-17(12-10-16)31(27,28)29/h5-13H,4H2,1-3H3,(H,27,28,29)/b20-13-,21-14-


name: Ethyl 2-(m-tert-butyl-p-hydroxyphenoxy)tetradecanoate
cas: 31994-60-2
dtxsid: DTXSID20953882
formula: C26H44O4
inchikey: USQBFMHVASTQGU-UHFFFAOYSA-N
norman_susdat_id: NS00050403
pubchem_cid: 3015607
smiles: O=C(OCC)C(OC1=CC=C(O)C(=C1)C(C)(C)C)CCCCCCCCCCCC
inchi:
InChI=1/C26H44O4/c1-6-8-9-10-11-12-13-14-15-16-17-24(25(28)29-7-2)30-21-18-19-23(27)22(20-21)26(3,4)5/h18-20,24,27H,6-17H2,1-5H3


name: 5-Azacytidine
cas: 320-67-2
chebiid: CHEBI:2038
chemspiderid: 9072
dtxsid: DTXSID9020116
formula: C8H12N4O5
inchikey: NMUSYJAQQFHJEW-KVTDHHQDSA-N
norman_susdat_id: NS00008631
pubchem_cid: 9444
smiles: Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
inchi:
InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1


name: 5-fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid
cas: 32004-67-4
chebiid: CHEBI:95256
formula: C20H17FO2S
inchikey: LFWHFZJPXXOYNR-UHFFFAOYSA-N
norman_susdat_id: NS00089407
smiles: CSc1ccc(cc1)C=C3c2ccc(F)cc2C(\CC(O)=O)=C3\C
inchi:
InChI=1/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)


name: 5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid
cas: 32004-68-5
chebiid: CHEBI:93811
formula: C20H17FO3S
inchikey: MLKXDPUZXIRXEP-UHFFFAOYSA-N
norman_susdat_id: NS00089613
smiles: CS(=O)c1ccc(cc1)C=C3c2ccc(F)cc2C(\CC(O)=O)=C3\C
inchi:
InChI=1/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)


name: 2-methylnonadecan-1-oic acid
cas: 32013-83-5
dtxsid: DTXSID10885522
formula: C20H40O2
inchikey: JEDJVGRAYGJZIE-UHFFFAOYSA-N
norman_susdat_id: NS00059057
pubchem_cid: 169389
smiles: O=C(O)C(C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)


name: Lithium 4-(2,3-dihydroxypropoxy)benzenesulphonate
cas: 32014-19-0
dtxsid: DTXSID70885523
formula: C9H12O6S
inchikey: CEFAXJFSLXZVJN-UHFFFAOYSA-M
norman_susdat_id: NS00059086
pubchem_cid: 169391
smiles: [Li+].O=S(=O)([O-])C1=CC=C(OCC(O)CO)C=C1
inchi:
InChI=1/C9H12O6S.Li/c10-5-7(11)6-15-8-1-3-9(4-2-8)16(12,13)14;/h1-4,7,10-11H,5-6H2,(H,12,13,14);/q;+1/p-1


name: Sodium 1,2-dihydro-2-thioxonaphth[1,2-d]oxazole-5-sulphonate
cas: 32022-96-1
dtxsid: DTXSID10185852
formula: C11H7NO4S2
inchikey: VTOPJMTZIHCGLU-UHFFFAOYSA-M
norman_susdat_id: NS00059176
pubchem_cid: 12713208
smiles: [Na+].O=S(=O)([O-])C=1C=C2OC(=S)NC2=C3C=CC=CC31
inchi:
InChI=1/C11H7NO4S2.Na/c13-18(14,15)9-5-8-10(12-11(17)16-8)7-4-2-1-3-6(7)9;/h1-5H,(H,12,17)(H,13,14,15);/q;+1/p-1


name: Lixisenatide
cas: 320367-13-3
chemspiderid: 17295846
formula: C215H347N61O65S1
inchikey: XVVOERDUTLJJHN-UHFFFAOYSA-N
norman_susdat_id: NS00040677
pubchem_cid: 90472060
inchi:
InChI=1S/C215H347N61O65S/c1-16-115(10)173(210(337)256-141(68-74-170(299)300)194(321)261-148(94-122-98-232-126-50-24-23-49-124(122)126)199(326)258-143(89-111(2)3)196(323)247-134(58-32-40-83-223)189(316)262-149(96-160(226)285)180(307)235-100-161(286)233-104-165(290)274-85-42-60-156(274)207(334)267-154(108-280)206(333)265-151(105-277)181(308)237-101-162(287)239-117(12)213(340)276-87-44-62-158(276)214(341)275-86-43-61-157(275)208(335)268-153(107-279)204(331)249-132(56-30-38-81-221)187(314)246-131(55-29-37-80-220)186(313)245-130(54-28-36-79-219)185(312)244-129(53-27-35-78-218)184(311)243-128(52-26-34-77-217)183(310)242-127(176(227)303)51-25-33-76-216)272-201(328)146(92-120-45-19-17-20-46-120)260-197(324)144(90-112(4)5)257-190(317)135(59-41-84-231-215(228)229)255-209(336)172(114(8)9)271-177(304)116(11)240-182(309)138(65-71-167(293)294)251-192(319)139(66-72-168(295)296)252-193(320)140(67-73-169(297)298)253-195(322)142(75-88-342-15)254-191(318)137(63-69-159(225)284)250-188(315)133(57-31-39-82-222)248-203(330)152(106-278)266-198(325)145(91-113(6)7)259-200(327)150(97-171(301)302)263-205(332)155(109-281)269-212(339)175(119(14)283)273-202(329)147(93-121-47-21-18-22-48-121)264-211(338)174(118(13)282)270-164(289)103-236-179(306)136(64-70-166(291)292)241-163(288)102-234-178(305)125(224)95-123-99-230-110-238-123/h17-24,45-50,98-99,110-119,125,127-158,172-175,232,277-283H,16,25-44,51-97,100-109,216-224H2,1-15H3,(H2,225,284)(H2,226,285)(H2,227,303)(H,230,238)(H,233,286)(H,234,305)(H,235,307)(H,236,306)(H,237,308)(H,239,287)(H,240,309)(H,241,288)(H,242,310)(H,243,311)(H,244,312)(H,245,313)(H,246,314)(H,247,323)(H,248,330)(H,249,331)(H,250,315)(H,251,319)(H,252,320)(H,253,322)(H,254,318)(H,255,336)(H,256,337)(H,257,317)(H,258,326)(H,259,327)(H,260,324)(H,261,321)(H,262,316)(H,263,332)(H,264,338)(H,265,333)(H,266,325)(H,267,334)(H,268,335)(H,269,339)(H,270,289)(H,271,304)(H,272,328)(H,273,329)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H4,228,229,231)

smiles:
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)CNC(=O)C(CCC(O)=O)NC(=O)CNC(=O)C(N)Cc1c[nH]cn1)C(C)O)C(C)O)C(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CO)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O


name: Disodium 4-[(4-chloro-5-ethyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 32041-58-0
formula: C19H15ClN2O6S.2Na
inchikey: RNLHZRYWZXYPAP-UHFFFAOYSA-L
norman_susdat_id: NS00089450
smiles: [Na+].[Na+].CCc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O
inchi:
InChI=1/C19H15ClN2O6S.2Na/c1-2-10-8-15(16(9-14(10)20)29(26,27)28)21-22-17-12-6-4-3-5-11(12)7-13(18(17)23)19(24)25;;/h3-9,23H,2H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2


name: 5-[1-methyl-2-(thiazolidin-2-yliden)ethyliden]-4-oxo-2-thioxothiazolidin-3-acetic acid
cas: 32046-64-3
dtxsid: DTXSID30953914
formula: C11H12N2O3S3
inchikey: XVUGKIXCNARGQF-UHFFFAOYSA-N
norman_susdat_id: NS00058682
pubchem_cid: NA
smiles: O=C(O)CN1C(=O)C(SC1=S)=C(C=C2SCCN2)C
inchi:
InChI=1/C11H12N2O3S3/c1-6(4-7-12-2-3-18-7)9-10(16)13(5-8(14)15)11(17)19-9/h4,12H,2-3,5H2,1H3,(H,14,15)


name: Sodium 2-[(4-hydroxyphenyl)azo]benzoate
cas: 32050-78-5
formula: C13H10N2O3.Na
inchikey: YCXJEAJKOCMIQM-UHFFFAOYSA-M
norman_susdat_id: NS00089451
smiles: [Na+].Oc2ccc(N=Nc1ccccc1C([O-])=O)cc2
inchi:
InChI=1/C13H10N2O3.Na/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18;/h1-8,16H,(H,17,18);/q;+1/p-1


name: N-{4-[(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)amino]benzene-1-sulfonyl}acetamide
cas: 320599-24-4
dtxsid: DTXSID40896267
formula: C12H9F9N2O5S2
inchikey: IIGNRGIDQZSRJU-UHFFFAOYSA-N
norman_susdat_id: NS00110436
smiles: CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C12H9F9N2O5S2/c1-6(24)22-29(25,26)8-4-2-7(3-5-8)23-30(27,28)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-5,23H,1H3,(H,22,24)


name: 4-benzoyl-3-hydroxy-1,2-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 32060-64-3
formula: C33H20N4O10S2
inchikey: HYDGIZNWCBVJIJ-UHFFFAOYSA-N
norman_susdat_id: NS00060106
pubchem_cid: NA
inchi:
InChI=1/C33H18N4O10S2/c34-36-24-15-12-19-21(30(24)39)8-4-10-27(19)48(42,43)46-26-17-14-23(29(38)18-6-2-1-3-7-18)32(41)33(26)47-49(44,45)28-11-5-9-22-20(28)13-16-25(37-35)31(22)40/h1-17,41H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(C(=O)C=4C=CC=CC4)C(O)=C3OS(=O)(=O)C=5C=CC=C6C(=O)C(=[N+]=[N-])C=CC65)C1=O


name: n-Hexadecenylsuccinic anhydride
cas: 32072-96-1
chemspiderid: 140821
dtxsid: DTXSID6027971
formula: C20H34O3
inchikey: RSPWVGZWUBNLQU-FOCLMDBBSA-N
norman_susdat_id: NS00019807
pubchem_cid: 5354625
smiles: CCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
inchi:
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19(21)23-20(18)22/h15-16,18H,2-14,17H2,1H3/b16-15+/t18-/m1/s1


name: Dithiobis(4-(1,1-dimethylpropyl)phenol)
cas: 32074-74-1
chemspiderid: 15030413
dtxsid: DTXSID30185879
formula: C22H30O2S2
inchikey: RZAPFEWZXAKCHZ-UHFFFAOYSA-N
norman_susdat_id: NS00029212
pubchem_cid: 12382605
smiles: CCC(C)(C)c1cc(SSc2c(O)ccc(c2)C(C)(C)CC)c(O)cc1
inchi:
InChI=1S/C22H30O2S2/c1-7-21(3,4)15-9-11-17(23)19(13-15)25-26-20-14-16(10-12-18(20)24)22(5,6)8-2/h9-14,23-24H,7-8H2,1-6H3


name: [(ß-D-glucopyranuronosyl)carboxylatomethyl]trimethylammonium
cas: 32087-68-6
formula: C11H20NO8
inchikey: JAAURIOCOPGDLK-ICPASMAVSA-N
norman_susdat_id: NS00059208
pubchem_cid: NA
smiles: O=C([O-])C(C1OC(C(=O)O)C(O)C(O)C1O)[N+](C)(C)C
inchi:
InChI=1/C11H19NO8/c1-12(2,3)4(10(16)17)8-6(14)5(13)7(15)9(20-8)11(18)19/h4-9,13-15H,1-3H3,(H-,16,17,18,19)


name: Ethyl[4-formyl-3-methylphenyl][2-hydroxy-3-phenoxypropyl]ammonium carbanilate
cas: 32089-69-3
dtxsid: DTXSID90885525
formula: C19H23NO3
inchikey: DIDVSFQDBHPNOV-UHFFFAOYSA-N
norman_susdat_id: NS00058685
pubchem_cid: NA
smiles: O=CC1=CC=C(C=C1C)[NH+](CC)CC(O)COC=2C=CC=CC2.O=C([O-])NC=1C=CC=CC1
inchi:
InChI=1/C19H23NO3.C7H7NO2/c1-3-20(17-10-9-16(13-21)15(2)11-17)12-18(22)14-23-19-7-5-4-6-8-19;9-7(10)8-6-4-2-1-3-5-6/h4-11,13,18,22H,3,12,14H2,1-2H3;1-5,8H,(H,9,10)


name: 2-[4-(2,2-dicyanovinyl)-N-ethyl-3-methylanilino]-1-(phenoxymethyl)ethyl carbanilate
cas: 32089-70-6
dtxsid: DTXSID50885526
formula: C29H28N4O3
inchikey: ZBZJWLWVYZLFJA-UHFFFAOYSA-N
norman_susdat_id: NS00059177
pubchem_cid: 169404
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CC(OC(=O)NC=2C=CC=CC2)COC=3C=CC=CC3
inchi:
InChI=1/C29H28N4O3/c1-3-33(26-15-14-24(22(2)16-26)17-23(18-30)19-31)20-28(21-35-27-12-8-5-9-13-27)36-29(34)32-25-10-6-4-7-11-25/h4-17,28H,3,20-21H2,1-2H3,(H,32,34)


name: Nocardamin
cas: 32089-78-4
chebiid: CHEBI:50437
chemspiderid: 141883
dtxsid: DTXSID00181161
formula: C27H48N6O9
inchikey: NHKCCADZVLTPPO-UHFFFAOYSA-N
norman_susdat_id: NS00011742
pubchem_cid: 161532
smiles: C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O
inchi:
InChI=1S/C27H48N6O9/c34-22-10-14-26(38)32(41)20-8-3-6-18-30-24(36)12-15-27(39)33(42)21-9-2-5-17-29-23(35)11-13-25(37)31(40)19-7-1-4-16-28-22/h40-42H,1-21H2,(H,28,34)(H,29,35)(H,30,36)


cas: 3209-30-1
formula: C28H22N2O10S2.2Na
inchikey: LSOBEVFVUSIMGA-UHFFFAOYSA-L
norman_susdat_id: NS00081679
smiles: Cc1ccc(Nc2ccc(O)c3C(=O)c4c(Nc5ccc(C)cc5S(=O)(=O)O[Na])ccc(O)c4C(=O)c23)c(c1)S(=O)(=O)O[Na]
name:
Disodium 4,4'-[(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthrylene)diimino]bis[toluene-3-sulphonate]

inchi:
InChI=1/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-9-19(31)25-23(17)27(33)26-20(32)10-8-18(24(26)28(25)34)30-16-6-4-14(2)12-22(16)42(38,39)40;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/rC28H20N2Na2O10S2/c1-13-3-5-15(21(11-13)43(37,38)41-31)29-17-7-9-19(33)25-23(17)27(35)26-20(34)10-8-18(24(26)28(25)36)30-16-6-4-14(2)12-22(16)44(39,40)42-32/h3-12,29-30,33-34H,1-2H3


name: Dilithium N-acetyl-L-glutamate
cas: 32093-27-9
formula: C7H11NO5.2Li
inchikey: DHNAHXJWGNCUGP-XRIGFGBMSA-L
norman_susdat_id: NS00090147
smiles: [Li+].[Li+].CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C7H11NO5.2Li/c1-4(9)8-5(7(12)13)2-3-6(10)11;;/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2


name: (S)-2,3,5,6-tetrahydro-6-phenylimidazo[2,1-b]thiazoletriylium phosphate
cas: 32093-35-9
dtxsid: DTXSID90185890
formula: C11H14N2S
inchikey: ALZJNPBSFWBUEB-GQNCZFCYSA-N
norman_susdat_id: NS00059178
pubchem_cid: NA
smiles: O=P([O-])([O-])[O-].C=1C=CC(=CC1)C2C[NH+]3CC[SH+]C3[NH2+]2
inchi:
InChI=1/C11H14N2S.H3O4P/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10;1-5(2,3)4/h1-5,10-12H,6-8H2;(H3,1,2,3,4)


name: Nicotinic acid mononucleotide
cas: 321-02-8
chebiid: CHEBI:15763
chemspiderid: 108822
formula: C11H15N1O9P1
inchikey: JOUIQRNQJGXQDC-ZYUZMQFOSA-O
norman_susdat_id: NS00015047
pubchem_cid: 121992
smiles: O=P(O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
inchi:
InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1


name: Coumaphos oxon
cas: 321-54-0
chemspiderid: 9081
dtxsid: DTXSID1037513
formula: C14H16Cl1O6P1
inchikey: FDYMERLIFOUIRZ-UHFFFAOYSA-N
norman_susdat_id: NS00021120
pubchem_cid: 9453
smiles: CCOP(=O)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
inchi:
InChI=1S/C14H16ClO6P/c1-4-18-22(17,19-5-2)21-10-6-7-11-9(3)13(15)14(16)20-12(11)8-10/h6-8H,4-5H2,1-3H3


name: Haloxon
cas: 321-55-1
chemspiderid: 9082
dtxsid: DTXSID5046221
formula: C14H14Cl3O6P1
inchikey: KULDXINYXFTXMO-UHFFFAOYSA-N
norman_susdat_id: NS00029219
pubchem_cid: 9454
smiles: Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12
inchi:
InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3


name: Lead dimyristate
cas: 32112-52-0
formula: C14H28O2.1/2Pb
inchikey: ZZSLTNOFMWYBTR-UHFFFAOYSA-L
norman_susdat_id: NS00089694
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2*2-13H2,1H3,(H,15,16);;;/q;;+4;;/p-2/r2C14H28O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*2-13H2,1H3,(H,15,16);1H2/q;;+4/p-2


name: Heptacosan-14-ol
cas: 32116-10-2
dtxsid: DTXSID60185903
formula: C27H56O
inchikey: XHGCEYVOGZHRLW-UHFFFAOYSA-N
norman_susdat_id: NS00059209
pubchem_cid: 3084559
smiles: OC(CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C27H56O/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/h27-28H,3-26H2,1-2H3


name: Sodium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
cas: 32134-06-8
formula: C14H17NO4.Na
inchikey: BKGQOIIXRWMLPJ-BTQNPOSSSA-M
norman_susdat_id: NS00090148
smiles: [Na+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1
inchi:
InChI=1/C14H17NO4.Na/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-9,13,15H,3H2,1-2H3,(H,17,18);/q;+1/p-1


name: Tris(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium
cas: 32138-95-7
formula: C15H12AlN3O3S3
inchikey: TVOHFLHWXJEMMD-UHFFFAOYSA-N
norman_susdat_id: NS00090149
smiles: S=C1C=CC=CN1O[Al](ON2C=CC=CC2=S)ON3C=CC=CC3=S
inchi:
InChI=1/3C5H4NOS.Al/c3*7-6-4-2-1-3-5(6)8;/h3*1-4H;/q3*-1;+3/rC15H12AlN3O3S3/c23-13-7-1-4-10-17(13)20-16(21-18-11-5-2-8-14(18)24)22-19-12-6-3-9-15(19)25/h1-12H


name: C.I. Direct Yellow 50, tetrasodium salt
cas: 3214-47-9
chemspiderid: 21159800
dtxsid: DTXSID0041729
formula: C35H28N6O13S4
inchikey: XRFRTDKENRGSSX-RRJGSHPESA-J
norman_susdat_id: NS00019973
pubchem_cid: NA
inchi:
InChI=1S/C35H28N6O13S4/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-22)41-39-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b40-38+,41-39+

smiles:
[Na+].[Na+].[Na+].[Na+].Cc1c(ccc(NC(=O)Nc2cc(C)c(cc2)N=Nc2cc(c3cccc(c3c2)S(=O)(=O)[O-])S(=O)(=O)[O-])c1)N=Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Hexoprenaline
cas: 3215-70-1
chemspiderid: 3483
dtxsid: DTXSID7048322
formula: C22H32N2O6
inchikey: OXLZNBCNGJWPRV-UHFFFAOYSA-N
norman_susdat_id: NS00003917
pubchem_cid: 3609
smiles: OC(CNCCCCCCNCC(O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1
inchi:
InChI=1S/C22H32N2O6/c25-17-7-5-15(11-19(17)27)21(29)13-23-9-3-1-2-4-10-24-14-22(30)16-6-8-18(26)20(28)12-16/h5-8,11-12,21-30H,1-4,9-10,13-14H2


name: 1-ethyl-4-[3-(3-ethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 32151-96-5
dtxsid: DTXSID00954019
formula: C23H23N2O
inchikey: ZIENXIAZWJNLEK-UHFFFAOYSA-M
norman_susdat_id: NS00060108
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC3=CC=[N+](C=4C=CC=CC34)CC)CC
inchi:
InChI=1/C23H23N2O.HI/c1-3-24-17-16-18(19-11-5-6-12-20(19)24)10-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: (isopropylidene)bis(4,1-phenyleneoxyethylene) dilaurate
cas: 32154-05-5
dtxsid: DTXSID3067659
formula: C43H68O6
inchikey: DPZRLVKUOYEOLE-UHFFFAOYSA-N
norman_susdat_id: NS00060109
pubchem_cid: 122561
smiles: O=C(OCCOC1=CC=C(C=C1)C(C2=CC=C(OCCOC(=O)CCCCCCCCCCC)C=C2)(C)C)CCCCCCCCCCC
inchi:
InChI=1/C43H68O6/c1-5-7-9-11-13-15-17-19-21-23-41(44)48-35-33-46-39-29-25-37(26-30-39)43(3,4)38-27-31-40(32-28-38)47-34-36-49-42(45)24-22-20-18-16-14-12-10-8-6-2/h25-32H,5-24,33-36H2,1-4H3


name: N,n-dimethyl-4-(4-phenyl-1h-pyrazol-3-yl)-1h-pyrrole-2-carboxamide
cas: 321553-20-2
formula: C16H16N4O
inchikey: OPBUUQBZKJSWTN-UHFFFAOYSA-N
norman_susdat_id: NS00071635
smiles: CN(C)C(=O)c1cc(-c2n[nH]cc2-c2ccccc2)c[nH]1
inchi:
InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)


cas: 321657-92-5
dtxsid: DTXSID70897560
norman_susdat_id: NS00111533
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, telomer with 2,2-dichloro-1,1,1-trifluoroethane and 1,1-difluoroethene (9CI)


name: CYTOSPORONE B
cas: 321661-62-5
chebiid: CHEBI:95039
chemspiderid: 8862638
dtxsid: DTXSID80443557
formula: C18H26O5
inchikey: UVVWQQKSNZLUQA-UHFFFAOYSA-N
norman_susdat_id: NS00018042
pubchem_cid: 10687292
smiles: CCCCCCCC(=O)C1=C(C=C(C=C1CC(=O)OCC)O)O
inchi:
InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3


cas: 321679-52-1
chemspiderid: NA
formula: C31H28F1N9O12S4
inchikey: WBKXKDGAPWKMSV-UHFFFAOYSA-N
norman_susdat_id: NS00001411
pubchem_cid: NA
name:
2-{4-[4-[4-fluoro-6-(2-(2-vinylsulfonylethoxy)ethylamino)-1,3,5-triazin-2-ylamino]phenylazo]phenylazo}naphthalene-4,6,8-trisulfonic acid

inchi:
InChI=1S/C31H28FN9O12S4/c1-2-54(42,43)14-13-53-12-11-33-30-35-29(32)36-31(37-30)34-19-3-5-20(6-4-19)38-39-21-7-9-22(10-8-21)40-41-23-15-25-26(27(16-23)56(47,48)49)17-24(55(44,45)46)18-28(25)57(50,51)52/h2-10,15-18H,1,11-14H2,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H2,33,34,35,36,37)

smiles:
OS(=O)(=O)c1cc(c2cc(cc(c2c1)S(O)(=O)=O)N=Nc1ccc(cc1)N=Nc1ccc(Nc2nc(F)nc(NCCOCCS(=O)(=O)C=C)n2)cc1)S(O)(=O)=O


name: 2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium hydrogen sulphate
cas: 32178-39-5
formula: C14H20N3O3.HO4S
inchikey: OONVERUZTDGMRD-UHFFFAOYSA-L
norman_susdat_id: NS00089674
smiles: CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C14H20N3O3.H2O4S/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-5(2,3)4/h9-10H,3-8H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2


name: N-(4-Chloro-2,5-dimethoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 32179-67-2
chemspiderid: 109277
dtxsid: DTXSID50185957
formula: C19H17Cl1N1O7P1
inchikey: ZVMLHPOCCZTQGX-UHFFFAOYSA-N
norman_susdat_id: NS00029227
pubchem_cid: 122565
smiles: COc1cc(NC(=O)c2c(OP(=O)(O)O)cc3ccccc3c2)c(OC)cc1Cl
inchi:
InChI=1S/C19H17ClNO7P/c1-26-17-10-15(18(27-2)9-14(17)20)21-19(22)13-7-11-5-3-4-6-12(11)8-16(13)28-29(23,24)25/h3-10H,1-2H3,(H,21,22)(H2,23,24,25)


name: 2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
cas: 32180-75-9
chemspiderid: 109278
dtxsid: DTXSID7067661
formula: C31H41N1O3
inchikey: DHEJKONKJWLHGP-UHFFFAOYSA-N
norman_susdat_id: NS00029229
pubchem_cid: 122566
smiles: CCC(C)(C)c1cc(c(OCCCCNC(=O)c2ccc3ccccc3c2O)cc1)C(C)(C)CC
inchi:
InChI=1S/C31H41NO3/c1-7-30(3,4)23-16-18-27(26(21-23)31(5,6)8-2)35-20-12-11-19-32-29(34)25-17-15-22-13-9-10-14-24(22)28(25)33/h9-10,13-18,21,33H,7-8,11-12,19-20H2,1-6H3,(H,32,34)


cas: 32180-77-1
dtxsid: DTXSID2067662
formula: C39H47N3O4
inchikey: KONWYIUWNVFTHQ-UHFFFAOYSA-N
norman_susdat_id: NS00058687
pubchem_cid: 122567
smiles: O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(N=NC=3C=CC=CC3C(=O)C)C=4C=CC=CC4C2O
name:
2-Naphthalenecarboxamide, 4-[(2-acetylphenyl)azo]-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-

inchi:
InChI=1/C39H47N3O4/c1-8-38(4,5)27-20-21-35(32(24-27)39(6,7)9-2)46-23-15-14-22-40-37(45)31-25-34(29-17-10-11-18-30(29)36(31)44)42-41-33-19-13-12-16-28(33)26(3)43/h10-13,16-21,24-25,44H,8-9,14-15,22-23H2,1-7H3,(H,40,45)


name: N-Acetyl-D-lactosamine
cas: 32181-59-2
chebiid: CHEBI:60152
chemspiderid: 106753
formula: C14H25N1O11
inchikey: KFEUJDWYNGMDBV-RPHKZZMBSA-N
norman_susdat_id: NS00014884
pubchem_cid: 9800166
smiles: O=C(NC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO)C
inchi:
InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1


name: Benserazide
cas: 322-35-0
chebiid: CHEBI:64187
chemspiderid: 2237
dtxsid: DTXSID9022651
formula: C10H15N3O5
inchikey: BNQDCRGUHNALGH-UHFFFAOYSA-N
norman_susdat_id: NS00009834
pubchem_cid: 2327
smiles: NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
inchi:
InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18)


name: Methyltris[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate
cas: 32208-02-9
dtxsid: DTXSID90185976
formula: C61H120NO6
inchikey: MXPIICVCANXTMS-UHFFFAOYSA-M
norman_susdat_id: NS00059259
pubchem_cid: 3015621
inchi:
InChI=1/C61H120NO6.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)66-56-53-62(4,54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-58-68-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h5-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

smiles:
O=C(OCC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC


name: (2-hydroxyethyl)methylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl sulphate
cas: 32208-04-1
dtxsid: DTXSID10885527
formula: C43H86NO5
inchikey: FPKBRMRMNGYJLA-UHFFFAOYSA-M
norman_susdat_id: NS00060176
pubchem_cid: 21124016
smiles: O=C(OCC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C43H86NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h45H,4-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Methyl 3ß-hydroxyurs-12-en-28-oate
cas: 32208-45-0
formula: C31H50O3
inchikey: YCBSMEKEDOHEQI-QHQGJMPNSA-N
norman_susdat_id: NS00058736
pubchem_cid: 636516
smiles: O=C(OC)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
inchi:
InChI=1/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3


cas: 3221-64-5
dtxsid: DTXSID6062913
formula: C33H32N4O4
inchikey: AUGGJOPHYLIYTD-UHFFFAOYSA-N
norman_susdat_id: NS00046884
pubchem_cid: 102385
smiles: OC=1C=CC=CC1C=NCC(CN=CC=2C=CC=CC2O)(CN=CC=3C=CC=CC3O)CN=CC=4C=CC=CC4O
name:
2,2'-[[2,2-bis[[[(2-hydroxyphenyl)methylene]amino]methyl]propane-1,3-diyl]bis(nitrilomethylidyne)]bisphenol

inchi:
InChI=1/C33H32N4O4/c38-29-13-5-1-9-25(29)17-34-21-33(22-35-18-26-10-2-6-14-30(26)39,23-36-19-27-11-3-7-15-31(27)40)24-37-20-28-12-4-8-16-32(28)41/h1-20,38-41H,21-24H2


name: 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-7-yl acetate
cas: 32213-88-0
dtxsid: DTXSID70885528
formula: C17H26O2
inchikey: DMRSABXLZDPVFE-UHFFFAOYSA-N
norman_susdat_id: NS00059223
pubchem_cid: 122542
smiles: O=C(OC1C=C2C(C)(C)C3CCC2(C3)C(C)(C)C1)C
inchi:
InChI=1/C17H26O2/c1-11(18)19-13-8-14-16(4,5)12-6-7-17(14,9-12)15(2,3)10-13/h8,12-13H,6-7,9-10H2,1-5H3


name: Caryophyllene Alcohol Acetate;
cas: 32214-91-8
chemspiderid: 4716468
formula: C17H26O2
inchikey: OCLOVRSVPZPWHE-SDQBBNPISA-N
norman_susdat_id: NS00012080
pubchem_cid: 5832948
smiles: CC(=O)OC1CCC(=C)C2CC(C)(C)C2C/C=C1/C
inchi:
InChI=1S/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3/b12-6-


name: 9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[3-acetyl-4-amino-
cas: 32220-82-9
chemspiderid: 4590067
dtxsid: DTXSID2067664
formula: C41H27N7O6
inchikey: QHUKBYLVVVMGRT-UHFFFAOYSA-N
norman_susdat_id: NS00021121
pubchem_cid: 5489074
inchi:
InChI=1S/C41H27N7O6/c1-18(49)25-16-27(29-31(33(25)42)37(53)23-14-8-6-12-21(23)35(29)51)44-40-46-39(20-10-4-3-5-11-20)47-41(48-40)45-28-17-26(19(2)50)34(43)32-30(28)36(52)22-13-7-9-15-24(22)38(32)54/h3-17H,42-43H2,1-2H3,(H2,44,45,46,47,48)

smiles:
CC(=O)c1cc(Nc2nc(nc(Nc3c4C(=O)c5c(cccc5)C(=O)c4c(N)c(c3)C(=O)C)n2)c2ccccc2)c2C(=O)c3c(cccc3)C(=O)c2c1N


name: Calcitriol
cas: 32222-06-3
chebiid: CHEBI:17823
chemspiderid: 4444108
dtxsid: DTXSID5022722
formula: C27H44O3
inchikey: GMRQFYUYWCNGIN-NKMMMXOESA-N
norman_susdat_id: NS00004734
pubchem_cid: 5280453
smiles: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C1C[C@@H](O)C[C@H](O)C1=C
inchi:
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1


name: N-(5,8-Dichloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
cas: 3223-95-8
chemspiderid: 69157
dtxsid: DTXSID10185993
formula: C21H11Cl2N1O3
inchikey: KOSPEFRTMNCAFZ-UHFFFAOYSA-N
norman_susdat_id: NS00029239
pubchem_cid: 76697
smiles: Clc1c2C(=O)c3c(c(NC(=O)c4ccccc4)ccc3)C(=O)c2c(Cl)cc1
inchi:
InChI=1S/C21H11Cl2NO3/c22-13-9-10-14(23)18-17(13)19(25)12-7-4-8-15(16(12)20(18)26)24-21(27)11-5-2-1-3-6-11/h1-10H,(H,24,27)


name: 1-amino-4-hydroxy-2-(3-hydroxybutoxy)anthraquinone
cas: 3224-15-5
dtxsid: DTXSID90863126
formula: C18H17NO5
inchikey: QDUNJVJBFUFOKM-UHFFFAOYSA-N
norman_susdat_id: NS00046385
pubchem_cid: 102955
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OCCC(O)C)=CC(O)=C13
inchi:
InChI=1/C18H17NO5/c1-9(20)6-7-24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3


name: 2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
cas: 3224-36-0
chemspiderid: 69158
dtxsid: DTXSID90185996
formula: C19H9Cl2N3
inchikey: ZDMAOBNCIJTNCB-UHFFFAOYSA-N
norman_susdat_id: NS00029240
pubchem_cid: 76698
smiles: Clc1nc(nc(Cl)n1)c1ccc2ccc3cccc4c3c2c1cc4
inchi:
InChI=1S/C19H9Cl2N3/c20-18-22-17(23-19(21)24-18)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H


cas: 32257-57-1
inchikey: NBCVWVINFDCQPR-UHFFFAOYSA-J
norman_susdat_id: NS00078286
name:
tetrasodium 4,4'-{ethene-1,2-diylbis[(3-sulfonato-4,1-phenylene)imino{6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl}imino]}dibenzoate

smiles:
C(=CC1=C(C=C(C=C1)NC1=NC(=NC(=N1)N(CCO)CCO)NC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)[O-])C1=C(C=C(C=C1)NC1=NC(=NC(=N1)N(CCO)CCO)NC1=CC=C(C(=O)[O-])C=C1)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]


name: S-(hydroxymethyl)glutathione | S-hydroxymethyl-glutathione
cas: 32260-87-0
chebiid: CHEBI:48926
formula: C11H19N3O7S
inchikey: PIUSLWSYOYFRFR-BQBZGAKWSA-N
norman_susdat_id: NS00069422
pubchem_cid: 447123
smiles: N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)C(=O)O
inchi:
InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1


name: Tris{4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl}phosphane
cas: 322647-82-5
dtxsid: DTXSID60896148
formula: C39H18F39P
inchikey: ZHQHSVFPOKMCMF-UHFFFAOYSA-N
norman_susdat_id: NS00111100
inchi:
InChI=1S/C39H18F39P/c40-25(41,28(46,47)37(70,71)72)22(31(52,53)54,32(55,56)57)13-16-1-7-19(8-2-16)79(20-9-3-17(4-10-20)14-23(33(58,59)60,34(61,62)63)26(42,43)29(48,49)38(73,74)75)21-11-5-18(6-12-21)15-24(35(64,65)66,36(67,68)69)27(44,45)30(50,51)39(76,77)78/h1-12H,13-15H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(Cc1ccc(cc1)P(c1ccc(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccc(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F


name: Bis{4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl}(phenyl)phosphane
cas: 322647-83-6
chemspiderid: 8828748
dtxsid: DTXSID10442957
formula: C32H17F26P1
inchikey: JKFFEJFWOMHYDX-UHFFFAOYSA-N
norman_susdat_id: NS00018937
pubchem_cid: 10653392
inchi:
InChI=1S/C32H17F26P/c33-23(34,25(37,38)31(53,54)55)21(27(41,42)43,28(44,45)46)14-16-6-10-19(11-7-16)59(18-4-2-1-3-5-18)20-12-8-17(9-13-20)15-22(29(47,48)49,30(50,51)52)24(35,36)26(39,40)32(56,57)58/h1-13H,14-15H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(CC1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)(C(F)(F)F)C(F)(F)F


name: 4-hydroxy-5-[[(2-hydroxyphenyl)methylene]amino]naphthalene-2,7-disulphonic acid
cas: 32266-60-7
formula: C17H13NO8S2
inchikey: DUCCKQSNXPFEGT-UHFFFAOYSA-N
norman_susdat_id: NS00089488
smiles: Oc3ccccc3C=Nc2cc(cc1cc(cc(O)c12)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/C17H13NO8S2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14/h1-9,19-20H,(H,21,22,23)(H,24,25,26)


name: S,S-bis(1-phenyl-1H-tetrazol-5-yl) dithiocarbonate
cas: 32276-00-9
dtxsid: DTXSID30186023
formula: C15H10N8OS2
inchikey: JZUSHUIRRMERGV-UHFFFAOYSA-N
norman_susdat_id: NS00060192
pubchem_cid: 122577
smiles: O=C(SC1=NN=NN1C=2C=CC=CC2)SC3=NN=NN3C=4C=CC=CC4
inchi:
InChI=1/C15H10N8OS2/c24-15(25-13-16-18-20-22(13)11-7-3-1-4-8-11)26-14-17-19-21-23(14)12-9-5-2-6-10-12/h1-10H


name: 2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
cas: 32283-92-4
dtxsid: DTXSID70954081
formula: C36H20N4O4
inchikey: LBQIBUZDDHLNLQ-UHFFFAOYSA-N
norman_susdat_id: NS00058759
pubchem_cid: 122579
smiles: O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1C=8C=CC=C(N)C8)=C2C37)C4=C56)C=9C=CC=C(N)C9
inchi:
InChI=1/C36H20N4O4/c37-17-3-1-5-19(15-17)39-33(41)25-11-7-21-23-9-13-27-32-28(36(44)40(35(27)43)20-6-2-4-18(38)16-20)14-10-24(30(23)32)22-8-12-26(34(39)42)31(25)29(21)22/h1-16H,37-38H2


name: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-methylphenyl)-
cas: 32283-97-9
chemspiderid: 109289
dtxsid: DTXSID2067668
formula: C38H22N2O4
inchikey: FLJPTGKMAMMVDC-UHFFFAOYSA-N
norman_susdat_id: NS00029245
pubchem_cid: 122580
smiles: Cc1ccc(cc1)n1c(=O)c2ccc3c4c5c(ccc6c(=O)n(c7ccc(C)cc7)c(=O)c(cc4)c56)c4c3c2c(cc4)c1=O
inchi:
InChI=1S/C38H22N2O4/c1-19-3-7-21(8-4-19)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)22-9-5-20(2)6-10-22)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3


name: Tosifen
cas: 32295-18-4
chemspiderid: 167613
dtxsid: DTXSID3046118
formula: C17H20N2O3S1
inchikey: XILWEASNBDKGSA-AWEZNQCLSA-N
norman_susdat_id: NS00029250
pubchem_cid: 36102
smiles: CC(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C17H20N2O3S/c1-13-8-10-16(11-9-13)23(21,22)19-17(20)18-14(2)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H2,18,19,20)/t14-/m1/s1


name: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,7-triene-1,6-diol
cas: 3230-76-0
formula: C20H32O2
inchikey: FRMVBNPEOHCJAG-UHFFFAOYSA-N
norman_susdat_id: NS00046386
pubchem_cid: 76706
smiles: OCC=C(C=CC(O)C(=CCC1=C(C)CCCC1(C)C)C)C
inchi:
InChI=1/C20H32O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h8-9,11-12,19,21-22H,6-7,10,13-14H2,1-5H3


name: L-ornithine L-aspartate
cas: 3230-94-2
formula: C5H12N2O2.C4H7NO4
inchikey: IXUZXIMQZIMPSQ-ZBRNBAAYSA-N
norman_susdat_id: NS00081982
smiles: NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)


name: Glycyl-prolyl-glutamic acid
cas: 32302-76-4
chebiid: CHEBI:163960
dtxsid: DTXSID80186038
formula: C12H19N3O6
inchikey: JJGBXTYGTKWGAT-YUMQZZPRSA-N
norman_susdat_id: NS00069173
pubchem_cid: 3080768
smiles: NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1


name: Diallyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
cas: 3232-62-0
dtxsid: DTXSID60954116
formula: C15H12Cl6O4
inchikey: CJKWEXMFQPNNTL-UHFFFAOYSA-N
norman_susdat_id: NS00046348
pubchem_cid: 95590
smiles: O=C(OCC=C)C1C(C(=O)OCC=C)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
inchi:
InChI=1/C15H12Cl6O4/c1-3-5-24-11(22)7-8(12(23)25-6-4-2)14(19)10(17)9(16)13(7,18)15(14,20)21/h3-4,7-8H,1-2,5-6H2


name: Estradiol 3,17-disulfate
cas: 3233-70-3
chemspiderid: 59803
dtxsid: DTXSID50186065
formula: C18H24O8S2
inchikey: VPLAJGAMHNQZIY-ZBRFXRBCSA-N
norman_susdat_id: NS00015206
pubchem_cid: 66430
smiles: CC12CCC3C(C1CCC2OS(=O)(=O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
inchi:
InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1


name: 2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)-
cas: 32332-65-3
dtxsid: DTXSID1067671
formula: C24H17Cl2N3O2
inchikey: VMZHEMAZGRUVNX-UHFFFAOYSA-N
norman_susdat_id: NS00059261
pubchem_cid: 122589
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C24H17Cl2N3O2/c1-14-6-2-5-9-20(14)27-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)29-28-21-13-16(25)10-11-19(21)26/h2-13,30H,1H3,(H,27,31)


name: Sodium N-benzylsulphanilate
cas: 32339-03-0
formula: C13H13NO3S.Na
inchikey: QSJBCWFEIGFVGB-UHFFFAOYSA-M
norman_susdat_id: NS00089713
smiles: [Na+].[O-]S(=O)(=O)c1ccc(NCc2ccccc2)cc1
inchi:
InChI=1/C13H13NO3S.Na/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,15,16,17);/q;+1/p-1


name: Decyltriphenylphosphonium bromide
cas: 32339-43-8
dtxsid: DTXSID10954126
formula: C28H36P
inchikey: GVPLMQGXUUHCSB-UHFFFAOYSA-M
norman_susdat_id: NS00059245
pubchem_cid: 3084561
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCC
inchi:
InChI=1/C28H36P.BrH/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26,27-21-14-10-15-22-27)28-23-16-11-17-24-28;/h9-17,19-24H,2-8,18,25H2,1H3;1H/q+1;/p-1


name: Tetradecanoic acid, octadecyl ester
cas: 3234-81-9
chemspiderid: 69169
dtxsid: DTXSID0062921
formula: C32H64O2
inchikey: IEDOGKKOPNRRKW-UHFFFAOYSA-N
norman_susdat_id: NS00021122
pubchem_cid: 76711
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-14-12-10-8-6-4-2/h3-31H2,1-2H3


name: Octadecyl dodecanoate
cas: 3234-84-2
chemspiderid: 69170
dtxsid: DTXSID4052005
formula: C30H60O2
inchikey: TZXYSEYEGNHPQI-UHFFFAOYSA-N
norman_susdat_id: NS00029263
pubchem_cid: 76712
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C30H60O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h3-29H2,1-2H3


name: Myristyl myristate
cas: 3234-85-3
chebiid: CHEBI:138721
chemspiderid: 17572
dtxsid: DTXSID5047403
formula: C28H56O2
inchikey: DZKXJUASMGQEMA-UHFFFAOYSA-N
norman_susdat_id: NS00009046
pubchem_cid: 18605
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3


name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-7-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]heptanoic acid
cas: 32347-41-4
dtxsid: DTXSID90663108
formula: C10HF19O3
inchikey: LJUULLNFNNTPAJ-UHFFFAOYSA-N
norman_susdat_id: NS00111945
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10HF19O3/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)10(28,29)32-7(21,8(22,23)24)9(25,26)27/h(H,30,31)


name: N-[N-[(phenylmethoxy)carbonyl]-L-alanyl]glycine
cas: 3235-17-4
dtxsid: DTXSID00954135
formula: C13H16N2O5
inchikey: RNBMQRYMCAVZPN-VIFPVBQESA-N
norman_susdat_id: NS00046412
pubchem_cid: 7004843
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)O)C
inchi:
InChI=1/C13H16N2O5/c1-9(12(18)14-7-11(16)17)15-13(19)20-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,18)(H,15,19)(H,16,17)


name: 2,4-DB 2-butoxyethyl ester
cas: 32357-46-3
chemspiderid: 33210
dtxsid: DTXSID5041354
formula: C16H22Cl2O4
inchikey: IRLJKGHTPKJLFX-UHFFFAOYSA-N
norman_susdat_id: NS00029266
pubchem_cid: 36107
smiles: CCCCOCCOC(=O)CCCOc1c(Cl)cc(Cl)cc1
inchi:
InChI=1S/C16H22Cl2O4/c1-2-3-8-20-10-11-22-16(19)5-4-9-21-15-7-6-13(17)12-14(15)18/h6-7,12H,2-5,8-11H2,1H3


name: Phenol, 2,4-bis(1,1-dimethylethyl)-5-pentadecyl-
cas: 32360-04-6
dtxsid: DTXSID6067676
formula: C29H52O
inchikey: SOHBNMLQQDWLAV-UHFFFAOYSA-N
norman_susdat_id: NS00066878
smiles: CCCCCCCCCCCCCCCC1=CC(O)=C(C=C1C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C29H52O/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-22-27(30)26(29(5,6)7)23-25(24)28(2,3)4/h22-23,30H,8-21H2,1-7H3


name: Sodium hydrogen 2-sulphonatotetradecanoate
cas: 32361-96-9
dtxsid: DTXSID00885531
formula: C14H28O5S
inchikey: QNIFXCNMADEBBX-UHFFFAOYSA-L
norman_susdat_id: NS00058811
pubchem_cid: 122546
smiles: [Na+].O=C([O-])C(CCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13(14(15)16)20(17,18)19;/h13H,2-12H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-2


name: Dichlorooctylaluminium
cas: 3238-27-5
formula: C8H17AlCl2
inchikey: RBLGTYCOUOIUNY-UHFFFAOYSA-L
norman_susdat_id: NS00082300
smiles: CCCCCCCC[Al](Cl)Cl
inchi:
InChI=1/C8H17.Al.2ClH/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;;2*1H/q;+2;;/p-2/rC8H17AlCl2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3


name: Sisomicin
cas: 32385-11-8
chebiid: CHEBI:9169
chemspiderid: 33222
dtxsid: DTXSID0023583
formula: C19H37N5O7
inchikey: URWAJWIAIPFPJE-YFMIWBNJSA-N
norman_susdat_id: NS00011534
pubchem_cid: 36119
inchi:
InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1

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


name: 5-Chloro-2'-deoxycytidine
cas: 32387-56-7
dtxsid: DTXSID40186099
formula: C9H12ClN3O4
inchikey: NGGRGTWYSXYVDK-RRKCRQDMSA-N
norman_susdat_id: NS00071551
pubchem_cid: 100802
smiles: Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl
inchi:
InChI=1S/C9H12ClN3O4/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


cas: 32388-55-9
chemspiderid: 96341
dtxsid: DTXSID4029353
formula: C17H26O1
inchi: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3
inchikey: YBUIAJZFOGJGLJ-UHFFFAOYSA-N
norman_susdat_id: NS00004460
pubchem_cid: 107065
smiles: CC1CCC2C(C)(C)C3CC12CC(C(C)=O)=C3C
name:
[3R-(3Î±,3aÎ²,7Î²,8aÎ±)]-1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one


name: Dianhydro-D-mannitol dioleate
cas: 32391-01-8
formula: C42H74O6
inchikey: NSDNRRCEYUFXNV-UHFFFAOYSA-N
norman_susdat_id: NS00089511
smiles: CCCCCCCCC=CCCCCCCCC(=O)OC1COC2C(COC12)OC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)47-37-35-45-42-38(36-46-41(37)42)48-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37-38,41-42H,3-16,21-36H2,1-2H3


name: Phenylmercury dimethyldithiocarbamate
cas: 32407-99-1
formula: C9H11HgNS2
inchikey: FDIYOTSIIQEQSA-UHFFFAOYSA-M
norman_susdat_id: NS00089733
smiles: CN(C)C(=S)[S-].[Hg+]c1ccccc1
inchi:
InChI=1/C6H5.C3H7NS2.Hg/c1-2-4-6-5-3-1;1-4(2)3(5)6;/h1-5H;1-2H3,(H,5,6);/q;;+1/p-1/rC6H5Hg.C3H7NS2/c7-6-4-2-1-3-5-6;1-4(2)3(5)6/h1-5H;1-2H3,(H,5,6)/q+1;/p-1


name: Bunaftine
cas: 32421-46-8
chebiid: CHEBI:135392
chemspiderid: 33233
dtxsid: DTXSID90186165
formula: C21H30N2O1
inchikey: WWGZXRYELYWJBD-UHFFFAOYSA-N
norman_susdat_id: NS00029276
pubchem_cid: 36131
smiles: CCCCN(CCN(CC)CC)C(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C21H30N2O/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20/h8-14H,4-7,15-17H2,1-3H3


name: (2,5-dihydroxy-3,6-dimethyl-1,4,2,5-dioxadiphosphorinane-3,6-diyl)bisphosphonic acid P,P'-dioxide
cas: 32421-74-2
dtxsid: DTXSID70954187
formula: C4H12O12P4
inchikey: HAHPKRLEQYOYCU-UHFFFAOYSA-N
norman_susdat_id: NS00059303
pubchem_cid: 122606
smiles: O=P(O)(O)C1(OP(=O)(O)C(OP1(=O)O)(C)P(=O)(O)O)C
inchi:
InChI=1/C4H12O12P4/c1-3(17(5,6)7)15-20(13,14)4(2,18(8,9)10)16-19(3,11)12/h1-2H3,(H,11,12)(H,13,14)(H2,5,6,7)(H2,8,9,10)


name: Tetrasodium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 32422-03-0
formula: C4H13NO7P2.4Na
inchikey: YNCIDAAHPJTKAG-UHFFFAOYSA-J
norman_susdat_id: NS00090453
smiles: [Na+].[Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.4Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4


cas: 32425-60-8
formula: C25H18N4O6
inchikey: VXFAMJGPMZADFW-UHFFFAOYSA-N
norman_susdat_id: NS00059254
pubchem_cid: NA
smiles: O=C(O)C1=NN(C(=O)C1=CC=CC=CC2=C(O)N(N=C2C(=O)O)C=3C=CC=CC3)C=4C=CC=CC4
name:
4-[5-(3-carboxy-5-hydroxy-1-phenyl-1H-pyrazol-4-yl)penta-2,4-dienylidene]-4,5-dihydroxy-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C25H18N4O6/c30-22-18(20(24(32)33)26-28(22)16-10-4-1-5-11-16)14-8-3-9-15-19-21(25(34)35)27-29(23(19)31)17-12-6-2-7-13-17/h1-15,30H,(H,32,33)(H,34,35)


cas: 32425-62-0
formula: C25H18N4O12S2
inchikey: TZPWPQHXYQGSRG-UHFFFAOYSA-N
norman_susdat_id: NS00090009
smiles: OS(=O)(=O)c1ccc(cc1)n4nc(C(O)=O)c(C=CC=CC=C3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c4O
name:
4-[5-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C25H18N4O12S2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)


cas: 32425-63-1
formula: C23H16N4O12S2
inchikey: DUAPFKKDEHBNEJ-UHFFFAOYSA-N
norman_susdat_id: NS00059728
pubchem_cid: NA
smiles: O=C(O)C1=NN(C(=O)C1=CC=CC2=C(O)N(N=C2C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O
name:
4-[3-[3-carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl]allylidene]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C23H16N4O12S2/c28-20-16(18(22(30)31)24-26(20)12-4-8-14(9-5-12)40(34,35)36)2-1-3-17-19(23(32)33)25-27(21(17)29)13-6-10-15(11-7-13)41(37,38)39/h1-11,28H,(H,30,31)(H,32,33)(H,34,35,36)(H,37,38,39)


name: Benzyldidecylmethylammonium chloride
cas: 32426-10-1
dtxsid: DTXSID4041860
formula: C28H52N
inchikey: MQWVSQIVACGLLU-UHFFFAOYSA-M
norman_susdat_id: NS00059729
pubchem_cid: 169424
smiles: [Cl-].C=1C=CC(=CC1)C[N+](C)(CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C28H52N.ClH/c1-4-6-8-10-12-14-16-21-25-29(3,27-28-23-19-18-20-24-28)26-22-17-15-13-11-9-7-5-2;/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3;1H/q+1;/p-1


name: 2-[(4-chloro-2-nitrophenyl)azo]-N-(4-chloro-o-tolyl)-3-oxobutyramide
cas: 32432-45-4
dtxsid: DTXSID40865635
formula: C17H15Cl2N4O4
inchikey: WLFKZMHSYFTYSW-UHFFFAOYSA-N
norman_susdat_id: NS00059730
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C=C1C)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C17H14Cl2N4O4/c1-9-7-11(18)3-5-13(9)20-17(25)16(10(2)24)22-21-14-6-4-12(19)8-15(14)23(26)27/h3-8,16H,1-2H3,(H,20,25)


name: Bis(methacryloyloxyethyl) hydrogen phosphate
cas: 32435-46-4
chemspiderid: 109318
dtxsid: DTXSID3044916
formula: C12H19O8P1
inchikey: NXBXJOWBDCQIHF-UHFFFAOYSA-N
norman_susdat_id: NS00019392
pubchem_cid: 122612
smiles: CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C
inchi:
InChI=1S/C12H19O8P/c1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4/h1,3,5-8H2,2,4H3,(H,15,16)


cas: 3244-88-0
dtxsid: DTXSID8044418
formula: C20H20N2O9S3
inchikey: FWKVTXCCTRONHI-UHFFFAOYSA-L
norman_susdat_id: NS00046458
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC(=CC=C1N)C(=C2C=CCC(=C2)S(=O)(=O)O)C=3C=C(C(N)=C(C3)S(=O)(=O)[O-])C
name:
3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid

inchi:
InChI=1/C20H20N2O9S3/c1-11-7-14(10-18(20(11)22)34(29,30)31)19(12-3-2-4-15(8-12)32(23,24)25)13-5-6-16(21)17(9-13)33(26,27)28/h2-3,5-10H,4,21-22H2,1H3,(H,23,24,25)(H,26,27,28)(H,29,30,31)/p-2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-cystine
cas: 32442-99-2
dtxsid: DTXSID40954194
formula: C18H23N3O6S3
inchikey: USWIMCHOXDPGKC-KBPBESRZSA-N
norman_susdat_id: NS00060829
pubchem_cid: 21120173
smiles: O=C(O)C(N)CSSCC(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)C(=O)O
inchi:
InChI=1/C18H23N3O6S3/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)30(26,27)20-14(18(24)25)10-29-28-9-13(19)17(22)23/h3-8,13-14,20H,9-10,19H2,1-2H3,(H,22,23)(H,24,25)


name: Butoxytitanium dichloride
cas: 32448-92-3
formula: C4H9Cl2OTi
inchikey: FJTKWEAHOJMCAV-UHFFFAOYSA-L
norman_susdat_id: NS00089978
smiles: [Cl-].[Cl-].CCCCO[Ti+].CCCCO[Ti+]
inchi:
InChI=1/2C4H9O.2ClH.2Ti/c2*1-2-3-4-5;;;;/h2*2-4H2,1H3;2*1H;;/q2*-1;;;2*+2/p-2/r2C4H9OTi.2ClH/c2*1-2-3-4-5-6;;/h2*2-4H2,1H3;2*1H/q2*+1;;/p-2


name: Dibutoxytitanium chloride
cas: 32448-94-5
formula: C8H18ClO2Ti
inchikey: RXJGDMRGEZKZMC-UHFFFAOYSA-M
norman_susdat_id: NS00090018
smiles: [Cl-].CCCCO[Ti]OCCCC
inchi:
InChI=1/2C4H9O.ClH.Ti/c2*1-2-3-4-5;;/h2*2-4H2,1H3;1H;/q2*-1;;+2/p-1/rC8H18O2Ti.ClH/c1-3-5-7-9-11-10-8-6-4-2;/h3-8H2,1-2H3;1H/p-1


name: Methyl 3-a,12-a-dihydroxy-5-ß-cholan-24-oate
cas: 3245-38-3
dtxsid: DTXSID70954203
formula: C25H42O4
inchikey: ZHUOOEGSSFNTNP-UHFFFAOYSA-N
norman_susdat_id: NS00045685
pubchem_cid: 95608
smiles: O=C(OC)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
inchi:
InChI=1/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3


name: (all-E)-2-(9-methoxy-3,7-dimethyl-1,3,5,7-nonatetraenyl)-1,3,3-trimethylcyclohexene
cas: 32450-56-9
formula: C21H32O
inchikey: XWULCDOSZPRLEQ-UHFFFAOYSA-N
norman_susdat_id: NS00059836
pubchem_cid: 92284
smiles: O(C)CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
inchi:
InChI=1/C21H32O/c1-17(9-7-10-18(2)14-16-22-6)12-13-20-19(3)11-8-15-21(20,4)5/h7,9-10,12-14H,8,11,15-16H2,1-6H3


name: Inosinylyl-(3'<U+2192>5')-inosine
cas: 32452-39-4
formula: C20H23N8O12P
inchikey: YMHBNJSSNDWETP-UHFFFAOYSA-N
norman_susdat_id: NS00059837
pubchem_cid: NA
smiles: O=P(O)(OCC1OC(N2C=NC=3C(O)=NC=NC32)C(O)C1O)OC4C(O)C(OC4CO)N5C=NC=6C(O)=NC=NC65
inchi:
InChI=1/C20H23N8O12P/c29-1-7-14(13(32)20(38-7)28-6-26-10-16(28)22-4-24-18(10)34)40-41(35,36)37-2-8-11(30)12(31)19(39-8)27-5-25-9-15(27)21-3-23-17(9)33/h3-8,11-14,19-20,29-32H,1-2H2,(H,35,36)(H,21,23,33)(H,22,24,34)


name: 2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium trichlorozincate
cas: 32457-96-8
formula: C18H28N3O3.Cl3Zn
inchikey: DPSHVJVLUUPJAI-UHFFFAOYSA-K
norman_susdat_id: NS00089710
smiles: CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C18H28N3O3.3ClH.Zn/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;;;;/h13-14H,3-12H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC18H28N3O3.Cl3Zn/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;1-4(2)3/h13-14H,3-12H2,1-2H3;/q+1;-1


name: Sodium 1,4-dinonyl sulfosuccinate
cas: 3246-20-6
chemspiderid: 56270
dtxsid: DTXSID8042393
formula: C22H42O7S1
inchikey: OQFRATAOPGTAOP-UHFFFAOYNA-M
norman_susdat_id: NS00020636
pubchem_cid: NA
smiles: [Na+].CCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1S/C22H42O7S/c1-3-5-7-9-11-13-15-17-28-21(23)19-20(30(25,26)27)22(24)29-18-16-14-12-10-8-6-4-2/h20H,3-19H2,1-2H3,(H,25,26,27)/t20-/m1/s1


name: L-D-(a-Aminoadipoyl)-L-Cysteinyl-D-Valine
cas: 32467-88-2
chebiid: CHEBI:28496
dtxsid: DTXSID20332274
formula: C14H25N3O6S
inchikey: BYEIJZFKOAXBBV-ATZCPNFKSA-N
norman_susdat_id: NS00069507
pubchem_cid: 448130
smiles: CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O
inchi:
InChI=1S/C14H25N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,24H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1


name: 4,4',4''-Trimethyltrityl alcohol
cas: 3247-00-5
chemspiderid: 69191
dtxsid: DTXSID10186203
formula: C22H22O1
inchikey: DNWQXZDDISHGRM-UHFFFAOYSA-N
norman_susdat_id: NS00029282
pubchem_cid: 76733
smiles: Cc1ccc(cc1)C(O)(c1ccc(C)cc1)c1ccc(C)cc1
inchi:
InChI=1S/C22H22O/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3


name: Disodium 2,2'-methylenebis[3,4,6-trichlorophenolate]
cas: 3247-34-5
formula: C13H6Cl6O2.2Na
inchikey: UQWJZQUQIILWBP-UHFFFAOYSA-L
norman_susdat_id: NS00081631
smiles: [Na+].[Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl
inchi:
InChI=1/C13H6Cl6O2.2Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2


cas: 324763-46-4
chemspiderid: 9950256
formula: C25H39N3O5
inchikey: YTRPFWMXDNQTCX-UHFFFAOYSA-N
norman_susdat_id: NS00003989
pubchem_cid: 20725260
smiles: COCCCOc1cc(CC(CC(N=[N+]=[N-])C2CC(C(C)C)C(=O)O2)C(C)C)ccc1OC
name:
(3S,5S)-5-[(1S,3S)-1-azido-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methylpentyl]-3-(propan-2-yl)oxolan-2-one

inchi:
InChI=1S/C25H39N3O5/c1-16(2)19(14-21(27-28-26)23-15-20(17(3)4)25(29)33-23)12-18-8-9-22(31-6)24(13-18)32-11-7-10-30-5/h8-9,13,16-17,19-21,23H,7,10-12,14-15H2,1-6H3


name: Perfluoro-2-methyl-12-iodododecane
cas: 3248-61-1
chemspiderid: 69194
dtxsid: DTXSID4062933
formula: C13F27I1
inchikey: UHFPYSDLCDSLDC-UHFFFAOYSA-N
norman_susdat_id: NS00011179
pubchem_cid: 76736
smiles: FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13F27I/c14-1(11(33,34)35,12(36,37)38)2(15,16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)13(39,40)41


name: Perfluoro-14-iodo-2-(methyl)tetradecane
cas: 3248-63-3
chemspiderid: 69195
dtxsid: DTXSID9062934
formula: C15F31I1
inchikey: CCRYUWIVRLYGBO-UHFFFAOYSA-N
norman_susdat_id: NS00011182
pubchem_cid: 76737
inchi:
InChI=1S/C15F31I/c16-1(13(39,40)41,14(42,43)44)2(17,18)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)15(45,46)47

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


name: Basic Violet 2
cas: 3248-91-7
chebiid: CHEBI:87671
chemspiderid: 17578
dtxsid: DTXSID80879817
formula: C22H23N3
inchikey: IPSIPYMEZZPCPY-UHFFFAOYSA-N
norman_susdat_id: NS00019808
pubchem_cid: 14454445
smiles: Cc1cc(ccc1N)C(=C2C=CC(=[NH2+])C(=C2)C)c3ccc(c(c3)C)N.[Cl-]
inchi:
InChI=1S/C22H23N3/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18/h4-12,23H,24-25H2,1-3H3/b23-19-


name: C.I. Basic Violet 14- free base (parent)
cas: 3248-93-9
chemspiderid: 10618802
dtxsid: DTXSID0043844
formula: C20H19N3
inchikey: YDCMWLQSPFTWCS-UHFFFAOYSA-N
norman_susdat_id: NS00003498
pubchem_cid: 12448
smiles: CC1=CC(C=CC1=N)=C(c1ccc(N)cc1)c1ccc(N)cc1
inchi:
InChI=1S/C20H19N3/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15/h2-12,23H,21-22H2,1H3


name: 4-Desmethyllucanthone
cas: 32484-50-7
chemspiderid: 65574
dtxsid: DTXSID20186214
formula: C19H22N2O1S1
inchikey: LJDRCIHLYQOFIR-UHFFFAOYSA-N
norman_susdat_id: NS00029287
pubchem_cid: 72735
smiles: CCN(CC)CCNc1c2c(=O)c3ccccc3sc2ccc1
inchi:
InChI=1S/C19H22N2OS/c1-3-21(4-2)13-12-20-15-9-7-11-17-18(15)19(22)14-8-5-6-10-16(14)23-17/h5-11,20H,3-4,12-13H2,1-2H3


name: Docosanoic acid, lead salt
cas: 3249-61-4
formula: C22H44O2.xPb
inchikey: TZIMLXLDGCHRIR-UHFFFAOYSA-N
norman_susdat_id: NS00081637
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H44O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;;;/h2-21H2,1H3,(H,23,24);;;/q;+4;;/rC22H44O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);1H2/q;+4


cas: 32492-61-8
formula: C15H16O2
norman_susdat_id: NS00101543
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(1-methylethylidene)di-4,1-phenylene]bis[.omega.-hydroxy-


name: Acetamide, N,N'-(9,9',10,10'-tetrahydro-9,9',10',10'-tetraoxo[1,1'-bianthracene]-2,2'-diyl)bis-
cas: 32497-38-4
chemspiderid: 109541
dtxsid: DTXSID5067689
formula: C32H20N2O6
inchikey: GDFOHGQLIJYMJE-UHFFFAOYSA-N
norman_susdat_id: NS00029288
pubchem_cid: 122890
smiles: CC(=O)Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1c1c(NC(=O)C)ccc2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C32H20N2O6/c1-15(35)33-23-13-11-21-25(31(39)19-9-5-3-7-17(19)29(21)37)27(23)28-24(34-16(2)36)14-12-22-26(28)32(40)20-10-6-4-8-18(20)30(22)38/h3-14H,1-2H3,(H,33,35)(H,34,36)


name: Tetrabutylammonium hydrogen sulphate
cas: 32503-27-8
formula: C16H36N.HO4S
inchikey: SHFJWMWCIHQNCP-UHFFFAOYSA-L
norman_susdat_id: NS00090483
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Tetrahexylammonium hydrogen sulphate
cas: 32503-34-7
formula: C24H52N.HO4S
inchikey: RULHPTADXJPDSN-UHFFFAOYSA-L
norman_susdat_id: NS00089711
smiles: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C24H52N.H2O4S/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-5(2,3)4/h5-24H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Norpropoxyphene (Desmethyl propoxyphene)
cas: 32504-12-5
chemspiderid: 2341605
formula: C21H27N1O2
inchikey: IKACRWYHQXOSGM-UTKZUKDTSA-N
norman_susdat_id: NS00010447
pubchem_cid: 3084563
smiles: CCC(=O)O[C@](Cc1ccccc1)(c2ccccc2)[C@H](C)CNC
inchi:
InChI=1S/C21H27NO2/c1-4-20(23)24-21(17(2)16-22-3,19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,17,22H,4,15-16H2,1-3H3/t17-,21+/m1/s1


name: Decyl stearate
cas: 32509-55-0
chemspiderid: 97724
dtxsid: DTXSID9067691
formula: C28H56O2
inchikey: KBODESQIOVVMAI-UHFFFAOYSA-N
norman_susdat_id: NS00029289
pubchem_cid: 108682
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC
inchi:
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h3-27H2,1-2H3


cas: 32509-66-3
chemspiderid: 109542
dtxsid: DTXSID9052006
formula: C51H68O8
inchikey: RMTSEIXJXOIOOO-UHFFFAOYSA-N
norman_susdat_id: NS00019382
pubchem_cid: 121232754
name:
2-{[3,3-Bis(3-tert-butyl-4-hydroxyphenyl)butanoyl]oxy}ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-tert-butyl-4-hydroxyphenyl)butanoate

inchi:
InChI=1S/C51H68O8/c1-31-24-35(28-39(45(31)57)49(11,12)13)51(15,34-18-21-42(54)38(27-34)48(8,9)10)30-44(56)59-23-22-58-43(55)29-50(14,32-16-19-40(52)36(25-32)46(2,3)4)33-17-20-41(53)37(26-33)47(5,6)7/h16-21,24-28,52-54,57H,22-23,29-30H2,1-15H3

smiles:
CC1=C(O)C(=CC(=C1)C(C)(CC(=O)OCCOC(=O)CC(C)(C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C)C(C)(C)C


cas: 3251-84-1
formula: C33H38N3.Cl
inchikey: XPYRKKDYSGJSKK-UHFFFAOYSA-N
norman_susdat_id: NS00082345
smiles: [Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(NC4CCCCC4)c5ccccc35
name:
[4-[a-[4-(cyclohexylamino)-1-naphthyl]-p-(dimethylamino)benzylidene]-2,5-cyclohexadien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C33H37N3.ClH/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;/h8-9,12-23,26H,5-7,10-11H2,1-4H3;1H


cas: 32510-61-5
formula: C13H14N6O6S
inchikey: PIXMOMPJMIAMLJ-CABZTGNLSA-N
norman_susdat_id: NS00089980
smiles: CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)Cn3cnnn3)C2=O)C(=O)O
name:
(6R-trans)-3-(acetoxymethyl)-8-oxo-7-(1H-tetrazol-1-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C13H14N6O6S/c1-6(20)25-3-7-4-26-12-9(11(22)19(12)10(7)13(23)24)15-8(21)2-18-5-14-16-17-18/h5,9,12H,2-4H2,1H3,(H,15,21)(H,23,24)


name: 2,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate)
cas: 32527-15-4
chemspiderid: 33251
dtxsid: DTXSID9067693
formula: C20H18O6S2
inchikey: DXMVSZQXZAMXJA-UHFFFAOYSA-N
norman_susdat_id: NS00029291
pubchem_cid: 36155
smiles: Cc1ccc(cc1)S(=O)(=O)OCC#CC#CCOS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C20H18O6S2/c1-17-7-11-19(12-8-17)27(21,22)25-15-5-3-4-6-16-26-28(23,24)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-2H3


name: Tiaramide
cas: 32527-55-2
chebiid: CHEBI:135504
chemspiderid: 5270
dtxsid: DTXSID0023666
formula: C15H20Cl1N3O3S1
inchikey: HTJXMOGUGMSZOG-UHFFFAOYSA-N
norman_susdat_id: NS00029292
pubchem_cid: 5469
smiles: [Cl-].OCCN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC2SC1=O.[H+]
inchi:
InChI=1S/C15H20ClN3O3S/c16-11-1-2-13-12(9-11)19(15(22)23-13)10-14(21)18-5-3-17(4-6-18)7-8-20/h1-2,9,12-13,20H,3-8,10H2/t12-,13+/m0/s1


name: 2-(3,4-dimethoxyphenyl)-5-{[2-(4-hydroxy-3-methoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile
cas: 32529-79-6
chemspiderid: NA
dtxsid: DTXSID70893325
formula: C25H34N2O4
inchikey: OGPWXYNEWNCFSU-UHFFFAOYSA-N
norman_susdat_id: NS00004046
pubchem_cid: 90238777
smiles: COc1cc(CCNCCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)ccc1O
inchi:
InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-10-22(29-3)24(16-20)31-5)12-6-13-27-14-11-19-7-9-21(28)23(15-19)30-4/h7-10,15-16,18,27-28H,6,11-14H2,1-5H3


name: N-L-alanyl-L-histidine
cas: 3253-17-6
chebiid: CHEBI:74388
formula: C9H14N4O3
inchikey: XZWXFWBHYRFLEF-FSPLSTOPSA-N
norman_susdat_id: NS00045703
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)C)CC=1N=CNC1
inchi:
InChI=1/C9H14N4O3/c1-5(10)8(14)13-7(9(15)16)2-6-3-11-4-12-6/h3-5,7H,2,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)


name: 4,4'-isopropylidenediphenyl dimethacrylate
cas: 3253-39-2
chebiid: CHEBI:34579
dtxsid: DTXSID80863135
formula: C23H24O4
inchikey: QUZSUMLPWDHKCJ-UHFFFAOYSA-N
norman_susdat_id: NS00045704
pubchem_cid: 76739
smiles: O=C(OC1=CC=C(C=C1)C(C2=CC=C(OC(=O)C(=C)C)C=C2)(C)C)C(=C)C
inchi:
InChI=1/C23H24O4/c1-15(2)21(24)26-19-11-7-17(8-12-19)23(5,6)18-9-13-20(14-10-18)27-22(25)16(3)4/h7-14H,1,3H2,2,4-6H3


name: 2-Propenoic acid, 2-methyl-, 2,2-bis[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester
cas: 3253-41-6
chemspiderid: 69198
dtxsid: DTXSID9062936
formula: C21H28O8
inchikey: KGBBDBRJXGILTQ-UHFFFAOYSA-N
norman_susdat_id: NS00029293
pubchem_cid: 76740
smiles: CC(=C)C(=O)OCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
inchi:
InChI=1S/C21H28O8/c1-13(2)17(22)26-9-21(10-27-18(23)14(3)4,11-28-19(24)15(5)6)12-29-20(25)16(7)8/h1,3,5,7,9-12H2,2,4,6,8H3


name: Convallatoxol
cas: 3253-62-1
chemspiderid: 101289682
formula: C29H44O10
inchikey: UQEKVLJMBGSQGS-JQKSAQOKSA-N
norman_susdat_id: NS00093789
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([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)CO)O)O)O


name: Isooctyl 2-(2,4,5-trichlorophenoxy)propionate
cas: 32534-95-5
dtxsid: DTXSID60858807
formula: C17H23Cl3O3
inchikey: WMMUNRAGHLZFQS-UHFFFAOYSA-N
norman_susdat_id: NS00059876
pubchem_cid: 61910
smiles: O=C(OCCCC(C)CCC)C(OC1=CC(Cl)=C(Cl)C=C1Cl)C
inchi:
InChI=1/C17H23Cl3O3/c1-4-6-11(2)7-5-8-22-17(21)12(3)23-16-10-14(19)13(18)9-15(16)20/h9-12H,4-8H2,1-3H3


name: Sodium hydrogen sulphonatooleate
cas: 32536-60-0
formula: C18H34O5S
inchikey: BKHIPXYILWCYCA-KVVVOXFISA-L
norman_susdat_id: NS00059290
pubchem_cid: NA
smiles: [Na+].O=C([O-])C(CCCCCCC=CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H34O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;/h9-10,17H,2-8,11-16H2,1H3,(H,19,20)(H,21,22,23);/q;+1/p-2


name: a,a-diphenylpiperidine-1-butanol hydrochloride
cas: 3254-89-5
chebiid: CHEBI:31481
formula: C21H27NO.ClH
inchikey: AVZIYZHXZAYGJS-UHFFFAOYSA-N
norman_susdat_id: NS00081639
smiles: Cl.OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H27NO.ClH/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22;/h1-2,4-7,11-14,23H,3,8-10,15-18H2;1H


name: 1-Bromo-3-(heptadecafluorooctyl)benzene
cas: 325459-90-3
dtxsid: DTXSID30391554
formula: C14H4BrF17
inchikey: CCDZSLNFIBUPNY-UHFFFAOYSA-N
norman_susdat_id: NS00109865
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)C1=CC(Br)=CC=C1
inchi:
InChI=1S/C14H4BrF17/c15-6-3-1-2-5(4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H


name: Tris[3-(perfluorooctyl)phenyl]phosphine
cas: 325459-91-4
dtxsid: DTXSID30412359
formula: C42H12F51P
inchikey: VQWYSTZTOSMTTA-UHFFFAOYSA-N
norman_susdat_id: NS00109869
inchi:
InChI=1S/C42H12F51P/c43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-4-1-7-16(10-13)94(17-8-2-5-14(11-17)20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90)18-9-3-6-15(12-18)21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93/h1-12H

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)C1=CC(=CC=C1)P(C1=CC=CC(=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=CC(=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
cas: 325459-92-5
dtxsid: DTXSID10404732
formula: C48H24F51P
inchikey: MTUBRWIMDWTZST-UHFFFAOYSA-N
norman_susdat_id: NS00109163
inchi:
InChI=1S/C48H24F51P/c49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99/h1-12H,13-18H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(C=C1)P(C1=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)C1=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


name: Uridylyl(3'<U+2192>5')adenosine
cas: 3256-24-4
formula: C19H24N7O12P
inchikey: SWTWQWKNQDDGCS-UHFFFAOYSA-N
norman_susdat_id: NS00046425
pubchem_cid: 273124
smiles: O=C1C=CN(C(=O)N1)C2OC(CO)C(OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C2O
inchi:
InChI=1/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(30)11(29)8(37-17)4-35-39(33,34)38-14-7(3-27)36-18(13(14)31)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)


name: 4-nitrophenyl N2-[(benzyloxy)carbonyl]-L-asparaginate
cas: 3256-57-3
dtxsid: DTXSID80954294
formula: C18H18N3O7
inchikey: YLWIFNIVONXXMG-HNNXBMFYSA-N
norman_susdat_id: NS00046479
pubchem_cid: 7021351
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)N
inchi:
InChI=1/C18H17N3O7/c19-16(22)10-15(20-18(24)27-11-12-4-2-1-3-5-12)17(23)28-14-8-6-13(7-9-14)21(25)26/h1-9,15H,10-11H2,(H2,19,22)(H,20,24)


name: 5,5-dimethyl-3-[2-(oxiranylmethoxy)propyl]-1-(oxiranylmethyl)imidazolidine-2,4-dione
cas: 32568-89-1
dtxsid: DTXSID00885536
formula: C14H22N2O5
inchikey: OQAPYXJOOYQXDV-UHFFFAOYSA-N
norman_susdat_id: NS00059294
pubchem_cid: 61911
smiles: O=C1N(C(=O)C(N1CC2OC2)(C)C)CC(OCC3OC3)C
inchi:
InChI=1/C14H22N2O5/c1-9(19-7-11-8-21-11)4-15-12(17)14(2,3)16(13(15)18)5-10-6-20-10/h9-11H,4-8H2,1-3H3


name: Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-
cas: 32569-24-7
chemspiderid: 109551
dtxsid: DTXSID4067696
formula: C19H20N6O5S1
inchikey: JGQCLEVYGZXEAQ-UHFFFAOYSA-N
norman_susdat_id: NS00029296
pubchem_cid: 122901
smiles: CC(=O)Nc1cc(ccc1N=Nc1c2cc(ccc2ns1)[N+](=O)[O-])N(CCO)CCO
inchi:
InChI=1S/C19H20N6O5S/c1-12(28)20-18-11-13(24(6-8-26)7-9-27)2-5-17(18)21-22-19-15-10-14(25(29)30)3-4-16(15)23-31-19/h2-5,10-11,26-27H,6-9H2,1H3,(H,20,28)/b22-21+


name: S-benzyl-N-benzyloxycarbonyl-L-cysteine
cas: 3257-18-9
formula: C18H19NO4S
inchikey: ATPNWHGYKFXQNF-INIZCTEOSA-N
norman_susdat_id: NS00046426
pubchem_cid: 98775
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CSCC=2C=CC=CC2
inchi:
InChI=1/C18H19NO4S/c20-17(21)16(13-24-12-15-9-5-2-6-10-15)19-18(22)23-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,19,22)(H,20,21)


name: 1-Naphthalenesulfonic acid, 6-[(2,4-dimethyl-6-sulfophenyl)azo]-5-hydroxy-, disodium salt
cas: 3257-28-1
dtxsid: DTXSID9062938
formula: C18H16N2O7S2
inchikey: UEUGTXFKMNWFRE-UHFFFAOYSA-L
norman_susdat_id: NS00046471
pubchem_cid: 76746
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC=3C(=CC(=CC3S(=O)(=O)[O-])C)C)=CC=C21
inchi:
InChI=1/C18H16N2O7S2.2Na/c1-10-8-11(2)17(16(9-10)29(25,26)27)20-19-14-7-6-12-13(18(14)21)4-3-5-15(12)28(22,23)24;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 2-Anthracenecarbonitrile, 1-amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-
cas: 32571-82-7
chemspiderid: 109552
dtxsid: DTXSID9067697
formula: C21H13N3O2
inchikey: FJMZFDACASWQCW-UHFFFAOYSA-N
norman_susdat_id: NS00029298
pubchem_cid: 122902
smiles: Nc1c(cc(Nc2ccccc2)c2c1C(=O)c1c(cccc1)C2=O)C#N
inchi:
InChI=1S/C21H13N3O2/c22-11-12-10-16(24-13-6-2-1-3-7-13)17-18(19(12)23)21(26)15-9-5-4-8-14(15)20(17)25/h1-10,24H,23H2


name: Indiplon
cas: 325715-02-4
chemspiderid: 4953363
dtxsid: DTXSID80186270
formula: C20H16N4O2S1
inchikey: CBIAWPMZSFFRGN-UHFFFAOYSA-N
norman_susdat_id: NS00029297
pubchem_cid: 6450813
smiles: CN(C(=O)C)c1cc(ccc1)c1ccnc2c(cnn12)C(=O)c1cccs1
inchi:
InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3


name: Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato-O3,O4)zinc
cas: 32573-57-2
formula: C16H14O8Zn
inchikey: BDABSHLZSYWPTA-UHFFFAOYSA-N
norman_susdat_id: NS00090003
smiles: CC(=O)C1C(O[Zn]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O
inchi:
InChI=1/2C8H9O4.Zn/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,6-7H,1-2H3;/q2*-1;+2/rC16H18O8Zn/c1-7-5-11(13(9(3)17)15(19)21-7)23-25-24-12-6-8(2)22-16(20)14(12)10(4)18/h5-6,11-14H,1-4H3


name: Bis(3-acetyl-6-methyl-2H-pyran-2,4(3H)-dionato-O3,O4)magnesium
cas: 32574-43-9
formula: C16H14MgO8
inchikey: PPTWJGMSCYLAIG-UHFFFAOYSA-N
norman_susdat_id: NS00090501
smiles: CC(=O)C1C(O[Mg]OC2C=C(C)OC(=O)C2C(=O)C)C=C(C)OC1=O
inchi:
InChI=1/2C8H9O4.Mg/c2*1-4-3-6(10)7(5(2)9)8(11)12-4;/h2*3,6-7H,1-2H3;/q2*-1;+2/rC16H18MgO8/c1-7-5-11(13(9(3)18)15(20)22-7)24-17-25-12-6-8(2)23-16(21)14(12)10(4)19/h5-6,11-14H,1-4H3


cas: 3258-74-0
formula: C26H18N4O9S2
inchikey: VXQDQJNUUKARQY-UHFFFAOYSA-L
norman_susdat_id: NS00047028
pubchem_cid: 4123737
name:
Disodium 6-hydroxy-5-[[2-hydroxy-3-[(2-hydroxynaphthyl)azo]-5-sulphonatophenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H18N4O9S2.2Na/c31-22-9-5-14-3-1-2-4-18(14)24(22)29-27-20-12-17(41(37,38)39)13-21(26(20)33)28-30-25-19-8-7-16(40(34,35)36)11-15(19)6-10-23(25)32;;/h1-13,31-33H,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC(=CC(N=NC4=C(O)C=CC=5C=CC=CC54)=C3O)S(=O)(=O)[O-])=C1


name: Acetylfentanyl
cas: 3258-84-2
dtxsid: DTXSID80186275
formula: C21H26N2O
inchikey: FYIUUQUPOKIKNI-UHFFFAOYSA-N
norman_susdat_id: NS00067966
smiles: CC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
inchi:
InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3


name: N-(2-Benzoyl-4-chlorophenyl)-2-bromoacetamide
cas: 32580-26-0
chemspiderid: 109556
dtxsid: DTXSID40186276
formula: C15H11Br1Cl1N1O2
inchikey: VYYHFSBVBDFTML-UHFFFAOYSA-N
norman_susdat_id: NS00029299
pubchem_cid: 122906
smiles: Clc1ccc(NC(=O)CBr)c(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C15H11BrClNO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)


name: 1-Octadecanol, 2-tetradecyl-
cas: 32582-32-4
chemspiderid: 85222
dtxsid: DTXSID60885537
formula: C32H66O1
inchikey: RTXVDAJGIYOHFY-UHFFFAOYSA-N
norman_susdat_id: NS00003945
pubchem_cid: 94435
smiles: CCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCC
inchi:
InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3


name: Undecafluorocyclohexanemethanol dihydrogen phosphate
cas: 32582-74-4
chemspiderid: 23350801
dtxsid: DTXSID4051372
formula: C7H4F11O4P1
inchikey: QQIDKFGJPVLPAY-UHFFFAOYSA-N
norman_susdat_id: NS00011375
pubchem_cid: 71587110
smiles: C(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)OP(=O)(O)O
inchi:
InChI=1S/C7H4F11O4P/c8-2(1-22-23(19,20)21)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h1H2,(H2,19,20,21)


name: Undecafluorocyclohexanemethanol hydrogen phosphate
cas: 32582-75-5
chemspiderid: 32699461
dtxsid: DTXSID6051304
formula: C14H5F22O4P1
inchikey: KCRWTWGEXLKBSN-UHFFFAOYSA-N
norman_susdat_id: NS00011391
pubchem_cid: 71587109
smiles: C(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)OP(=O)(O)OCC2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F
inchi:
InChI=1S/C14H5F22O4P/c15-3(5(17,18)9(25,26)13(33,34)10(27,28)6(3,19)20)1-39-41(37,38)40-2-4(16)7(21,22)11(29,30)14(35,36)12(31,32)8(4,23)24/h1-2H2,(H,37,38)


cas: 32582-78-8
formula: C42H30N10O11S2.2Na
inchikey: DSLMAOFDWWGUEI-UHFFFAOYSA-L
norman_susdat_id: NS00089732
name:
Disodium hydrogen 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-anilino-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C42H30N10O11S2.2Na.H2/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);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].[O-]C(=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: N-(2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)stearamide
cas: 32582-85-7
chemspiderid: 109557
dtxsid: DTXSID60186278
formula: C24H52N4O1
inchikey: CFAQSLLBQNAXNY-UHFFFAOYSA-N
norman_susdat_id: NS00029301
pubchem_cid: 122908
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCN
inchi:
InChI=1S/C24H52N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h26-27H,2-23,25H2,1H3,(H,28,29)


name: 2-({4-[(2-hexyldecyl)oxy]phenyl}sulfonyl)butanoyl chloride
cas: 325855-89-8
chemspiderid: 29272452
formula: C26H43Cl1O4S1
inchikey: KTKOWADNISOOEN-UHFFFAOYSA-N
norman_susdat_id: NS00009854
pubchem_cid: NA
smiles: CCCCCCCCC(CCCCCC)COc1ccc(cc1)S(=O)(=O)C(CC)C(Cl)=O
inchi:
InChI=1S/C26H43ClO4S/c1-4-7-9-11-12-14-16-22(15-13-10-8-5-2)21-31-23-17-19-24(20-18-23)32(29,30)25(6-3)26(27)28/h17-20,22,25H,4-16,21H2,1-3H3


name: 1H-Isoindole-1,3(2H)-dione, 2,2'-(methylenedi-4,1-phenylene)bis[4,5,6,7-tetrabromo-
cas: 32588-74-2
chemspiderid: 109559
dtxsid: DTXSID1067700
formula: C29H10Br8N2O4
inchikey: RHFKNNBDKARGKL-UHFFFAOYSA-N
norman_susdat_id: NS00005814
pubchem_cid: 122910
smiles: Brc1c2C(=O)N(C(=O)c2c(Br)c(Br)c1Br)c1ccc(Cc2ccc(cc2)N2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1
inchi:
InChI=1S/C29H10Br8N2O4/c30-18-14-15(19(31)23(35)22(18)34)27(41)38(26(14)40)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)39-28(42)16-17(29(39)43)21(33)25(37)24(36)20(16)32/h1-8H,9H2


name: 1,2-Bis(tetrabromophthalimido)ethane
cas: 32588-76-4
chemspiderid: 33278
dtxsid: DTXSID6024626
formula: C18H4Br8N2O4
inchikey: DYIZJUDNMOIZQO-UHFFFAOYSA-N
norman_susdat_id: NS00009723
pubchem_cid: 36183
smiles: Brc1c2C(=O)N(CCN3C(=O)c4c(C3=O)c(Br)c(Br)c(Br)c4Br)C(=O)c2c(Br)c(Br)c1Br
inchi:
InChI=1S/C18H4Br8N2O4/c19-7-3-4(8(20)12(24)11(7)23)16(30)27(15(3)29)1-2-28-17(31)5-6(18(28)32)10(22)14(26)13(25)9(5)21/h1-2H2


name: Antipyrine, 4-(2-norbornylamino)-
cas: 32597-38-9
dtxsid: DTXSID60954318
formula: C18H23N3O
inchikey: UQIQPBXSAGXWTO-UHFFFAOYSA-N
norman_susdat_id: NS00059315
pubchem_cid: 122913
smiles: O=C1C(NC2CC3CCC2C3)=C(N(N1C=4C=CC=CC4)C)C
inchi:
InChI=1/C18H23N3O/c1-12-17(19-16-11-13-8-9-14(16)10-13)18(22)21(20(12)2)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-11H2,1-2H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N-[3-(trifluoromethyl)phenyl]nonanamide
cas: 325989-96-6
dtxsid: DTXSID70896194
formula: C16H5F20NO
inchikey: QCSAVEZBIBPLJM-UHFFFAOYSA-N
norman_susdat_id: NS00111463
smiles: FC(F)(F)c1cccc(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)c1
inchi:
InChI=1S/C16H5F20NO/c17-8(18,7(38)37-6-3-1-2-5(4-6)9(19,20)21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h1-4H,(H,37,38)


name: Perfluorooctanoate N,N,N-trimethylmethanaminium
cas: 32609-65-7
dtxsid: DTXSID20881358
formula: C12H12F15NO2
inchikey: IDXNJDWGFALBDP-UHFFFAOYSA-M
norman_susdat_id: NS00109574
smiles: C[N+](C)(C)C.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.C4H12N/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;1-5(2,3)4/h(H,24,25);1-4H3/q;+1/p-1


name: Gitaloxin
cas: 3261-53-8
chemspiderid: 8615825
dtxsid: DTXSID10186304
formula: C42H64O15
inchikey: GZZJHPZDXZCDDA-VMGZCELCSA-N
norman_susdat_id: NS00029307
pubchem_cid: 71300372
inchi:
InChI=1S/C42H64O15/c1-20-37(48)28(44)14-34(52-20)56-39-22(3)54-35(16-30(39)46)57-38-21(2)53-33(15-29(38)45)55-25-8-10-40(4)24(13-25)6-7-27-26(40)9-11-41(5)36(23-12-32(47)50-18-23)31(51-19-43)17-42(27,41)49/h12,19-22,24-31,33-39,44-46,48-49H,6-11,13-18H2,1-5H3/t20-,21+,22+,24-,25-,26-,27+,28-,29-,30+,31+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42+/m0/s1

smiles:
CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4CCC4(C)C(C(CC54O)OC=O)C4=CC(=O)OC4)C3)OC2C)OC1C


name: Ammonium (lauryloxypolyethoxy)ethyl sulfate
cas: 32612-48-9
chemspiderid: 23147
dtxsid: DTXSID9049588
formula: C14H30O5S1
inchikey: QTDIEDOANJISNP-UHFFFAOYSA-N
norman_susdat_id: NS00013359
pubchem_cid: 24761
smiles: N.CCCCCCCCCCCCOCCO[S](O)(=O)=O
inchi:
InChI=1S/C14H30O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3


cas: 32619-42-4
dtxsid: DTXSID60905103
formula: C25H32O13
inchikey: RFWGABANNQMHMZ-UHFFFAOYSA-N
norman_susdat_id: NS00059385
pubchem_cid: 3789874
smiles: O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(=CC)C1CC(=O)OCCC3=CC=C(O)C(O)=C3
name:
2-(3,4-dihydroxyphenyl)ethyl [2S-(2a,3E,4ß)]-3-ethylidene-2-(ß-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate

inchi:
InChI=1/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3


name: 4,5-Bis(acetoxymethyl)-2-methyl-3-pyridyl laurate hydrochloride
cas: 3262-86-0
chemspiderid: 2282698
dtxsid: DTXSID20186310
formula: C24H37N1O6
inchikey: LLIAEBRVLJUFFN-UHFFFAOYSA-N
norman_susdat_id: NS00029309
pubchem_cid: 92039899
smiles: [Cl-].CCCCCCCCCCCC(=O)Oc1c(COC(=O)C)c(COC(=O)C)cnc1C.[H+]
inchi:
InChI=1S/C24H37NO6/c1-5-6-7-8-9-10-11-12-13-14-23(28)31-24-18(2)25-15-21(16-29-19(3)26)22(24)17-30-20(4)27/h15H,5-14,16-17H2,1-4H3


name: 10,18-bisnorabieta-8,11,13-triene
cas: 32624-67-2
dtxsid: DTXSID50880718
formula: C18H26
inchikey: XWUVCHRGACWHNI-UHFFFAOYSA-N
norman_susdat_id: NS00095895
smiles: CC(C)c1ccc2C3CCCC(C)C3CCc2c1
inchi:
InChI=1/C18H26/c1-12(2)14-7-10-17-15(11-14)8-9-16-13(3)5-4-6-18(16)17/h7,10-13,16,18H,4-6,8-9H2,1-3H3


name: 6-ethoxy-2-(6-ethoxy-3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3(2H)-one
cas: 3263-31-8
dtxsid: DTXSID3062940
formula: C20H16O4S2
inchikey: VMXWZRNWXZSSCE-UHFFFAOYSA-N
norman_susdat_id: NS00048870
pubchem_cid: 18626
smiles: O=C1C(SC2=CC(OCC)=CC=C12)=C3SC4=CC(OCC)=CC=C4C3=O
inchi:
InChI=1/C20H16O4S2/c1-3-23-11-5-7-13-15(9-11)25-19(17(13)21)20-18(22)14-8-6-12(24-4-2)10-16(14)26-20/h5-10H,3-4H2,1-2H3


name: 1,8-dihydroxy-4-[[3-(1-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone
cas: 3263-46-5
dtxsid: DTXSID30883484
formula: C22H17N2O7
inchikey: ZSWIUCCRFLSRIH-UHFFFAOYSA-N
norman_susdat_id: NS00048871
pubchem_cid: NA
smiles: O=C1C=2C(O)=CC=C(NC3=CC=CC(=C3)C(O)C)C2C(=O)C=4C(=CC=C(O)C14)[N+](=O)[O-]
inchi:
InChI=1/C22H16N2O7/c1-10(25)11-3-2-4-12(9-11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h2-10,23,25-27H,1H3


name: 1,5-dihydroxy-4-[m-(1-hydroxyethyl)anilino]-8-nitroanthraquinone
cas: 3263-47-6
dtxsid: DTXSID90883485
formula: C22H17N2O7
inchikey: NJAPNCQWPKMTGE-UHFFFAOYSA-N
norman_susdat_id: NS00048807
pubchem_cid: NA
smiles: O=C1C=2C(O)=CC=C(C2C(=O)C=3C(O)=CC=C(NC4=CC=CC(=C4)C(O)C)C13)[N+](=O)[O-]
inchi:
InChI=1/C22H16N2O7/c1-10(25)11-3-2-4-12(9-11)23-13-5-7-15(26)19-17(13)21(28)20-16(27)8-6-14(24(30)31)18(20)22(19)29/h2-10,23,25-27H,1H3


name: [S(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid
cas: 32634-68-7
dtxsid: DTXSID80885539
formula: C20H18O8
inchikey: CMIBUZBMZCBCAT-UHFFFAOYSA-N
norman_susdat_id: NS00059949
pubchem_cid: 97036
smiles: O=C(OC(C(=O)O)C(OC(=O)C1=CC=C(C=C1)C)C(=O)O)C2=CC=C(C=C2)C
inchi:
InChI=1/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)


name: 17-hydroxy-6-methylenepregn-4-ene-3,20-dione 17-acetate
cas: 32634-95-0
dtxsid: DTXSID00954352
formula: C24H32O4
inchikey: YCDZXIYKJHQMIG-GQFGMJRRSA-N
norman_susdat_id: NS00059386
pubchem_cid: 94436
smiles: O=C(OC1(C(=O)C)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13,18-20H,1,6-12H2,2-5H3


name: Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 1,1-dioxide
cas: 32638-88-3
chemspiderid: 85224
dtxsid: DTXSID6067703
formula: C19H12O8S1
inchikey: KUQNCHZOCSYKOR-UHFFFAOYSA-N
norman_susdat_id: NS00029310
pubchem_cid: 94437
smiles: Oc1c(O)c2c(cc1)c(c1ccccc1S(=O)(=O)[O-])c1ccc(=O)c(O)c1o2
inchi:
InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)


name: N-(benzothiazol-2-ylthio)-N-cyclohexylbenzothiazole-2-sulphenamide
cas: 3264-02-6
dtxsid: DTXSID50186323
formula: C20H19N3S4
inchikey: WLYQQMMSTRZVRV-UHFFFAOYSA-N
norman_susdat_id: NS00048128
pubchem_cid: 76754
smiles: N1=C(SC=2C=CC=CC12)SN(SC3=NC=4C=CC=CC4S3)C5CCCCC5
inchi:
InChI=1/C20H19N3S4/c1-2-8-14(9-3-1)23(26-19-21-15-10-4-6-12-17(15)24-19)27-20-22-16-11-5-7-13-18(16)25-20/h4-7,10-14H,1-3,8-9H2


name: Triethyloxonium hexachloroantimonate(1-)
cas: 3264-67-3
formula: C6H15O.Cl6Sb
inchikey: QHWUSZRAYQUNCY-UHFFFAOYSA-H
norman_susdat_id: NS00083337
smiles: CC[O+](CC)CC.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl
inchi:
InChI=1/C6H15O.6ClH.Sb/c1-4-7(5-2)6-3;;;;;;;/h4-6H2,1-3H3;6*1H;/q+1;;;;;;;+5/p-6/rC6H15O.Cl6Sb/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1


name: 6ß-fluoro-3ß,5a,17-trihydroxy-16a-methylpregnan-20-one
cas: 3264-92-4
formula: C22H35FO4
inchikey: UOHQEFKIKABMNS-WSKNCWGTSA-N
norman_susdat_id: NS00049508
pubchem_cid: 247941
smiles: O=C(C)C1(O)C(C)CC2C3CC(F)C4(O)CC(O)CCC4(C)C3CCC21C
inchi:
InChI=1/C22H35FO4/c1-12-9-17-15-10-18(23)21(26)11-14(25)5-7-19(21,3)16(15)6-8-20(17,4)22(12,27)13(2)24/h12,14-18,25-27H,5-11H2,1-4H3


name: Butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate
cas: 32643-00-8
chemspiderid: 109565
dtxsid: DTXSID30186326
formula: C21H28N2O5S1
inchikey: FUBXAOXPLXHBPG-UHFFFAOYSA-N
norman_susdat_id: NS00029311
pubchem_cid: 122917
smiles: CCCCNc1cc(cc(c1Oc1ccccc1)S(=O)(=O)N)C(=O)OCCCC
inchi:
InChI=1S/C21H28N2O5S/c1-3-5-12-23-18-14-16(21(24)27-13-6-4-2)15-19(29(22,25)26)20(18)28-17-10-8-7-9-11-17/h7-11,14-15,23H,3-6,12-13H2,1-2H3,(H2,22,25,26)


name: D-Glucitol, bis-O-(phenylmethylene)-
cas: 32647-67-9
chemspiderid: 17215578
dtxsid: DTXSID4029355
formula: C20H20O6
inchikey: DAZRYUTWPPBZOY-UHFFFAOYSA-N
norman_susdat_id: NS00013565
pubchem_cid: NA
smiles: O[C@]12COC(O[C@@H]1[C@H]3OC(OC[C@H]3O2)c4ccccc4)c5ccccc5
inchi:
InChI=1S/C20H20O6/c21-20-12-23-19(14-9-5-2-6-10-14)25-17(20)16-15(26-20)11-22-18(24-16)13-7-3-1-4-8-13/h1-10,15-19,21H,11-12H2/t15-,16+,17-,18?,19?,20+/m1/s1


name: Tri-O-benzylidene-D-glucitol
cas: 32647-68-0
dtxsid: DTXSID60890828
formula: C27H32O6
inchikey: IVMIFASWEKAYOA-UHFFFAOYSA-N
norman_susdat_id: NS00059387
pubchem_cid: NA
smiles: OC(COCC=1C=CC=CC1)C(O)C(OCC=2C=CC=CC2)C(O)COCC=3C=CC=CC3
inchi:
InChI=1/C27H32O6/c28-24(19-31-16-21-10-4-1-5-11-21)26(30)27(33-18-23-14-8-3-9-15-23)25(29)20-32-17-22-12-6-2-7-13-22/h1-15,24-30H,16-20H2


name: Palladium, dichlorobis[tris[4-(heptadecafluorooctyl)phenyl]phosphine-βP]- (9CI)
cas: 326475-44-9
dtxsid: DTXSID10897483
formula: C83H27Cl2F97P2Pd
inchikey: MZTBKPXOTLFJPW-UHFFFAOYSA-L
norman_susdat_id: NS00109464
inchi:
InChI=1S/C42H14F49P.C41H13F48P.2ClH.Pd/c43-20(44,13-21(45,46)26(55,56)37(77,78)40(83,84)85)25(53,54)22(47,48)14-1-7-17(8-2-14)92(18-9-3-15(4-10-18)23(49,50)27(57,58)29(61,62)31(65,66)33(69,70)35(73,74)38(79,80)41(86,87)88)19-11-5-16(6-12-19)24(51,52)28(59,60)30(63,64)32(67,68)34(71,72)36(75,76)39(81,82)42(89,90)91;42-19(43)23(50,51)27(58,59)31(66,67)28(60,61)24(52,53)20(44,45)13-1-7-16(8-2-13)90(17-9-3-14(4-10-17)21(46,47)25(54,55)29(62,63)32(68,69)34(72,73)36(76,77)38(80,81)40(84,85)86)18-11-5-15(6-12-18)22(48,49)26(56,57)30(64,65)33(70,71)35(74,75)37(78,79)39(82,83)41(87,88)89;;;/h1-12H,13H2;1-12,19H;2*1H;/q;;;;+2/p-2

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


name: Bis[tris(3-(perfluorooctyl)phenyl)phosphine]palladium(II) dichloride
cas: 326475-45-0
dtxsid: DTXSID50461501
formula: C84H24Cl2F102P2Pd
inchikey: SEPYXRLJYOLXIJ-UHFFFAOYSA-L
norman_susdat_id: NS00110548
inchi:
InChI=1S/2C42H12F51P.2ClH.Pd/c2*43-19(44,22(49,50)25(55,56)28(61,62)31(67,68)34(73,74)37(79,80)40(85,86)87)13-4-1-7-16(10-13)94(17-8-2-5-14(11-17)20(45,46)23(51,52)26(57,58)29(63,64)32(69,70)35(75,76)38(81,82)41(88,89)90)18-9-3-6-15(12-18)21(47,48)24(53,54)27(59,60)30(65,66)33(71,72)36(77,78)39(83,84)42(91,92)93;;;/h2*1-12H;2*1H;/q;;;;+2/p-2

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


name: Palladium, dichlorobis[tris[4-(2-(perfluorooctyl)ethyl)phenyl]phosphine-βP]-
cas: 326475-46-1
dtxsid: DTXSID70897484
formula: C96H48Cl2F102P2Pd
inchikey: KONKDVXTNQEYIF-UHFFFAOYSA-L
norman_susdat_id: NS00111528
inchi:
InChI=1S/2C48H24F51P.2ClH.Pd/c2*49-25(50,28(55,56)31(61,62)34(67,68)37(73,74)40(79,80)43(85,86)46(91,92)93)16-13-19-1-7-22(8-2-19)100(23-9-3-20(4-10-23)14-17-26(51,52)29(57,58)32(63,64)35(69,70)38(75,76)41(81,82)44(87,88)47(94,95)96)24-11-5-21(6-12-24)15-18-27(53,54)30(59,60)33(65,66)36(71,72)39(77,78)42(83,84)45(89,90)48(97,98)99;;;/h2*1-12H,13-18H2;2*1H;/q;;;;+2/p-2

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


name: 1,4-Diphenylcyclohexane-1,4-diol
cas: 32651-20-0
chemspiderid: 109567
dtxsid: DTXSID10186329
formula: C18H20O2
inchikey: USAODBZLWPXYON-UHFFFAOYSA-N
norman_susdat_id: NS00029314
pubchem_cid: 122921
smiles: OC1(CCC(O)(CC1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H20O2/c19-17(15-7-3-1-4-8-15)11-13-18(20,14-12-17)16-9-5-2-6-10-16/h1-10,19-20H,11-14H2/t17-,18-


name: Tetrasodium 4,4'-bis[[p-[(p-sulphonatophenyl)azo]phenyl]-N,N,O-azoxy]stilbene-2,2'-disulphonate
cas: 32651-66-4
formula: C38H28N8O14S4.4Na
inchikey: DPZSZYKUTXQFLL-UHFFFAOYSA-J
norman_susdat_id: NS00089774
inchi:
InChI=1/C38H28N8O14S4.4Na/c47-45(43-31-9-5-27(6-10-31)39-41-29-13-19-35(20-14-29)61(49,50)51)33-17-3-25(37(23-33)63(55,56)57)1-2-26-4-18-34(24-38(26)64(58,59)60)46(48)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)62(52,53)54;;;;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4/rC38H24N8Na4O14S4/c47-61-65(53,54)35-19-13-29(14-20-35)41-39-27-5-9-31(10-6-27)43-45(51)33-17-3-25(37(23-33)67(57,58)63-49)1-2-26-4-18-34(24-38(26)68(59,60)64-50)46(52)44-32-11-7-28(8-12-32)40-42-30-15-21-36(22-16-30)66(55,56)62-48/h1-24H

smiles:
[Na]OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=N(=O)c3ccc(C=Cc4ccc(cc4S(=O)(=O)O[Na])N(=O)=Nc5ccc(cc5)N=Nc6ccc(cc6)S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na]


name: S,S-bis[[4-(1,1-dimethylethyl)-3-hydroxy-2,6-dimethylphenyl]methyl] terephthalate
cas: 32657-12-8
dtxsid: DTXSID50954362
formula: C34H42O4S2
inchikey: IBNAEPDYNMYGQK-UHFFFAOYSA-N
norman_susdat_id: NS00060966
pubchem_cid: 122923
smiles: O=C(SCC1=C(C=C(C(O)=C1C)C(C)(C)C)C)C2=CC=C(C=C2)C(=O)SCC3=C(C=C(C(O)=C3C)C(C)(C)C)C
inchi:
InChI=1/C34H42O4S2/c1-19-15-27(33(5,6)7)29(35)21(3)25(19)17-39-31(37)23-11-13-24(14-12-23)32(38)40-18-26-20(2)16-28(34(8,9)10)30(36)22(26)4/h11-16,35-36H,17-18H2,1-10H3


name: Eprozinol
cas: 32665-36-4
chebiid: CHEBI:135497
formula: C22H30N2O2
inchikey: QSRHLIUOSXVKTG-UHFFFAOYSA-N
norman_susdat_id: NS00059388
pubchem_cid: 122553
smiles: OC(C=1C=CC=CC1)CCN2CCN(CC2)CC(OC)C=3C=CC=CC3
inchi:
InChI=1/C22H30N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,21-22,25H,12-18H2,1H3


name: Tripropyltin acetate
cas: 3267-78-5
dtxsid: DTXSID10186344
formula: C9H21Sn
inchikey: LSBFRYCHYLHPSU-UHFFFAOYSA-M
norman_susdat_id: NS00048808
pubchem_cid: NA
smiles: O=C([O-])C.[Sn+](CCC)(CCC)CCC
inchi:
InChI=1/3C3H7.C2H4O2.Sn/c3*1-3-2;1-2(3)4;/h3*1,3H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC9H21Sn.C2H4O2/c1-4-7-10(8-5-2)9-6-3;1-2(3)4/h4-9H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: Dihydro-2,2-dimethyl-6H-1,3,2-oxathiastannin-6-one
cas: 32673-05-5
dtxsid: DTXSID1067708
formula: C5H10O2SSn
inchikey: YZWBIXWWOWRJCW-UHFFFAOYSA-L
norman_susdat_id: NS00060990
pubchem_cid: 16684207
smiles: O=C1O[Sn](SCC1)(C)C
inchi:
InChI=1/C3H6O2S.2CH3.Sn/c4-3(5)1-2-6;;;/h6H,1-2H2,(H,4,5);2*1H3;/q;;;+2/p-2/rC5H10O2SSn/c1-9(2)7-5(6)3-4-8-9/h3-4H2,1-2H3


name: N-(3-cyclopropyl-1h-pyrazol-5-yl)-2-(2-phthyl)acetamide
cas: 326823-27-2
formula: C18H17N3O
inchikey: RIGZCVNCFXYBEG-UHFFFAOYSA-N
norman_susdat_id: NS00069325
pubchem_cid: 449087
smiles: O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)n[nH]1
inchi:
InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)


name: 4-(acetylamino)phenyl 4-(nitrooxy)butanoate
cas: 326850-30-0
dtxsid: DTXSID50426079
formula: C12H14N2O6
inchikey: XTMOQAKCOFLCRZ-UHFFFAOYSA-N
norman_susdat_id: NS00069740
pubchem_cid: 6918532
smiles: CC(=O)Nc1ccc(OC(=O)CCCO[N+](=O)[O-])cc1
inchi:
InChI=1S/C12H14N2O6/c1-9(15)13-10-4-6-11(7-5-10)20-12(16)3-2-8-19-14(17)18/h4-7H,2-3,8H2,1H3,(H,13,15)


cas: 32686-78-5
formula: C21H15Cl2N7O7S
inchikey: DRALWIRWMZTFQC-UHFFFAOYSA-L
norman_susdat_id: NS00060991
pubchem_cid: NA
smiles: [Na+].[Na+].O=C([O-])CN1N=C(C)C(N=NC2=CC=C(C=C2S(=O)(=O)[O-])NC(=O)C=3C=CC4=NC(Cl)=C(Cl)N=C4C3)C1=O
name:
Disodium 4-[[4-(2,3-dichloroquinoxaline-6-carboxamido)-2-sulphonatophenyl]azo]-3-methyl-5-oxo-2-pyrazolin-1-acetate

inchi:
InChI=1/C21H15Cl2N7O7S.2Na/c1-9-17(21(34)30(29-9)8-16(31)32)28-27-13-5-3-11(7-15(13)38(35,36)37)24-20(33)10-2-4-12-14(6-10)26-19(23)18(22)25-12;;/h2-7,17H,8H2,1H3,(H,24,33)(H,31,32)(H,35,36,37);;/q;2*+1/p-2


name: Bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoyl) peroxide
cas: 32687-76-6
chemspiderid: NA
dtxsid: DTXSID10548701
formula: C14H2F24O4
inchikey: RWRPNOCBTYVGOR-UHFFFAOYSA-N
norman_susdat_id: NS00011147
pubchem_cid: 13761597
smiles: FC(C(C(C(C(C(C(=O)OOC(=O)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
inchi:
InChI=1S/C14H2F24O4/c15-1(16)5(19,20)9(27,28)13(35,36)11(31,32)7(23,24)3(39)41-42-4(40)8(25,26)12(33,34)14(37,38)10(29,30)6(21,22)2(17)18/h1-2H


name: 3-[3,5-DI(tert-butyl)-4-hydroxyphenyl]propanohydrazide
cas: 32687-77-7
chemspiderid: 58395
dtxsid: DTXSID1027978
formula: C17H28N2O2
inchikey: KMWIPXLIKIAZMT-UHFFFAOYSA-N
norman_susdat_id: NS00020078
pubchem_cid: 64865
smiles: CC(C)(C)c1cc(CCC(=O)NN)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C17H28N2O2/c1-16(2,3)12-9-11(7-8-14(20)19-18)10-13(15(12)21)17(4,5)6/h9-10,21H,7-8,18H2,1-6H3,(H,19,20)


cas: 32687-78-8
chemspiderid: 55777
dtxsid: DTXSID6027979
formula: C34H52N2O4
inchikey: HCILJBJJZALOAL-UHFFFAOYSA-N
norman_susdat_id: NS00007562
pubchem_cid: 61916
smiles: CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
name:
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide

inchi:
InChI=1S/C34H52N2O4/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12/h17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38)


name: Pheniramine 4-aminosalicylate
cas: 3269-83-8
formula: C16H20N2.C7H7NO3
inchikey: OJAJSEABEYJWLC-UHFFFAOYSA-N
norman_susdat_id: NS00083367
smiles: CN(C)CCC(c1ccccc1)c2ccccn2.Nc3ccc(C(=O)O)c(O)c3
inchi:
InChI=1/C16H20N2.C7H7NO3/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;8-4-1-2-5(7(10)11)6(9)3-4/h3-10,12,15H,11,13H2,1-2H3;1-3,9H,8H2,(H,10,11)


name: Su-11652
cas: 326914-10-7
chebiid: CHEBI:132084
dtxsid: DTXSID90648016
formula: C22H27ClN4O2
inchikey: XPLJEFSRINKZLC-ATVHPVEESA-N
norman_susdat_id: NS00069728
pubchem_cid: 5329103
smiles: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2C(=O)Nc3ccc(Cl)cc32)c1C
inchi:
InChI=1S/C22H27ClN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-


name: N,N'-(methylenedicyclohexane-1,4-diyl)distearamide
cas: 32694-71-6
dtxsid: DTXSID20954379
formula: C49H94N2O2
inchikey: YSPFHOZWZGITKP-UHFFFAOYSA-N
norman_susdat_id: NS00060992
pubchem_cid: 122928
smiles: O=C(NC1CCC(CC1)CC2CCC(NC(=O)CCCCCCCCCCCCCCCCC)CC2)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C49H94N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-48(52)50-46-39-35-44(36-40-46)43-45-37-41-47(42-38-45)51-49(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-47H,3-43H2,1-2H3,(H,50,52)(H,51,53)


cas: 32694-95-4
dtxsid: DTXSID20889713
formula: C38H40N12O8S2
inchikey: OFFPXUUNBQIOQV-QDBORUFSSA-L
norman_susdat_id: NS00059855
pubchem_cid: 160223
name:
Disodium 4,4'-bis[[6-anilino-4-[(2-hydroxypropyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C38H40N12O8S2.2Na/c1-23(51)21-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(19-29)59(53,54)55)13-14-26-16-18-30(20-32(26)60(56,57)58)44-38-48-34(40-22-24(2)52)46-36(50-38)42-28-11-7-4-8-12-28;;/h3-20,23-24,51-52H,21-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC3=NC(=NC(=N3)NCC(O)C)NC=4C=CC=CC4)NC5=NC(=NC(=N5)NCC(O)C)NC=6C=CC=CC6


name: Chlorogenic acid
cas: 327-97-9
chebiid: CHEBI:16112
chemspiderid: NA
dtxsid: DTXSID3024786
formula: C16H18O9
inchikey: CWVRJTMFETXNAD-JUHZACGLSA-N
norman_susdat_id: NS00015066
pubchem_cid: 1794427
smiles: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
inchi:
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1


name: D-1-Acetyl lysergic acid diethylamide
cas: 3270-02-8
dtxsid: DTXSID20186370
formula: C22H27N3O2
inchikey: FJOWXGYLIWJFCH-OXQOHEQNSA-N
norman_susdat_id: NS00093632
smiles: CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2CC3=CN(C(C)=O)C4=CC=CC(=C34)C2=C1
inchi:
InChI=1S/C22H27N3O2/c1-5-24(6-2)22(27)16-10-18-17-8-7-9-19-21(17)15(13-25(19)14(3)26)11-20(18)23(4)12-16/h7-10,13,16,20H,5-6,11-12H2,1-4H3/t16-,20-/m1/s1


name: 1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
cas: 3271-22-5
chemspiderid: 69213
dtxsid: DTXSID8062943
formula: C21H15N3O2
inchikey: FYGHRTSDRSCANY-UHFFFAOYSA-N
norman_susdat_id: NS00020637
pubchem_cid: 76757
smiles: COc1nc(nc(OC)n1)c1ccc2ccc3cccc4c3c2c1cc4
inchi:
InChI=1S/C21H15N3O2/c1-25-20-22-19(23-21(24-20)26-2)16-11-9-14-7-6-12-4-3-5-13-8-10-15(16)18(14)17(12)13/h3-11H,1-2H3


name: Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione
cas: 3271-76-9
chemspiderid: 4514386
dtxsid: DTXSID3062944
formula: C31H15N1O3
inchikey: HHKPGQSPFVLKMV-UHFFFAOYSA-N
norman_susdat_id: NS00020638
pubchem_cid: 5359855
smiles: O=C1c2ccc3c([nH]c4ccc5c6c(cccc6)c(=O)c6c5c4c3cc6)c2C(=O)c2c1cccc2
inchi:
InChI=1S/C31H15NO3/c33-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(35)21-8-4-3-7-20(21)30(23)34/h1-14,32H


name: Copper dipalmitate
cas: 3271-87-2
formula: C16H32O2.1/2Cu
inchikey: GYPBUYJSHBFNEJ-UHFFFAOYSA-L
norman_susdat_id: NS00083044
smiles: [Cu+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: N,N-Diethylethanaminium heptadecafluorononanoate
cas: 327176-80-7
dtxsid: DTXSID00896980
formula: C15H16F17NO2
inchikey: VHKGZTFLSZRKOS-UHFFFAOYSA-N
norman_susdat_id: NS00109089
smiles: CC[NH+](CC)CC.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2.C6H15N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;1-4-7(5-2)6-3/h(H,27,28);4-6H2,1-3H3


name: 9,10-Anthracenedione, 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-
cas: 32724-62-2
chemspiderid: 109582
dtxsid: DTXSID5067710
formula: C36H38N2O2
inchikey: IBABXJRXGSAJLQ-UHFFFAOYSA-N
norman_susdat_id: NS00005149
pubchem_cid: 122937
smiles: CCc1cc(C)cc(CC)c1Nc1ccc(Nc2c(CC)cc(C)cc2CC)c2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3


name: 5-methyl-2-thiouridine
cas: 32738-09-3
formula: C10H14N2O5S
inchikey: SNNBPMAXGYBMHM-UHFFFAOYSA-N
norman_susdat_id: NS00055279
pubchem_cid: NA
smiles: O=C1NC(=S)N(C=C1C)C2OC(CO)C(O)C2O
inchi:
InChI=1/C10H14N2O5S/c1-4-2-12(10(18)11-8(4)16)9-7(15)6(14)5(3-13)17-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,18)


cas: 3274-73-5
formula: C65H86N12O14S2
inchikey: FVTVNUVEOWTSNK-JCNUAAGLSA-N
norman_susdat_id: NS00049560
pubchem_cid: 16167714
name:
S-benzyl-N-(benzyloxycarbonyl)-L-cysteinyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-S-benzyl-L-cysteinyl-L-prolyl-L-leucylglycinamide

inchi:
InChI=1/C65H86N12O14S2/c1-5-40(4)56(76-60(85)48(31-41-23-25-45(78)26-24-41)71-61(86)50(37-92-35-43-18-11-7-12-19-43)75-65(90)91-34-42-16-9-6-10-17-42)63(88)70-46(27-28-53(66)79)58(83)72-49(32-54(67)80)59(84)74-51(38-93-36-44-20-13-8-14-21-44)64(89)77-29-15-22-52(77)62(87)73-47(30-39(2)3)57(82)69-33-55(68)81/h6-14,16-21,23-26,39-40,46-52,56,78H,5,15,22,27-38H2,1-4H3,(H2,66,79)(H2,67,80)(H2,68,81)(H,69,82)(H,70,88)(H,71,86)(H,72,83)(H,73,87)(H,74,84)(H,75,90)(H,76,85)

smiles:
O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NCC(=O)N)CC(C)C)CSCC=3C=CC=CC3)CC(=O)N)CCC(=O)N)C(C)CC)CC4=CC=C(O)C=C4)CSCC=5C=CC=CC5


name: Bis[2-[(azidocarbonyl)oxy]ethyl] isophthalate
cas: 32741-83-6
chemspiderid: 148207
dtxsid: DTXSID0067715
formula: C14H12N6O8
inchikey: IXCZLTALPWNWDM-UHFFFAOYSA-N
norman_susdat_id: NS00029328
pubchem_cid: 169466
smiles: [N-]=[N+]=NC(=O)OCCOC(=O)c1cc(ccc1)C(=O)OCCOC(=O)N=[N+]=[N-]
inchi:
InChI=1S/C14H12N6O8/c15-19-17-13(23)27-6-4-25-11(21)9-2-1-3-10(8-9)12(22)26-5-7-28-14(24)18-20-16/h1-3,8H,4-7H2


name: [1,1'-Biphenyl]-2,4',5-tricarboxylic acid, trimethyl ester
cas: 32741-92-7
chemspiderid: 109587
dtxsid: DTXSID5067716
formula: C18H16O6
inchikey: ZLRSGCDCVGSPKI-UHFFFAOYSA-N
norman_susdat_id: NS00029329
pubchem_cid: 122944
smiles: COC(=O)c1ccc(cc1)c1c(ccc(c1)C(=O)OC)C(=O)OC
inchi:
InChI=1S/C18H16O6/c1-22-16(19)12-6-4-11(5-7-12)15-10-13(17(20)23-2)8-9-14(15)18(21)24-3/h4-10H,1-3H3


name: 20-(4-Octylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
cas: 32742-88-4
chemspiderid: 109588
dtxsid: DTXSID40186413
formula: C28H50O8
inchikey: IZCAZGDGLZWLNZ-UHFFFAOYSA-N
norman_susdat_id: NS00029332
pubchem_cid: 122945
smiles: CCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C28H50O8/c1-2-3-4-5-6-7-8-27-9-11-28(12-10-27)36-26-25-35-24-23-34-22-21-33-20-19-32-18-17-31-16-15-30-14-13-29/h9-12,29H,2-8,13-26H2,1H3


name: Cytidine sulphate
cas: 32747-18-5
formula: C9H13N3O5.xH2O4S
inchikey: SYPYJHGPUCBHLU-IAIGYFSYSA-N
norman_susdat_id: NS00087870
smiles: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O.OS(=O)(=O)O
inchi:
InChI=1/C9H13N3O5.H2O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;1-5(2,3)4/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);(H2,1,2,3,4)


name: Desoxymethyltestosterone
cas: 3275-64-7
chebiid: CHEBI:79620
dtxsid: DTXSID50872931
formula: C20H32O
inchikey: FRVHJVATKMIOPQ-PAPWGAKMSA-N
norman_susdat_id: NS00068004
smiles: [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC=CC[C@]12C
inchi:
InChI=1S/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1


name: 3,3',5,5'-Tetrahydro(1,1'-biphenyl)-2,2'-diol
cas: 32750-04-2
chemspiderid: 279626
dtxsid: DTXSID70186421
formula: C12H6N4O10
inchikey: LJGKEHHBUDLIBA-UHFFFAOYSA-N
norman_susdat_id: NS00029333
pubchem_cid: 3906201
smiles: Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C12H6N4O10/c17-11-7(1-5(13(19)20)3-9(11)15(23)24)8-2-6(14(21)22)4-10(12(8)18)16(25)26/h1-4,17-18H


name: 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl palmitate
cas: 32750-68-8
chemspiderid: 109592
dtxsid: DTXSID30186422
formula: C21H42O4
inchikey: RZCXLAVLGNSKPI-UHFFFAOYSA-N
norman_susdat_id: NS00029334
pubchem_cid: 122950
smiles: CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO
inchi:
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)25-19-21(2,17-22)18-23/h22-23H,3-19H2,1-2H3


name: Potassium 6-(p-toluidino)naphthalene-2-sulphonate
cas: 32752-10-6
formula: C17H15NO3S.K
inchikey: GVDCHDBOXJUSDZ-UHFFFAOYSA-M
norman_susdat_id: NS00087871
smiles: [K+].Cc1ccc(Nc2ccc3cc(ccc3c2)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C17H15NO3S.K/c1-12-2-6-15(7-3-12)18-16-8-4-14-11-17(22(19,20)21)9-5-13(14)10-16;/h2-11,18H,1H3,(H,19,20,21);/q;+1/p-1


name: 13-Acetylphorbol
cas: 32752-29-7
chebiid: CHEBI:45127
dtxsid: DTXSID90954407
formula: C22H30O7
inchikey: SDSVJYOOAPRSDA-RPCQODIISA-N
norman_susdat_id: NS00070880
pubchem_cid: 499953
smiles: CC(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C
inchi:
InChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1


name: 2-((1-Oxobutoxy)methyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
cas: 32753-14-3
chemspiderid: 109594
dtxsid: DTXSID10186425
formula: C30H54O8
inchikey: DHTLVXVGJKYARR-UHFFFAOYSA-N
norman_susdat_id: NS00029336
pubchem_cid: 122952
smiles: CCCCCCC(=O)OCC(COC(=O)CCC)(COC(=O)CCCCCC)COC(=O)CCCCCC
inchi:
InChI=1S/C30H54O8/c1-5-9-12-15-19-27(32)36-23-30(22-35-26(31)18-8-4,24-37-28(33)20-16-13-10-6-2)25-38-29(34)21-17-14-11-7-3/h5-25H2,1-4H3


cas: 32762-75-7
norman_susdat_id: NS00113555
name:
1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2,5-furandione and 1,2-propanediol


name: 5-(Tridecafluorohexyl)-2,2'-bithiophene
cas: 327630-34-2
dtxsid: DTXSID70896114
formula: C14H5F13S2
inchikey: KILCWELZTSEPSB-UHFFFAOYSA-N
norman_susdat_id: NS00111455
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(s1)-c1cccs1
inchi:
InChI=1S/C14H5F13S2/c15-9(16,8-4-3-7(29-8)6-2-1-5-28-6)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5H


name: 5-Bromo-5'-(tridecafluorohexyl)-2,2'-bithiophene
cas: 327630-35-3
dtxsid: DTXSID50896157
formula: C14H4BrF13S2
inchikey: VOBUCWYYRVENGT-UHFFFAOYSA-N
norman_susdat_id: NS00110766
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(s1)-c1ccc(Br)s1
inchi:
InChI=1S/C14H4BrF13S2/c15-8-4-2-6(30-8)5-1-3-7(29-5)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h1-4H


name: 5-[1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl]salicylamide monohydrochloride
cas: 32780-64-6
chebiid: CHEBI:6344
formula: C19H24N2O3.ClH
inchikey: WQVZLXWQESQGIF-UHFFFAOYSA-N
norman_susdat_id: NS00087824
smiles: Cl.CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N
inchi:
InChI=1/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H


cas: 32781-74-1
formula: C22H18Br4N4O9S2
inchikey: ZHHMGDPDMMBKAG-UHFFFAOYSA-N
norman_susdat_id: NS00056305
pubchem_cid: 122556
smiles: O=C(NC1=CC=C(C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)O)NC(=O)C(Br)CBr)=C1)S(=O)(=O)O)C(Br)CBr
name:
6-(2,3-dibromopropionamido)-3-[[5-(2,3-dibromopropionamido)-2-sulphophenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C22H18Br4N4O9S2/c23-8-14(25)21(32)27-11-2-1-10-5-18(41(37,38)39)19(20(31)13(10)6-11)30-29-16-7-12(28-22(33)15(26)9-24)3-4-17(16)40(34,35)36/h1-7,14-15,31H,8-9H2,(H,27,32)(H,28,33)(H,34,35,36)(H,37,38,39)


name: 5-chloro-2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 32783-03-2
dtxsid: DTXSID50954443
formula: C25H29ClN3
inchikey: WVCKTHFKVZTZHI-UHFFFAOYSA-M
norman_susdat_id: NS00055431
pubchem_cid: NA
smiles: [Cl-].N#CCCN(C1=CC=C(C=CC2=[N+](C=3C=CC(Cl)=CC3C2(C)C)C)C(=C1)C)CC
inchi:
InChI=1/C25H29ClN3.ClH/c1-6-29(15-7-14-27)21-11-8-19(18(2)16-21)9-13-24-25(3,4)22-17-20(26)10-12-23(22)28(24)5;/h8-13,16-17H,6-7,15H2,1-5H3;1H/q+1;/p-1


name: Benzenesulfonamide, N-[2-(1,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl-
cas: 32787-68-1
chemspiderid: 109603
dtxsid: DTXSID5067718
formula: C21H17N3O3S1
inchikey: PJUVRKPTCSHXQT-UHFFFAOYSA-N
norman_susdat_id: NS00029347
pubchem_cid: 122962
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c(cccc1)c1nc2ccccc2c(=O)[nH]1
inchi:
InChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25)


name: Acecainide
cas: 32795-44-1
chebiid: CHEBI:60728
chemspiderid: 4189
dtxsid: DTXSID6048414
formula: C15H23N3O2
inchikey: KEECCEWTUVWFCV-UHFFFAOYSA-N
norman_susdat_id: NS00008609
pubchem_cid: 4342
smiles: CCN(CC)CCNC(=O)c1ccc(cc1)N=C(C)O
inchi:
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)


name: Benzenesulfonic acid, 4,4'-(3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl)bis-
cas: 32796-55-7
chebiid: CHEBI:63946
chemspiderid: 31454
dtxsid: DTXSID90186463
formula: C20H14N4O6S2
inchikey: JFVUMQYWYNDZDK-UHFFFAOYSA-N
norman_susdat_id: NS00029351
pubchem_cid: 34128
smiles: OS(=O)(=O)c1ccc(cc1)c1c(nc(nn1)c1ncccc1)c1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C20H14N4O6S2/c25-31(26,27)15-8-4-13(5-9-15)18-19(14-6-10-16(11-7-14)32(28,29)30)23-24-20(22-18)17-3-1-2-12-21-17/h1-12H,(H,25,26,27)(H,28,29,30)


name: Glisentide
cas: 32797-92-5
chebiid: CHEBI:135725
chemspiderid: 59199
dtxsid: DTXSID10186465
formula: C22H27N3O5S1
inchikey: NSJYMFYVNWVGON-UHFFFAOYSA-N
norman_susdat_id: NS00029352
pubchem_cid: 65779
smiles: COc1c(cccc1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCC1
inchi:
InChI=1S/C22H27N3O5S/c1-30-20-9-5-4-8-19(20)21(26)23-15-14-16-10-12-18(13-11-16)31(28,29)25-22(27)24-17-6-2-3-7-17/h4-5,8-13,17H,2-3,6-7,14-15H2,1H3,(H,23,26)(H2,24,25,27)


name: N'-{[4-(Dimethylamino)phenyl]methylidene}-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanehydrazide
cas: 328016-16-6
dtxsid: DTXSID90896232
formula: C16H12F13N3O
inchikey: SRUIZVSPDIHICU-UHFFFAOYSA-N
norman_susdat_id: NS00112152
smiles: CN(C)c1ccc(C=NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C16H12F13N3O/c1-32(2)9-5-3-8(4-6-9)7-30-31-10(33)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-7H,1-2H3,(H,31,33)


name: 4-[(4-{imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
cas: 328061-37-6
formula: C17H14N6O2S
inchikey: NKORVPQBJCGYEC-UHFFFAOYSA-N
norman_susdat_id: NS00068502
pubchem_cid: 5288527
smiles: NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
inchi:
InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)


name: Methanaminium perfluoro-2-(2-propoxypropoxy)propanoate
cas: 328065-29-8
dtxsid: DTXSID50897523
formula: C10H6F17NO4
inchikey: CINUVEKCAUZRIJ-UHFFFAOYSA-N
norman_susdat_id: NS00110838
smiles: C[NH3+].[O-]C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C9HF17O4.CH5N/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19;1-2/h(H,27,28);2H2,1H3


cas: 328065-54-9
dtxsid: DTXSID80896509
formula: C11H8F17NO4
inchikey: GPFMSPFBVXSGBE-UHFFFAOYSA-N
norman_susdat_id: NS00111828
smiles: CNC.OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoic acid--N-methylmethanamine (1/1)

inchi:
InChI=1/C9HF17O4.C2H7N/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19;1-3-2/h(H,27,28);3H,1-2H3


name: Bucloxic acid
cas: 32808-51-8
chebiid: CHEBI:135236
chemspiderid: 84103
dtxsid: DTXSID5022695
formula: C16H19Cl1O3
inchikey: IJTPQQVCKPZIMV-UHFFFAOYSA-N
norman_susdat_id: NS00029355
pubchem_cid: 93159
smiles: [O-]C(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1.[O-]C(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1
inchi:
InChI=1S/C16H19ClO3/c17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H,19,20)


name: Calcium 3-chloro-4-cyclohexyl-<U+03B3>-oxobenzenebutyrate
cas: 32808-53-0
formula: C16H19ClO3.1/2Ca
inchikey: FKJKZQUQHXSBHB-UHFFFAOYSA-L
norman_susdat_id: NS00087873
smiles: [Ca+2].[O-]C(=O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1.[O-]C(=O)CCC(=O)c3ccc(C4CCCCC4)c(Cl)c3
inchi:
InChI=1/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2


name: Didodecyldimethylammonium bromide
cas: 3282-73-3
formula: C26H56N.Br
inchikey: XRWMGCFJVKDVMD-UHFFFAOYSA-M
norman_susdat_id: NS00083340
smiles: [Br-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C26H56N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H/q+1;/p-1


name: 2-aminoethyl oleate
cas: 3282-75-5
formula: C20H39NO2
inchikey: VPHOSDZKGZRSAI-KTKRTIGZSA-N
norman_susdat_id: NS00048203
pubchem_cid: 6436599
smiles: O=C(OCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10H,2-8,11-19,21H2,1H3


name: Sodium 3,9-diethyltridecan-6-yl sulphate
cas: 3282-85-7
dtxsid: DTXSID1041552
formula: C17H36O4S
inchikey: DJIKQWNNMSCYPY-UHFFFAOYSA-M
norman_susdat_id: NS00048928
pubchem_cid: 11348297
smiles: [Na+].O=S(=O)([O-])OC(CCC(CC)CC)CCC(CC)CCCC
inchi:
InChI=1/C17H36O4S.Na/c1-5-9-10-16(8-4)12-14-17(21-22(18,19)20)13-11-15(6-2)7-3;/h15-17H,5-14H2,1-4H3,(H,18,19,20);/q;+1/p-1


name: 4,4'-cyclohexylidenedianiline
cas: 3282-99-3
dtxsid: DTXSID00954478
formula: C18H22N2
inchikey: ZSQIQUAKDNTQOI-UHFFFAOYSA-N
norman_susdat_id: NS00048929
pubchem_cid: 768325
smiles: NC1=CC=C(C=C1)C2(C3=CC=C(N)C=C3)CCCCC2
inchi:
InChI=1/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2


cas: 328232-95-7
formula: C22H19FN4O3
inchikey: RMYZIRFUCOMQRH-UHFFFAOYSA-N
norman_susdat_id: NS00072599
pubchem_cid: 11491176
smiles: O=C1OC2(CCC(C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21
name:
N-[1-(2-fluorophenyl)-1h-pyrazol-3-yl]-1'-oxo-1'h-spiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-4-carboxamide

inchi:
InChI=1S/C22H19FN4O3/c23-17-3-1-2-4-18(17)27-12-8-19(26-27)25-20(28)14-5-9-22(10-6-14)16-13-24-11-7-15(16)21(29)30-22/h1-4,7-8,11-14H,5-6,9-10H2,(H,25,26,28)


name: Picotamide
cas: 32828-81-2
chebiid: CHEBI:93175
chemspiderid: 4649
dtxsid: DTXSID40186498
formula: C21H20N4O3
inchikey: KYWCWBXGRWWINE-UHFFFAOYSA-N
norman_susdat_id: NS00029358
pubchem_cid: 4814
smiles: COc1c(cc(cc1)C(=O)NCc1cccnc1)C(=O)NCc1cccnc1
inchi:
InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)


name: Tetrasodium 4,4'-bis[[p-[(p-sulphonatophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonate
cas: 32829-81-5
dtxsid: DTXSID4067723
formula: C38H28N8O12S4
inchikey: NASIMPHPKIXGNK-FMRNPKMESA-J
norman_susdat_id: NS00056359
pubchem_cid: 6438076
inchi:
InChI=1/C38H28N8O12S4.4Na/c47-59(48,49)35-19-15-31(16-20-35)41-39-27-7-11-29(12-8-27)43-45-33-5-3-25(37(23-33)61(53,54)55)1-2-26-4-6-34(24-38(26)62(56,57)58)46-44-30-13-9-28(10-14-30)40-42-32-17-21-36(22-18-32)60(50,51)52;;;;/h1-24H,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=CC=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C=C5)C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C=C2)C=C1


name: CHOLESTERYL DICHLOR- OBENZOATE
cas: 32832-01-2
chemspiderid: 3438645
formula: C34H48Cl2O2
inchikey: NZZFKZMKJPWVDL-UHFFFAOYSA-N
norman_susdat_id: NS00013458
pubchem_cid: 4229689
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)c5ccc(Cl)cc5Cl
inchi:
InChI=1S/C34H48Cl2O2/c1-21(2)7-6-8-22(3)28-13-14-29-26-11-9-23-19-25(38-32(37)27-12-10-24(35)20-31(27)36)15-17-33(23,4)30(26)16-18-34(28,29)5/h9-10,12,20-22,25-26,28-30H,6-8,11,13-19H2,1-5H3/t22-,25+,26+,28-,29+,30?,33+,34-/m1/s1


name: 3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzoxazolium iodide
cas: 32835-25-9
formula: C21H21N2OSe.I
inchikey: XKZCMTRWRGTBAH-UHFFFAOYSA-M
norman_susdat_id: NS00088307
smiles: [I-].CC[n+]3c4ccccc4oc3C=CC=C2[Se]c1ccccc1N2CC
inchi:
InChI=1/C21H21N2OSe.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: 3-allyl-2-[3-[3-allylbenzothiazol-2(3H)-ylidene]prop-1-enyl]benzothiazolium bromide
cas: 32835-27-1
dtxsid: DTXSID70954485
formula: C23H21N2S2
inchikey: YAGAKRLBKZLCNW-UHFFFAOYSA-M
norman_susdat_id: NS00055012
pubchem_cid: NA
smiles: [Br-].S1C=2C=CC=CC2N(C1=CC=CC=3SC=4C=CC=CC4[N+]3CC=C)CC=C
inchi:
InChI=1/C23H21N2S2.BrH/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h3-15H,1-2,16-17H2;1H/q+1;/p-1


name: 3-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]benzothiazolium iodide
cas: 32835-32-8
formula: C21H21N2SSe.I
inchikey: XQBWIWSPKBQVAW-UHFFFAOYSA-M
norman_susdat_id: NS00088308
smiles: [I-].CC[n+]3c4ccccc4sc3C=CC=C2[Se]c1ccccc1N2CC
inchi:
InChI=1/C21H21N2SSe.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


cas: 328389-91-9
dtxsid: DTXSID10882672
norman_susdat_id: NS00109255
name:
Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, polymers with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and reduced Me esters of reduced polymd. oxidized tetrafluoroethylene, compds. with triethylamine


name: HMR1171
cas: 328392-46-7
chemspiderid: 8070703
dtxsid: DTXSID6047367
formula: C35H48N4O3S1
inchikey: AUEUBSJNKBZSKK-UHFFFAOYSA-N
norman_susdat_id: NS00015622
pubchem_cid: 9895035
smiles: CCN(CC)C(=O)C1=CC(=C(C=C1N(CC)CCN(C)C)N2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4
inchi:
InChI=1S/C35H48N4O3S/c1-6-37(7-2)35(40)31-25-34(43(41,42)27-28-15-11-9-12-16-28)33(26-32(31)38(8-3)24-23-36(4)5)39-21-19-30(20-22-39)29-17-13-10-14-18-29/h9-18,25-26,30H,6-8,19-24,27H2,1-5H3


name: Hexaphenylcyclodisilazane
cas: 3284-07-9
dtxsid: DTXSID7062952
formula: C36H30N2Si2
inchikey: IJPHOLADYXPUAZ-UHFFFAOYSA-N
norman_susdat_id: NS00048930
pubchem_cid: 76778
smiles: C=1C=CC(=CC1)N2[Si](C=3C=CC=CC3)(C=4C=CC=CC4)N(C=5C=CC=CC5)[Si]2(C=6C=CC=CC6)C=7C=CC=CC7
inchi:
InChI=1/C36H30N2Si2/c1-7-19-31(20-8-1)37-39(33-23-11-3-12-24-33,34-25-13-4-14-26-34)38(32-21-9-2-10-22-32)40(37,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H


cas: 32846-21-2
dtxsid: DTXSID20893532
formula: C23H26N4O6S2
inchikey: AIUGTYAOGJJSTN-UHFFFAOYSA-M
norman_susdat_id: NS00056360
pubchem_cid: 161759
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)N(C)C4CCCCC4)=C1
name:
Sodium 6-amino-5-[[2-[(cyclohexylmethylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C23H26N4O6S2.Na/c1-27(16-7-3-2-4-8-16)34(29,30)21-10-6-5-9-19(21)25-26-23-18(24)12-11-15-13-17(35(31,32)33)14-20(28)22(15)23;/h5-6,9-14,16,28H,2-4,7-8,24H2,1H3,(H,31,32,33);/q;+1/p-1


name: 3ß-hydroxypregna-5,16-dien-20-one 3-propionate
cas: 3285-87-8
dtxsid: DTXSID80954496
formula: C24H34O3
inchikey: HGXGILYYMJORSA-GBOSRWDWSA-N
norman_susdat_id: NS00048998
pubchem_cid: 102389
smiles: O=C(OC1CC2=CCC3C4CC=C(C(=O)C)C4(C)CCC3C2(C)CC1)CC
inchi:
InChI=1/C24H34O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h6,8,17-18,20-21H,5,7,9-14H2,1-4H3


name: Cyclohexanaminium perfluorononanoate
cas: 328531-06-2
dtxsid: DTXSID80896983
formula: C15H14F17NO2
inchikey: FPJAZQADPBIOPJ-UHFFFAOYSA-N
norman_susdat_id: NS00111854
smiles: [NH3+]C1CCCCC1.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2.C6H13N/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;7-6-4-2-1-3-5-6/h(H,27,28);6H,1-5,7H2


name: Lappaconitine
cas: 32854-75-4
chebiid: CHEBI:6378
chemspiderid: 441743
formula: C32H44N2O8
inchikey: NWBWCXBPKTTZNQ-BAERZWJTSA-N
norman_susdat_id: NS00094349
pubchem_cid: 390345
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C


name: Bisibutiamine
cas: 3286-46-2
chemspiderid: 16736830
dtxsid: DTXSID5046641
formula: C32H46N8O6S2
inchikey: CKHJPWQVLKHBIH-ZDSKVHJSSA-N
norman_susdat_id: NS00029369
pubchem_cid: 20055424
smiles: CC(C)C(=O)OCC/C(=C(/C)N(Cc1cnc(C)nc1N)C=O)/SS/C(=C(C)/N(Cc1c(N)nc(C)nc1)C=O)/CCOC(=O)C(C)C
inchi:
InChI=1S/C32H46N8O6S2/c1-19(2)31(43)45-11-9-27(21(5)39(17-41)15-25-13-35-23(7)37-29(25)33)47-48-28(10-12-46-32(44)20(3)4)22(6)40(18-42)16-26-14-36-24(8)38-30(26)34/h13-14,17-20H,9-12,15-16H2,1-8H3,(H2,33,35,37)(H2,34,36,38)/b27-21+,28-22+


name: Phenol, 2,4-bis(1,1-dimethylethyl)-6-(phenylmethyl)-
cas: 3286-98-4
dtxsid: DTXSID2062953
formula: C21H28O
inchikey: DALXAKMWLANGNT-UHFFFAOYSA-N
norman_susdat_id: NS00066892
smiles: CC(C)(C)C1=CC(=C(O)C(CC2=CC=CC=C2)=C1)C(C)(C)C
inchi:
InChI=1S/C21H28O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)19(22)18(14-17)21(4,5)6/h7-11,13-14,22H,12H2,1-6H3


name: O-a-D-glucopyranosyl-(1<U+2192>4)-O-a-D-glucopyranosyl-(1<U+2192>4)-D-glucitol
cas: 32860-62-1
dtxsid: DTXSID80954517
formula: C18H34O16
inchikey: GWDSXPQBYYRTLO-UHFFFAOYSA-N
norman_susdat_id: NS00055014
pubchem_cid: NA
smiles: OCC(O)C(O)C(O)C(O)COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
inchi:
InChI=1/C18H34O16/c19-1-5(22)9(24)10(25)6(23)4-31-17-15(30)13(28)16(8(3-21)33-17)34-18-14(29)12(27)11(26)7(2-20)32-18/h5-30H,1-4H2


name: 1-amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt
cas: 32866-11-8
formula: C20H15N3O8S2.xNa
inchikey: GUCIZQSDEMEOAP-UHFFFAOYSA-L
norman_susdat_id: NS00087650
smiles: Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O[Na])cc1S(=O)(=O)O[Na]
inchi:
InChI=1/C20H15N3O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/rC20H13N3Na2O8S2/c21-12-6-5-9(7-14(12)34(28,29)32-24)23-13-8-15(35(30,31)33-25)18(22)17-16(13)19(26)10-3-1-2-4-11(10)20(17)27/h1-8,23H,21-22H2


name: Diammonium 4,4'-bis[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 32866-17-4
formula: C32H28N12O6S2.2H3N
inchikey: VAASJNREHNKXBF-YHPRVSEPSA-N
norman_susdat_id: NS00087850
inchi:
InChI=1/C32H28N12O6S2.2H3N/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);2*1H3

smiles:
[NH4+].[NH4+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


name: Decyl diphenyl phosphite
cas: 3287-06-7
chemspiderid: 56273
dtxsid: DTXSID7062954
formula: C22H31O3P1
inchikey: GLOQRSIADGSLRX-UHFFFAOYSA-N
norman_susdat_id: NS00020079
pubchem_cid: 62494
smiles: CCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C22H31O3P/c1-2-3-4-5-6-7-8-15-20-23-26(24-21-16-11-9-12-17-21)25-22-18-13-10-14-19-22/h9-14,16-19H,2-8,15,20H2,1H3


name: Dihexadecyl 3,3'-thiobispropionate
cas: 3287-12-5
dtxsid: DTXSID7062956
formula: C38H74O4S
inchikey: IXDBUVCZCLQKJF-UHFFFAOYSA-N
norman_susdat_id: NS00048921
pubchem_cid: 76783
smiles: O=C(OCCCCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H74O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-41-37(39)31-35-43-36-32-38(40)42-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: 9,10-Anthracenedione, 1-amino-2-[[6-[(2-aminobenzoyl)oxy]hexyl]oxy]-4-hydroxy-
cas: 32873-14-6
chemspiderid: 105775
dtxsid: DTXSID3067730
formula: C27H26N2O6
inchikey: LNGCJIMMQCMQFL-UHFFFAOYSA-N
norman_susdat_id: NS00029372
pubchem_cid: 118349
smiles: Nc1ccccc1C(=O)OCCCCCCOc1c(N)c2c(c(O)c1)C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C27H26N2O6/c28-19-12-6-5-11-18(19)27(33)35-14-8-2-1-7-13-34-21-15-20(30)22-23(24(21)29)26(32)17-10-4-3-9-16(17)25(22)31/h3-6,9-12,15,30H,1-2,7-8,13-14,28-29H2


name: Pivmecillinam
cas: 32886-97-8
chemspiderid: 21258050
dtxsid: DTXSID7048538
formula: C21H33N3O5S1
inchikey: NPGNOVNWUSPMDP-XZDBBAETSA-N
norman_susdat_id: NS00001967
pubchem_cid: 36272
smiles: CC(C)(C)C(=O)OCOC(=O)C1N2[C@H](SC1(C)C)[C@H](N=CN1CCCCCC1)C2=O
inchi:
InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/t14-,15?,17-/m1/s1


name: Amdinocillin
cas: 32887-01-7
chebiid: CHEBI:51208
chemspiderid: 10482146
dtxsid: DTXSID3022584
formula: C15H23N3O3S1
inchikey: BWWVAEOLVKTZFQ-NTZNESFSSA-N
norman_susdat_id: NS00011614
pubchem_cid: 40467053
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C
inchi:
InChI=1S/C15H23N3O3S/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17/h9-11,13H,3-8H2,1-2H3,(H,20,21)/t10-,11+,13-/m1/s1


cas: 32887-08-4
formula: C15H23N3O3S.ClH
inchikey: NJFHBXJMXCUBBY-GYBQEXSMSA-N
norman_susdat_id: NS00087851
smiles: Cl.O=C(O)[C@@H]2N3C(=O)[C@@H](N=CN1CCCCCC1)[C@H]3SC2(C)C
name:
[2S-(2a,5a,6ß)]-6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid monohydrochloride

inchi:
InChI=1/C15H23N3O3S.ClH/c1-15(2)11(14(20)21)18-12(19)10(13(18)22-15)16-9-17-7-5-3-4-6-8-17;/h9-11,13H,3-8H2,1-2H3,(H,20,21);1H


name: Procyazine
cas: 32889-48-8
chemspiderid: 14843867
dtxsid: DTXSID1034844
formula: C10H13Cl1N6
inchikey: WUZNHSBFPPFULJ-UHFFFAOYSA-N
norman_susdat_id: NS00015464
pubchem_cid: 36274
smiles: CC(C)(C#N)NC1=NC(=NC(=N1)NC2CC2)Cl
inchi:
InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17)


name: Tildipirosin
cas: 328898-40-4
chemspiderid: 30790722
formula: C41H71N3O8
inchikey: HNDXPZPJZGTJLJ-UEJFNEDBSA-N
norman_susdat_id: NS00017464
pubchem_cid: 24860548
smiles: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CCCCC3)C)C)CN4CCCCC4
inchi:
InChI=1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/m1/s1


name: 5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-dicarboxamide
cas: 32892-89-0
formula: C22H14N4O4
inchikey: ATZRWFMBPNCDIO-UHFFFAOYSA-N
norman_susdat_id: NS00055404
pubchem_cid: 118351
smiles: O=C(N)C1=CC=C2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C3C(=O)C2=C1)C(=O)N
inchi:
InChI=1/C22H14N4O4/c23-21(29)9-1-3-15-11(5-9)19(27)13-8-18-14(7-17(13)25-15)20(28)12-6-10(22(24)30)2-4-16(12)26-18/h1-8H,(H2,23,29)(H2,24,30)(H,25,27)(H,26,28)


name: LGD-2226
cas: 328947-93-9
dtxsid: DTXSID10186546
formula: C14H9F9N2O
inchikey: ULBPQWIGZUGPHU-UHFFFAOYSA-N
norman_susdat_id: NS00071226
pubchem_cid: 11560224
smiles: O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1
inchi:
InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)


name: Trimethylolpropane trimethacrylate
cas: 3290-92-4
chebiid: CHEBI:35029
chemspiderid: 17649
dtxsid: DTXSID3027530
formula: C18H26O6
inchikey: OKKRPWIIYQTPQF-UHFFFAOYSA-N
norman_susdat_id: NS00010099
pubchem_cid: 18689
smiles: CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C
inchi:
InChI=1S/C18H26O6/c1-8-18(9-22-15(19)12(2)3,10-23-16(20)13(4)5)11-24-17(21)14(6)7/h2,4,6,8-11H2,1,3,5,7H3


name: withanolide A
cas: 32911-62-9
chebiid: CHEBI:175683
chemspiderid: 9469353
dtxsid: DTXSID70461487
formula: C28H38O6
inchikey: DXWHOKCXBGLTMQ-SFQAJKIESA-N
norman_susdat_id: NS00018019
pubchem_cid: 11294368
smiles: CC1=C(C(=O)OC(C1)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O)C
inchi:
InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1


name: 5,6-dichloro-3-[2-(diethylamino)ethyl]-1-ethyl-2-methylbenzimidazolium chloride monohydrochloride
cas: 32915-71-2
dtxsid: DTXSID50890817
formula: C16H24Cl2N3
inchikey: GBNSKCPVDPAKLN-UHFFFAOYSA-M
norman_susdat_id: NS00054579
pubchem_cid: 118357
smiles: [Cl-].Cl.ClC1=CC2=C(C=C1Cl)[N+](=C(N2CCN(CC)CC)C)CC
inchi:
InChI=1/C16H24Cl2N3.2ClH/c1-5-19(6-2)8-9-21-12(4)20(7-3)15-10-13(17)14(18)11-16(15)21;;/h10-11H,5-9H2,1-4H3;2*1H/q+1;;/p-1


name: 5-chloro-1-ethyl-2-methyl-3-(2-morpholinoethyl)benzimidazolium chloride monohydrochloride
cas: 32915-77-8
dtxsid: DTXSID10890818
formula: C16H23ClN3O
inchikey: JUEFYBNIGJLDAX-UHFFFAOYSA-M
norman_susdat_id: NS00055487
pubchem_cid: 118359
smiles: [Cl-].Cl.ClC=1C=CC2=C(C1)N(C(=[N+]2CC)C)CCN3CCOCC3
inchi:
InChI=1/C16H23ClN3O.2ClH/c1-3-19-13(2)20(7-6-18-8-10-21-11-9-18)16-12-14(17)4-5-15(16)19;;/h4-5,12H,3,6-11H2,1-2H3;2*1H/q+1;;/p-1


cas: 329201-80-1
dtxsid: DTXSID90897623
norman_susdat_id: NS00112224
name:
Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-, reaction products with ethylene glycol, α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene), glycidol and 2,4-TDI


name: 2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl] ethanol
cas: 329216-67-3
chemspiderid: 8982326
formula: C19H21N3O1S1
inchikey: OFLMIXVKBNAUIB-UHFFFAOYSA-N
norman_susdat_id: NS00004479
pubchem_cid: 10807021
smiles: OCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
inchi:
InChI=1S/C19H21N3OS/c23-14-13-21-9-11-22(12-10-21)19-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)20-19/h1-8,23H,9-14H2


name: 2-cyclopropaneamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
cas: 329221-38-7
formula: C13H16N2O2S
inchikey: VATFNEMGBRWLHI-UHFFFAOYSA-N
norman_susdat_id: NS00068183
pubchem_cid: 673481
smiles: NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
inchi:
InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)


name: Phenol, 2,2'-thiobis[4-(1,1,3,3-tetramethylbutyl)-
cas: 3294-03-9
chemspiderid: 69254
dtxsid: DTXSID1062962
formula: C28H42O2S1
inchikey: WQYFETFRIRDUPJ-UHFFFAOYSA-N
norman_susdat_id: NS00004864
pubchem_cid: 76798
smiles: CC(C)(C)CC(C)(C)c1ccc(O)c(Sc2cc(ccc2O)C(C)(C)CC(C)(C)C)c1
inchi:
InChI=1S/C28H42O2S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3


name: (bromodichloromethyl)phenylmercury
cas: 3294-58-4
formula: C7H5BrCl2Hg
inchikey: RGANFHLXCJSHAV-UHFFFAOYSA-N
norman_susdat_id: NS00083412
smiles: ClC(Cl)(Br)[Hg]c1ccccc1
inchi:
InChI=1/C6H5.CBrCl2.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;;/rC7H5BrCl2Hg/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H


name: Diethyl [[N-ethyl-3,4-(methylenedioxy)anilino]methylene]malonate
cas: 32953-23-4
dtxsid: DTXSID20954591
formula: C17H21NO6
inchikey: YGKGQIJMMJYNSM-UHFFFAOYSA-N
norman_susdat_id: NS00060246
pubchem_cid: 21119770
smiles: O=C(OCC)C(=CN(C1=CC=C2C(OOC2)=C1)CC)C(=O)OCC
inchi:
InChI=1/C17H21NO6/c1-4-18(13-8-7-12-11-23-24-15(12)9-13)10-14(16(19)21-5-2)17(20)22-6-3/h7-10H,4-6,11H2,1-3H3


name: 9-Octadecenoic acid (9Z)-, octyl ester
cas: 32953-65-4
chemspiderid: 85228
dtxsid: DTXSID8067733
formula: C26H50O2
inchikey: QTDSLDJPJJBBLE-UHFFFAOYSA-N
norman_susdat_id: NS00020639
pubchem_cid: 94441
smiles: CCCCCCCCOC(=O)CCCCCCC/C=CCCCCCCCC
inchi:
InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h14-15H,3-13,16-25H2,1-2H3/b15-14-


name: Rimiterol
cas: 32953-89-2
chemspiderid: 33366
dtxsid: DTXSID70186603
formula: C12H17N1O3
inchikey: IYMMESGOJVNCKV-SKDRFNHKSA-N
norman_susdat_id: NS00029393
pubchem_cid: 36283
smiles: O[C@H]([C@H]1CCCCN1)c1cc(O)c(O)cc1
inchi:
InChI=1S/C12H17NO3/c14-10-5-4-8(7-11(10)15)12(16)9-3-1-2-6-13-9/h4-5,7,9,12-16H,1-3,6H2/t9-,12+/m1/s1


name: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxohexadecyl)amino]-, inner salt
cas: 32954-43-1
chemspiderid: 65082
dtxsid: DTXSID3067734
formula: C23H47N2O3
inchikey: OTKWLUKIHNEGIG-UHFFFAOYSA-O
norman_susdat_id: NS00013931
pubchem_cid: 72097
smiles: CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C23H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(26)24-19-17-20-25(2,3)21-23(27)28/h4-21H2,1-3H3,(H-,24,26,27,28)


cas: 32976-86-6
dtxsid: DTXSID80954613
formula: C31H42Cl2FN5O5
inchikey: MCGIGMPPRWHWAP-UHFFFAOYSA-N
norman_susdat_id: NS00058812
pubchem_cid: 118020
smiles: O=C(OCC)C(NC(=O)C(NC(=O)CNC(=O)C(N)CC1=CC=C(F)C=C1)CC=2C=CC=C(C2)N(CCCl)CCCl)CCC
name:
Ethyl N-[3-[bis(2-chloroethyl)amino]-N-[N-(4-fluoro-3-phenyl-L-alanyl)glycyl]-3-phenyl-L-alanyl]-L-norvalinate

inchi:
InChI=1/C31H42Cl2FN5O5/c1-3-6-26(31(43)44-4-2)38-30(42)27(19-22-7-5-8-24(17-22)39(15-13-32)16-14-33)37-28(40)20-36-29(41)25(35)18-21-9-11-23(34)12-10-21/h5,7-12,17,25-27H,3-4,6,13-16,18-20,35H2,1-2H3,(H,36,41)(H,37,40)(H,38,42)


name: Nicotinic acid, compound with a-[(butylamino)methyl]-p-hydroxybenzyl alcohol
cas: 32981-34-3
formula: C12H19NO2.C6H5NO2
inchikey: LAXWZPSLEWFPNP-UHFFFAOYSA-N
norman_susdat_id: NS00089743
smiles: CCCCNCC(O)c1ccc(O)cc1.OC(=O)c2cccnc2
inchi:
InChI=1/C12H19NO2.C6H5NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;8-6(9)5-2-1-3-7-4-5/h4-7,12-15H,2-3,8-9H2,1H3;1-4H,(H,8,9)


name: Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphaR,betaS)-
cas: 32981-85-4
chemspiderid: 158386
dtxsid: DTXSID80186619
formula: C17H17N1O4
inchikey: UYJLJICUXJPKTB-LSDHHAIUSA-N
norman_susdat_id: NS00029398
pubchem_cid: 182104
smiles: COC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1


name: 10-Deacetylbaccatin III
cas: 32981-86-5
chebiid: CHEBI:18193
chemspiderid: 135935
formula: C29H36O10
inchikey: YWLXLRUDGLRYDR-ZHPRIASZSA-N
norman_susdat_id: NS00098515
pubchem_cid: 154272
inchi:
InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1

smiles:
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O


name: Magnesium bis(tetraethoxyaluminate)
cas: 32982-66-4
formula: C8H20AlO4.1/2Mg
inchikey: RBJUOTMGIYMRKO-UHFFFAOYSA-N
norman_susdat_id: NS00089516
smiles: [Mg+2].CCO[Al-](OCC)(OCC)OCC.CCO[Al-](OCC)(OCC)OCC
inchi:
InChI=1/8C2H5O.2Al.Mg/c8*1-2-3;;;/h8*2H2,1H3;;;/q8*-1;2*+3;+2/r2C8H20AlO4.Mg/c2*1-5-10-9(11-6-2,12-7-3)13-8-4;/h2*5-8H2,1-4H3;/q2*-1;+2


name: Tobramycin
cas: 32986-56-4
chebiid: CHEBI:28864
chemspiderid: 33377
dtxsid: DTXSID8023680
formula: C18H37N5O9
inchikey: NLVFBUXFDBBNBW-PBSUHMDJSA-N
norman_susdat_id: NS00003131
pubchem_cid: 36294
inchi:
InChI=1S/C18H37N5O9/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18/h5-18,24-28H,1-4,19-23H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1

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


name: Viomycin
cas: 32988-50-4
chebiid: CHEBI:15782
chemspiderid: 2301596
dtxsid: DTXSID0023741
formula: C25H43N13O10
inchikey: GXFAIFRPOKBQRV-GHXCTMGLSA-N
norman_susdat_id: NS00009744
pubchem_cid: 3037981
inchi:
InChI=1S/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)38-20(44)13(7-31-25(29)48)33-21(45)14(8-39)35-22(46)15(9-40)34-19(12)43/h7,10-12,14-15,17-18,39-40,42H,1-6,8-9,26-27H2,(H,30,47)(H,32,41)(H,33,45)(H,34,43)(H,35,46)(H,38,44)(H3,28,36,37)(H3,29,31,48)/b13-7-/t10-,11+,12-,14-,15-,17-,18-/m0/s1

smiles:
NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@@H](NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)=CNC(N)=O)[C@H]1C[C@H](O)N=C(N)N1


name: 1,3-bis(4-nitrophenyl)urea--4,6-dimethylpyrimidin-2-ol (1:1)
cas: 330-95-0
chebiid: CHEBI:81725
formula: C13H10N4O5.C6H8N2O
inchikey: UKHWDRMMMYWSFL-UHFFFAOYSA-N
norman_susdat_id: NS00079489
smiles: Cc1cc(C)nc(O)n1.[O-][N+](=O)c2ccc(NC(=O)Nc3ccc(cc3)[N+](=O)[O-])cc2
inchi:
InChI=1/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)


name: 2'-deoxyuridine 3'-benzoate
cas: 33001-06-8
dtxsid: DTXSID30954623
formula: C16H16N2O6
inchikey: BAVPJAHZOFCPIE-OUCADQQQSA-N
norman_susdat_id: NS00060310
pubchem_cid: 21119731
smiles: O=C(OC1CC(OC1CO)N2C=CC(=O)NC2=O)C=3C=CC=CC3
inchi:
InChI=1/C16H16N2O6/c19-9-12-11(24-15(21)10-4-2-1-3-5-10)8-14(23-12)18-7-6-13(20)17-16(18)22/h1-7,11-12,14,19H,8-9H2,(H,17,20,22)


name: 2-[p-(dimethylamino)styryl]-1-methylpyridinium toluene-p-sulphonate
cas: 33006-24-5
formula: C16H19N2.C7H7O3S
inchikey: PYYQQLHMGIKUEM-UHFFFAOYSA-M
norman_susdat_id: NS00089746
smiles: CN(C)c1ccc(\C=C\c2cccc[n+]2C)cc1.Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C16H19N2.C7H8O3S/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-13H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 33006-61-0
dtxsid: DTXSID50885546
formula: C23H21N3O4S3
inchikey: VHIKFXFCFRHFNM-UHFFFAOYSA-N
norman_susdat_id: NS00060311
pubchem_cid: 118375
smiles: O=C(O)CN1C(=O)C(SC1=S)=C2SC(=CC=C3C=CC=4C=CC=CC4N3CC)C(=O)N2CC
name:
5-[3-ethyl-5-[(1-ethylquinolin-2(1H)-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C23H21N3O4S3/c1-3-24-15(10-9-14-7-5-6-8-16(14)24)11-12-17-20(29)25(4-2)22(32-17)19-21(30)26(13-18(27)28)23(31)33-19/h5-12H,3-4,13H2,1-2H3,(H,27,28)


cas: 33006-80-3
chemspiderid: 4942586
dtxsid: DTXSID7067740
formula: C21H17N3O6S4
inchikey: OIVXXGLSVHGVOJ-UHFFFAOYSA-N
norman_susdat_id: NS00029401
pubchem_cid: 118376
smiles: CCn1/c(=CC=c/2s/c(=C3/SC(=S)N(CC(=O)O)C3=O)/n(CC(=O)O)c2=O)/sc2ccccc12
name:
3-Thiazolidineacetic acid, 5-[3-(carboxymethyl)-5-[(3-ethyl-2(3H)-benzothiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]-4-oxo-2-thioxo-

inchi:
InChI=1S/C21H17N3O6S4/c1-2-22-11-5-3-4-6-12(11)32-14(22)8-7-13-18(29)23(9-15(25)26)20(33-13)17-19(30)24(10-16(27)28)21(31)34-17/h3-8H,2,9-10H2,1H3,(H,25,26)(H,27,28)/b13-7+,14-8+,20-17+


name: 2,2'-(Thiobis(methylene))bis-1H-benzimidazole
cas: 33007-61-3
chemspiderid: 105801
dtxsid: DTXSID20186638
formula: C16H14N4S1
inchikey: PLROPLMRAPJFHZ-UHFFFAOYSA-N
norman_susdat_id: NS00029402
pubchem_cid: 118378
smiles: C(SCc1nc2c([nH]1)cccc2)c1nc2ccccc2[nH]1
inchi:
InChI=1S/C16H14N4S/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16/h1-8H,9-10H2,(H,17,18)(H,19,20)


name: 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate
cas: 33007-83-9
chemspiderid: 105802
dtxsid: DTXSID8044919
formula: C15H26O6S3
inchikey: IMQFZQVZKBIPCQ-UHFFFAOYSA-N
norman_susdat_id: NS00019809
pubchem_cid: 118379
smiles: CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
inchi:
InChI=1S/C15H26O6S3/c1-2-15(9-19-12(16)3-6-22,10-20-13(17)4-7-23)11-21-14(18)5-8-24/h22-24H,2-11H2,1H3


name: N-[1-(2,4-Dichloro-6-methoxylphenl)-4,5-dihydro-5-oxo-1H-pyrazol-3yl]-N'-(4-laurylphenyl)urea
cas: 33008-68-3
chemspiderid: 105805
dtxsid: DTXSID2067741
formula: C29H38Cl2N4O3
inchikey: QKNRRHFGTUTFFW-UHFFFAOYSA-N
norman_susdat_id: NS00029405
pubchem_cid: 118382
smiles: CCCCCCCCCCCCc1ccc(NC(=O)NC2=NN(C(=O)C2)c2c(OC)cc(Cl)cc2Cl)cc1
inchi:
InChI=1S/C29H38Cl2N4O3/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-23(17-15-21)32-29(37)33-26-20-27(36)35(34-26)28-24(31)18-22(30)19-25(28)38-2/h14-19H,3-13,20H2,1-2H3,(H2,32,33,34,37)


name: Butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 330154-39-7
dtxsid: DTXSID40896520
formula: C13H9F17O4
inchikey: TYVNTBOMXDFSAY-UHFFFAOYSA-N
norman_susdat_id: NS00110461
smiles: CCC(C)OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C13H9F17O4/c1-3-4(2)32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h4H,3H2,1-2H3


cas: 330161-87-0
formula: C19H21N3O3S
inchikey: LOGJQOUIVKBFGH-YBEGLDIGSA-N
norman_susdat_id: NS00069541
pubchem_cid: 5312137
smiles: CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2
name:
N,n-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1h-indol-2-ylmethylidene)-2,3-dihydro-1h-indole-5-sulfonamide

inchi:
InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-


name: 12-(ACETOXY)STEARICACID,2,3-BIS(ACETOXY)PROPYLESTER
cas: 330198-91-9
dtxsid: DTXSID10274033
formula: C27H48O8
inchikey: YOFNHFCYYYNJPN-UHFFFAOYSA-N
norman_susdat_id: NS00113149
smiles: CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O
inchi:
InChI=1/C27H48O8/c1-5-6-7-14-17-25(34-23(3)29)18-15-12-10-8-9-11-13-16-19-27(31)33-21-26(35-24(4)30)20-32-22(2)28/h25-26H,5-21H2,1-4H3


name: 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic] acid
cas: 33025-12-6
formula: C35H28N6O15S4
inchikey: SWVFFYFFEMGNNS-UHFFFAOYSA-N
norman_susdat_id: NS00089761
inchi:
InChI=1/C35H28N6O15S4/c1-17-11-23(57(45,46)47)5-9-27(17)38-40-31-29(59(51,52)53)15-19-13-21(3-7-25(19)33(31)42)36-35(44)37-22-4-8-26-20(14-22)16-30(60(54,55)56)32(34(26)43)41-39-28-10-6-24(12-18(28)2)58(48,49)50/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)

smiles:
OS(=O)(=O)c6ccc(N=Nc2c(cc1cc(ccc1c2O)NC(=O)Nc3ccc5c(c3)cc(c(N=Nc4ccc(cc4C)S(O)(=O)=O)c5O)S(O)(=O)=O)S(O)(=O)=O)c(C)c6


cas: 33025-13-7
formula: C51H36Cl2N20O25S6
inchikey: KIIUSJQRKVTZQN-UHFFFAOYSA-N
norman_susdat_id: NS00066766
pubchem_cid: NA
name:
4,4'-[carbonylbis[imino(3-sulpho-p-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-m-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic] acid

inchi:
InChI=1/C51H36Cl2N20O25S6/c52-45-60-47(64-49(62-45)58-31-17-23(3-15-33(31)101(87,88)89)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)56-29-13-1-21(19-35(29)103(93,94)95)54-51(80)55-22-2-14-30(36(20-22)104(96,97)98)57-48-61-46(53)63-50(65-48)59-32-18-24(4-16-34(32)102(90,91)92)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86/h1-20,37-38H,(H,76,77)(H,78,79)(H2,54,55,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,56,58,60,62,64)(H2,57,59,61,63,65)

smiles:
O=C(O)C1=NN(C(=O)C1N=NC2=CC=C(C(=C2)NC=3N=C(Cl)N=C(N3)NC4=CC=C(C=C4S(=O)(=O)O)NC(=O)NC5=CC=C(NC6=NC(Cl)=NC(=N6)NC7=CC(N=NC8C(=O)N(N=C8C(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)=CC=C7S(=O)(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O)C%10=CC=C(C=C%10)S(=O)(=O)O


name: Cytidine, cytidylyl-(3'<U+2192>5')-, mono(hydrogen phosphonate) (ester)
cas: 33028-06-7
formula: C18H26N6O14P2
inchikey: RNUCUEKDNBAOGR-UHFFFAOYSA-N
norman_susdat_id: NS00058869
pubchem_cid: NA
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3N4C=CC(=NC4=O)N)CO)C(O)C2OP(=O)O
inchi:
InChI=1/C18H26N6O14P2/c19-9-1-3-23(17(28)21-9)15-13(37-39(30)31)12(27)8(36-15)6-34-40(32,33)38-14-11(26)7(5-25)35-16(14)24-4-2-10(20)22-18(24)29/h1-4,7-8,11-16,25-27,39H,5-6H2,(H,30,31)(H,32,33)(H2,19,21,28)(H2,20,22,29)


name: N-L-Leucyl-L-leucine
cas: 3303-31-9
chebiid: CHEBI:73531
chemspiderid: 69263
dtxsid: DTXSID00186696
formula: C12H24N2O3
inchikey: LCPYQJIKPJDLLB-UWVGGRQHSA-N
norman_susdat_id: NS00029406
pubchem_cid: 76807
smiles: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)O
inchi:
InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t9-,10-/m1/s1


name: Methapyrilene fumarate
cas: 33032-12-1
formula: C14H19N3S.3/2C4H4O4
inchikey: GYIUBPDECOMZDC-WLHGVMLRSA-N
norman_susdat_id: NS00089747
smiles: CN(C)CCN(Cc1cccs1)c2ccccn2.OC(=O)\C=C\C(=O)O
inchi:
InChI=1/C14H19N3S.C4H4O4/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;5-3(6)1-2-4(7)8/h3-8,11H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: 1-amino-4-hydroxy-2-[[1-(hydroxymethyl)-3-cyclohexen-1-yl]methoxy]anthraquinone
cas: 33034-09-2
dtxsid: DTXSID40954654
formula: C22H21NO5
inchikey: ZPOLNEJTJYBGAR-UHFFFAOYSA-N
norman_susdat_id: NS00060313
pubchem_cid: 118023
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OCC4(CO)CC=CCC4)=CC(O)=C13
inchi:
InChI=1/C22H21NO5/c23-19-16(28-12-22(11-24)8-4-1-5-9-22)10-15(25)17-18(19)21(27)14-7-3-2-6-13(14)20(17)26/h1-4,6-7,10,24-25H,5,8-9,11-12,23H2


name: 4-(p-dimethylaminophenyl)-2,6-diphenylthiopyrylium hexafluorophosphate
cas: 33034-18-3
dtxsid: DTXSID10885547
formula: C25H22NS
inchikey: RUQAOLSMSHPYDN-UHFFFAOYSA-N
norman_susdat_id: NS00058870
pubchem_cid: 118386
smiles: F[P-](F)(F)(F)(F)F.[S+]=1C(=CC(=CC1C=2C=CC=CC2)C=3C=CC(=CC3)N(C)C)C=4C=CC=CC4
inchi:
InChI=1/C25H22NS.F6P/c1-26(2)23-15-13-19(14-16-23)22-17-24(20-9-5-3-6-10-20)27-25(18-22)21-11-7-4-8-12-21;1-7(2,3,4,5)6/h3-18H,1-2H3;/q+1;-1


name: N5-benzyloxycarbonyl-L-ornithine
cas: 3304-51-6
dtxsid: DTXSID40954659
formula: C13H18N2O4
inchikey: VULSXQYFUHKBAN-NSHDSACASA-N
norman_susdat_id: NS00048947
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NCCCC(N)C(=O)O
inchi:
InChI=1/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)


name: 1-benzyl 2-(4-nitrophenyl) (S)-pyrrolidine-1,2-dicarboxylate
cas: 3304-59-4
dtxsid: DTXSID50954660
formula: C19H19N2O6
inchikey: GXUFIJVKXYWCAO-KRWDZBQOSA-N
norman_susdat_id: NS00048948
pubchem_cid: 10133728
smiles: O=C(OCC=1C=CC=CC1)N2CCCC2C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
inchi:
InChI=1/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2


cas: 33044-93-8
chebiid: CHEBI:8035
chemspiderid: 390657
dtxsid: DTXSID90186701
formula: C21H22O7
inchikey: YTLKDGZSNPIHNO-UXHICEINSA-N
norman_susdat_id: NS00094837
pubchem_cid: 442137
smiles: CC(=O)O[C@H]1[C@H](OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)C=C(C)C
name:
2-Butanoic acid, 3-methyl-, 1-(9-(acetyloxy)-8,9-dihydro-2-oxo-2H-furo(2,3-h)-1-benzopyran-8-yl)-1-methylethyl ester, (8S-cis)-

inchi:
InChI=1S/C21H22O7/c1-11(2)10-16(24)28-21(4,5)20-19(25-12(3)22)17-14(26-20)8-6-13-7-9-15(23)27-18(13)17/h6-10,19-20H,1-5H3/t19-,20+/m1/s1


name: TRIOLEYL PHOSPHATE
cas: 3305-68-8
chemspiderid: 4941341
formula: C54H105O4P1
inchikey: SVETUDAIEHYIKZ-IUPFWZBJSA-N
norman_susdat_id: NS00014186
pubchem_cid: 6436723
smiles: CCCCCCCCC=C/CCCCCCCCO[P](=O)(OCCCCCCCCC=C/CCCCCCCC)OCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C54H105O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-56-59(55,57-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-


name: N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoyl)-L-alanine
cas: 330548-64-6
dtxsid: DTXSID90896131
formula: C12H6F17NO3
inchikey: JPRMXDQLEYNVJM-REOHCLBHSA-N
norman_susdat_id: NS00112142
smiles: C[C@H](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)C(O)=O
inchi:
InChI=1S/C12H6F17NO3/c1-2(3(31)32)30-4(33)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/h2H,1H3,(H,30,33)(H,31,32)/t2-/m0/s1


name: Perfluoro-3,6,9-trioxatridecanoic acid
cas: 330562-41-9
chemspiderid: 2041076
dtxsid: DTXSID50375114
formula: C10H1F19O5
inchikey: GDQLSTSWOFAQNO-UHFFFAOYSA-N
norman_susdat_id: NS00018940
pubchem_cid: 2760333
smiles: OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)


name: Methyl perfluoro-3,6,9-trioxatridecanoate
cas: 330562-42-0
dtxsid: DTXSID60377684
formula: C11H3F19O5
inchikey: FMEDKXCQTKWGKE-UHFFFAOYSA-N
norman_susdat_id: NS00110872
smiles: COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H3F19O5/c1-32-2(31)3(12,13)33-8(23,24)9(25,26)35-11(29,30)10(27,28)34-7(21,22)5(16,17)4(14,15)6(18,19)20/h1H3


cas: 330562-45-3
dtxsid: DTXSID90375113
formula: C6BrF13O3
inchi: InChI=1S/C6BrF13O3/c7-5(16,17)22-3(12,13)1(8,9)21-2(10,11)4(14,15)23-6(18,19)20
inchikey: JPQGQPTZDXLRAY-UHFFFAOYSA-N
norman_susdat_id: NS00111906
smiles: FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br
name:
1-[Bromo(difluoro)methoxy]-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane


name: 1-Bromoperfluoro-2,5,8-trioxadodecane
cas: 330562-47-5
dtxsid: DTXSID30375112
formula: C9BrF19O3
inchikey: IKLGPUSJUIHNMO-UHFFFAOYSA-N
norman_susdat_id: NS00109851
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br
inchi:
InChI=1S/C9BrF19O3/c10-9(28,29)32-8(26,27)7(24,25)31-6(22,23)5(20,21)30-4(18,19)2(13,14)1(11,12)3(15,16)17


name: 2-hydroxy-4-(isooctoxy)benzophenone
cas: 33059-05-1
dtxsid: DTXSID3052014
formula: C21H26O3
inchikey: HLVLKTYUBIGFFB-UHFFFAOYSA-N
norman_susdat_id: NS00059335
pubchem_cid: 118393
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCCCCCC(C)C)C=C2O
inchi:
InChI=1/C21H26O3/c1-16(2)9-5-4-8-14-24-18-12-13-19(20(22)15-18)21(23)17-10-6-3-7-11-17/h3,6-7,10-13,15-16,22H,4-5,8-9,14H2,1-2H3


cas: 3306-52-3
dtxsid: DTXSID00889372
formula: C20H16O6
inchikey: YEIGUXGHHKAURB-UHFFFAOYSA-N
norman_susdat_id: NS00048999
pubchem_cid: 624199
smiles: O=C1C=2OC=C3C(=O)C(OC)C(O)C(C4=CC=C5C(=O)CCC5=C14)(C23)C
name:
[1S-(1a,2a,11ba)]-1,7,8,11b-tetrahydro-1-hydroxy-2-methoxy-11b-methylcyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2H)-trione

inchi:
InChI=1/C20H16O6/c1-20-11-5-3-8-9(4-6-12(8)21)13(11)16(23)17-14(20)10(7-26-17)15(22)18(25-2)19(20)24/h3,5,7,18-19,24H,4,6H2,1-2H3


name: Sodium [3-(5-chloro-2-methoxyphenyl)-1-methyl-2-triazeno]acetate
cas: 33067-78-6
formula: C10H12ClN3O3.Na
inchikey: ZVWOMTCDGVHASH-UHFFFAOYSA-M
norman_susdat_id: NS00090239
smiles: COc1ccc(Cl)cc1N=NN(C)CC(=O)O[Na]
inchi:
InChI=1/C10H12ClN3O3.Na/c1-14(6-10(15)16)13-12-8-5-7(11)3-4-9(8)17-2;/h3-5H,6H2,1-2H3,(H,15,16);/q;+1/p-1


cas: 330678-54-1
dtxsid: DTXSID40882640
norman_susdat_id: NS00110290
name:
Poly[oxy(methyl-1,2-ethanediyl)], α-hydro-ω-hydroxy-, polymer with 1,3-diisocyanatomethylbenzene, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-propyl-1-octanesulfonamide- and polypropylene glycol mono-Bu ether-blocked


name: D-Mannose, 6-(dihydrogen phosphate), disodium salt
cas: 33068-18-7
formula: C6H13O9P.2Na
inchikey: CHIBNKGHYAQTQY-UHFFFAOYSA-L
norman_susdat_id: NS00090240
smiles: OC1OC(COP(=O)(O[Na])O[Na])C(O)C(O)C1O
inchi:
InChI=1/C6H13O9P.2Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2/rC6H11Na2O9P/c7-16-18(13,17-8)14-1-2-3(9)4(10)5(11)6(12)15-2/h2-6,9-12H,1H2


name: 2-Deoxy-Glucose-6-Phosphate
cas: 33068-19-8
formula: C6H13O8P
inchikey: UQJFZAAGZAYVKZ-KAZBKCHUSA-N
norman_susdat_id: NS00069800
pubchem_cid: 46936435
smiles: O=P(O)(O)OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1


name: Paclitaxel
cas: 33069-62-4
chemspiderid: 21111681
dtxsid: DTXSID9023413
formula: C47H51N1O14
inchikey: RCINICONZNJXQF-VAZQATRQSA-N
norman_susdat_id: NS00003967
pubchem_cid: 441276
inchi:
InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1

smiles:
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1


name: Phenol, 2,6-dioctyl-
cas: 3307-31-1
chemspiderid: 69268
dtxsid: DTXSID6062967
formula: C22H38O1
inchikey: MYOXWOWYELCAJM-UHFFFAOYSA-N
norman_susdat_id: NS00029414
pubchem_cid: 76812
smiles: CCCCCCCCc1cccc(CCCCCCCC)c1O
inchi:
InChI=1S/C22H38O/c1-3-5-7-9-11-13-16-20-18-15-19-21(22(20)23)17-14-12-10-8-6-4-2/h15,18-19,23H,3-14,16-17H2,1-2H3


name: Avanafil
cas: 330784-47-9
chebiid: CHEBI:66876
chemspiderid: 8045620
dtxsid: DTXSID50186727
formula: C23H26Cl1N7O3
inchikey: WEAJZXNPAWBCOA-INIZCTEOSA-N
norman_susdat_id: NS00014947
pubchem_cid: 9869929
smiles: OC[C@@H]1CCCN1c1ncc(c(=NCc2ccc(c(c2)Cl)OC)[nH]1)C(=NCc1ncccn1)O
inchi:
InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1


name: Ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5-carboxylate
cas: 330785-81-4
chemspiderid: 10763353
dtxsid: DTXSID50621709
formula: C16H18Cl1N3O3S1
inchikey: WLOQDGSMJNYRRC-UHFFFAOYSA-N
norman_susdat_id: NS00007376
pubchem_cid: 22025927
smiles: CCOC(=O)c1cnc(SC)nc1NCc1ccc(OC)c(Cl)c1
inchi:
InChI=1S/C16H18ClN3O3S/c1-4-23-15(21)11-9-19-16(24-3)20-14(11)18-8-10-5-6-13(22-2)12(17)7-10/h5-7,9H,4,8H2,1-3H3,(H,18,19,20)


cas: 330785-83-6
chemspiderid: 11532233
formula: C20H25Cl1N4O4
inchikey: NUTJUOHYJBWTSH-UHFFFAOYSA-N
norman_susdat_id: NS00004028
pubchem_cid: 22665593
smiles: CCOC(=O)c1cnc(nc1NCc1ccc(OC)c(Cl)c1)N1CCCC1CO
name:
Ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylate

inchi:
InChI=1S/C20H25ClN4O4/c1-3-29-19(27)15-11-23-20(25-8-4-5-14(25)12-26)24-18(15)22-10-13-6-7-17(28-2)16(21)9-13/h6-7,9,11,14,26H,3-5,8,10,12H2,1-2H3,(H,22,23,24)


cas: 330785-84-7
chemspiderid: 29577190
dtxsid: DTXSID50736468
formula: C18H21Cl1N4O4
inchikey: KJYHORVTWSYSQP-UHFFFAOYSA-N
norman_susdat_id: NS00008228
pubchem_cid: 22665563
smiles: COc1ccc(CNc2nc(ncc2C(O)=O)N2CCCC2CO)cc1Cl
name:
4-{[(3-Chloro-4-methoxyphenyl)methyl]amino}-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid

inchi:
InChI=1S/C18H21ClN4O4/c1-27-15-5-4-11(7-14(15)19)8-20-16-13(17(25)26)9-21-18(22-16)23-6-2-3-12(23)10-24/h4-5,7,9,12,24H,2-3,6,8,10H2,1H3,(H,25,26)(H,20,21,22)


cas: 330809-58-0
dtxsid: DTXSID50882818
norman_susdat_id: NS00110647
name:
2-Propenoic acid, dodecyl ester, polymers with (chloromethyl)ethenylbenzene, N-(hydroxymethyl)-2-propenamide and .gamma.-.omega.-perfluoro-C10-14-alkyl acrylates


cas: 330809-92-2
dtxsid: DTXSID70883004
norman_susdat_id: NS00111350
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, telomer with chlorotrifluoroethene, oxidized, reduced, hydrolyzed ammonium salts


name: Amitraz
cas: 33089-61-1
chemspiderid: 33405
dtxsid: DTXSID5023871
formula: C19H23N3
inchikey: QXAITBQSYVNQDR-ZIOPAAQOSA-N
norman_susdat_id: NS00010085
pubchem_cid: 36324
smiles: CN(C=Nc1ccc(C)cc1C)C=Nc1ccc(C)cc1C
inchi:
InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+


name: Betrixaban
cas: 330942-05-7
chebiid: CHEBI:140421
dtxsid: DTXSID10954727
formula: C23H22ClN5O3
inchikey: XHOLNRLADUSQLD-UHFFFAOYSA-N
norman_susdat_id: NS00071909
pubchem_cid: 10275777
smiles: COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
inchi:
InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)


name: Tuberactinomycin A
cas: 33103-21-8
chemspiderid: 16736074
formula: C25H43N13O11
inchikey: JCTPGOAHEVLZAB-PRPOONDPSA-N
norman_susdat_id: NS00011852
pubchem_cid: 20055057
inchi:
InChI=1S/C25H43N13O11/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-10)38-20(45)12(6-31-25(29)49)33-21(46)13(7-39)35-22(47)14(8-40)34-19(11)44/h6,9-11,13-15,17-18,39-41,43H,1-5,7-8,26-27H2,(H,30,48)(H,32,42)(H,33,46)(H,34,44)(H,35,47)(H,38,45)(H3,28,36,37)(H3,29,31,49)/b12-6-/t9-,10-,11+,13+,14+,15-,17+,18+/m1/s1

smiles:
C1[C@@H](NC(=N[C@H]1O)N)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N


name: Methyl-2-morpholinospiro[benzofuran-3(2H),1'-[3]cyclohexen]-5-ol
cas: 33112-29-7
dtxsid: DTXSID90954740
formula: C18H23NO3
inchikey: RLZPNHPMTRXRGA-UHFFFAOYSA-N
norman_susdat_id: NS00058916
pubchem_cid: NA
smiles: OC1=CC=C2OC(N3CCOCC3)(C)C4(C2=C1)CC=CCC4
inchi:
InChI=1/C18H23NO3/c1-17(19-9-11-21-12-10-19)18(7-3-2-4-8-18)15-13-14(20)5-6-16(15)22-17/h2-3,5-6,13,20H,4,7-12H2,1H3


name: Dihexadecyl sulphide
cas: 3312-77-4
chemspiderid: 69279
dtxsid: DTXSID10186783
formula: C32H66S1
inchikey: OILQNNHOQFRDJH-UHFFFAOYSA-N
norman_susdat_id: NS00029421
pubchem_cid: 76823
smiles: CCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C32H66S/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/h3-32H2,1-2H3


name: Fluocortin
cas: 33124-50-4
dtxsid: DTXSID30186785
formula: C22H27FO5
inchikey: ZDWSAXWYHQOJNF-UHFFFAOYSA-N
norman_susdat_id: NS00058917
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2C(O)CC4(C)C(C(=O)C(=O)O)CCC34C)C
inchi:
InChI=1/C22H27FO5/c1-20-6-4-11(24)8-13(20)15(23)9-14-17(20)16(25)10-22(3)12(18(26)19(27)28)5-7-21(14,22)2/h4,6,8,12,14-17,25H,5,7,9-10H2,1-3H3,(H,27,28)


name: 6.beta.-chloro-17Î±-hydroxypregna-4-ene-3,20-dione, 17-acetate
cas: 33125-90-5
chebiid: CHEBI:34473
chemspiderid: 168089
formula: C23H31Cl1O4
inchikey: DCVGANSDLNPXGO-WXLIAARGSA-N
norman_susdat_id: NS00020509
pubchem_cid: 200665
smiles: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C
inchi:
InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3/t16-,17+,18+,20+,21-,22+,23+/m1/s1


name: Tuberactinomycin O
cas: 33137-73-4
chemspiderid: 16736075
formula: C25H43N13O9
inchikey: IJLXXTHFOUHWGE-XGRXGJMSSA-N
norman_susdat_id: NS00011850
pubchem_cid: 20055058
inchi:
InChI=1S/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(43)14(8-32-25(29)47)34-21(44)15(9-39)36-22(45)16(10-40)35-19(13)42/h8,11-13,15-16,18,39-40H,1-7,9-10,26-27H2,(H,31,46)(H,33,41)(H,34,44)(H,35,42)(H,36,45)(H,38,43)(H3,28,30,37)(H3,29,32,47)/b14-8-/t11-,12+,13-,15-,16-,18-/m0/s1

smiles:
C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCCN)N)N


name: 2,2'-(2-methylpropylidene)bis[4,6-xylenol]
cas: 33145-10-7
dtxsid: DTXSID50865666
formula: C20H26O2
inchikey: SZAQZZKNQILGPU-UHFFFAOYSA-N
norman_susdat_id: NS00059381
pubchem_cid: 94446
smiles: OC=1C(=CC(=CC1C(C=2C=C(C=C(C2O)C)C)C(C)C)C)C
inchi:
InChI=1/C20H26O2/c1-11(2)18(16-9-12(3)7-14(5)19(16)21)17-10-13(4)8-15(6)20(17)22/h7-11,18,21-22H,1-6H3


name: Ecabet
cas: 33159-27-2
chebiid: CHEBI:135593
dtxsid: DTXSID7046881
formula: C20H28O5S
inchikey: IWCWQNVIUXZOMJ-MISYRCLQSA-N
norman_susdat_id: NS00069179
pubchem_cid: 65781
smiles: CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2
inchi:
InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1


name: 8-hydroxynaphthalene-1,3,6-trisulphonic acid
cas: 3316-02-7
dtxsid: DTXSID0062971
formula: C10H8O10S3
inchikey: KMXMLAGYNHELHA-UHFFFAOYSA-N
norman_susdat_id: NS00049495
pubchem_cid: 76828
smiles: O=S(=O)(O)C=1C=C(O)C=2C(C1)=CC(=CC2S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C10H8O10S3/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20)


name: Dinonyl cyclohexane-1,2-dicarboxylate
cas: 331673-15-5
dtxsid: DTXSID70274054
inchikey: GGLHXZYMYYBBHT-UHFFFAOYSA-N
norman_susdat_id: NS00073862
smiles: CCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCCCC
inchi:
InChI=1/C26H48O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3


name: 2-chloro-5-(4-chlorophenoxy)-4-(diethylamino)benzenediazonium trichlorozincate
cas: 3317-47-3
formula: C16H16Cl2N3O.Cl3Zn
inchikey: XDNQMLHSRLYYFI-UHFFFAOYSA-K
norman_susdat_id: NS00083348
smiles: CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C16H16Cl2N3O.3ClH.Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;/h5-10H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC16H16Cl2N3O.Cl3Zn/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-4(2)3/h5-10H,3-4H2,1-2H3;/q+1;-1


name: Cobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-
cas: 3317-67-7
chemspiderid: 21171875
dtxsid: DTXSID5062972
formula: C32H18N8
inchikey: MPMSMUBQXQALQI-UHFFFAOYSA-N
norman_susdat_id: NS00020410
pubchem_cid: NA
smiles: [Co++].[n-]1c2=NC3=NC(=Nc4c5ccccc5c([n-]4)N=C4N=C(N=c1c1ccccc21)c1ccccc41)c1ccccc31
inchi:
InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl pyridine-3-carboxylate
cas: 331716-84-8
dtxsid: DTXSID10896133
formula: C16H8F17NO2
inchikey: VPYYGEWLNDRXQW-UHFFFAOYSA-N
norman_susdat_id: NS00109391
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)CCOC(=O)c1cccnc1
inchi:
InChI=1S/C16H8F17NO2/c17-9(18,3-5-36-8(35)7-2-1-4-34-6-7)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-2,4,6H,3,5H2


name: Muraglitazar
cas: 331741-94-7
dtxsid: DTXSID9057719
formula: C29H28N2O7
inchikey: IRLWJILLXJGJTD-UHFFFAOYSA-N
norman_susdat_id: NS00072609
pubchem_cid: 206044
smiles: COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1
inchi:
InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33)


name: Vitamin B5
cas: 331748-07-3
dtxsid: DTXSID7047229
formula: C9H17NO5
inchikey: GHOKWGTUZJEAQD-SSDOTTSWSA-N
norman_susdat_id: NS00069968
pubchem_cid: 5748353
smiles: CC(C)(CO)[C@H](O)C(=O)NCCC(=O)O
inchi:
InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m1/s1


name: Tris(2-ethylhexyl) trimellitate
cas: 3319-31-1
chemspiderid: 17681
dtxsid: DTXSID9026265
formula: C33H54O6
inchikey: KRADHMIOFJQKEZ-UHFFFAOYSA-N
norman_susdat_id: NS00005625
pubchem_cid: 18725
smiles: CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)c(c1)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3


name: 1,4-Dihydroxy-2-((2-hydroxyethyl)thio)anthraquinone
cas: 3319-54-8
chemspiderid: 69286
dtxsid: DTXSID30186841
formula: C16H12O5S1
inchikey: MEPIQIDDESKQAQ-UHFFFAOYSA-N
norman_susdat_id: NS00029432
pubchem_cid: 76831
smiles: OCCSc1cc(O)c2C(=O)c3c(cccc3)C(=O)c2c1O
inchi:
InChI=1S/C16H12O5S/c17-5-6-22-11-7-10(18)12-13(16(11)21)15(20)9-4-2-1-3-8(9)14(12)19/h1-4,7,17-18,21H,5-6H2


name: BASIC BLUE 3
cas: 33203-82-6
chebiid: CHEBI:52186
chemspiderid: 81813
formula: C20H26N3O1
inchikey: OELZFJUWWFRWLC-UHFFFAOYSA-N
norman_susdat_id: NS00013374
pubchem_cid: 90612
smiles: [Cl-].CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC
inchi:
InChI=1S/C20H26N3O.ClH/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;/h9-14H,5-8H2,1-4H3;1H/q+1;/p-1


name: Quadrosilan
cas: 33204-76-1
formula: C18H28O4Si4
inchikey: ZTQZMPQJXABFNC-WMPKNSHKSA-N
norman_susdat_id: NS00060392
pubchem_cid: 20774
smiles: O1[Si](O[Si](O[Si](O[Si]1(C)C)(C=2C=CC=CC2)C)(C)C)(C=3C=CC=CC3)C
inchi:
InChI=1/C18H28O4Si4/c1-23(2)19-25(5,17-13-9-7-10-14-17)21-24(3,4)22-26(6,20-23)18-15-11-8-12-16-18/h7-16H,1-6H3


cas: 332076-28-5
dtxsid: DTXSID60882804
norman_susdat_id: NS00110981
name:
2-Oxepanone, homopolymer, decyl perfluoro-C8-14-alkyl esters, reaction products with 1H-imidazole-1-propanamine, polyethylene-polypropylene glycol and TDI homopolymer


cas: 332076-33-2
dtxsid: DTXSID50882939
norman_susdat_id: NS00110658
name:
2-Oxepanone, homopolymer, decyl perfluoro-C8-14-alkyl esters, reaction products with 1H-imidazole-1-propanamine and TDI homopolymer


cas: 332076-34-3
dtxsid: DTXSID90882852
norman_susdat_id: NS00112019
name:
2-Oxepanone, homopolymer, decyl perfluoro-C8-14-alkyl esters, reaction products with 1H-imidazole-1-propanamine, polyethylene glycol and TDI homopolymer


name: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-(cyclohexylamino)-2-methyl-
cas: 33209-23-3
chemspiderid: 103129
dtxsid: DTXSID1067752
formula: C19H20N2O2
inchikey: TWMKDWSXWYHBGQ-UHFFFAOYSA-N
norman_susdat_id: NS00029436
pubchem_cid: 118409
smiles: CN1C(=O)C2=CC=CC3=C(NC4CCCCC4)C=CC(C1=O)=C23
inchi:
InChI=1S/C19H20N2O2/c1-21-18(22)14-9-5-8-13-16(20-12-6-3-2-4-7-12)11-10-15(17(13)14)19(21)23/h5,8-12,20H,2-4,6-7H2,1H3


name: Denaverine hydrochloride
cas: 3321-06-0
chemspiderid: 17682
dtxsid: DTXSID60186859
formula: C24H33N1O3
inchikey: RSDBEODKTNUEMS-UHFFFAOYSA-N
norman_susdat_id: NS00029437
pubchem_cid: 9866796
smiles: Cl.CCC(CC)COC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H33NO3/c1-5-20(6-2)19-28-24(21-13-9-7-10-14-21,22-15-11-8-12-16-22)23(26)27-18-17-25(3)4/h7-16,20H,5-6,17-19H2,1-4H3


name: 2,2'-[benzylidenebis[(2,5-dimethyl-4,1-phenylene)azo]]bis[p-cresol]
cas: 3321-10-6
dtxsid: DTXSID3052016
formula: C37H36N4O2
inchikey: ZTGVOCXFTQXPGJ-UHFFFAOYSA-N
norman_susdat_id: NS00049539
pubchem_cid: 76836
smiles: OC1=CC=C(C=C1N=NC=2C=C(C(=CC2C)C(C=3C=CC=CC3)C4=CC(=C(N=NC5=CC(=CC=C5O)C)C=C4C)C)C)C
inchi:
InChI=1/C37H36N4O2/c1-22-12-14-35(42)33(16-22)40-38-31-20-24(3)29(18-26(31)5)37(28-10-8-7-9-11-28)30-19-27(6)32(21-25(30)4)39-41-34-17-23(2)13-15-36(34)43/h7-21,37,42-43H,1-6H3


cas: 3321-13-9
formula: C20H19N3O12S3
inchikey: HQVQGBXKAKQMBT-UHFFFAOYSA-K
norman_susdat_id: NS00049540
pubchem_cid: 135570984
name:
Trisodium 5-(acetylamino)-3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C20H19N3O12S3.3Na/c1-3-35-15-5-4-12(8-16(15)37(29,30)31)22-23-19-17(38(32,33)34)7-11-6-13(36(26,27)28)9-14(21-10(2)24)18(11)20(19)25;;;/h4-9,25H,3H2,1-2H3,(H,21,24)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(OCC)C(=C3)S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


name: 4-[(2-chloro-4,6-dinitrophenyl)azo]naphthalen-1-amine
cas: 3321-49-1
formula: C16H12ClN5O4
inchikey: HTTZEKZZLKWRNB-UHFFFAOYSA-N
norman_susdat_id: NS00049506
pubchem_cid: 76837
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(N)C=3C=CC=CC23)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H10ClN5O4/c17-12-7-9(21(23)24)8-15(22(25)26)16(12)20-19-14-6-5-13(18)10-3-1-2-4-11(10)14/h1-8H,18H2


name: N-Methyl-3-piperidyl benzilate
cas: 3321-80-0
chemspiderid: 56274
dtxsid: DTXSID2046258
formula: C20H23N1O3
inchikey: ZBEILXWHVSVDBN-UHFFFAOYNA-N
norman_susdat_id: NS00029441
pubchem_cid: NA
smiles: CN1CCCC(C1)OC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H23NO3/c1-21-14-8-13-18(15-21)24-19(22)20(23,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18,23H,8,13-15H2,1H3/t18-/m1/s1


name: 9(10H)-Anthracenone, 10,10'-(1,2-ethenediylidene)bis-
cas: 3321-86-6
chemspiderid: 92483
dtxsid: DTXSID0062977
formula: C30H16O2
inchikey: DATXULQQDBTIRC-UHFFFAOYSA-N
norman_susdat_id: NS00029442
pubchem_cid: 102393
smiles: O=C1c2c(cccc2)C(=C=C=C2c3c(cccc3)C(=O)c3c2cccc3)c2c1cccc2
inchi:
InChI=1S/C30H16O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-16H


name: 12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
cas: 332136-76-2
dtxsid: DTXSID80895274
formula: C12H4BrF21
inchikey: FUNGIPYUUZNTQZ-UHFFFAOYSA-N
norman_susdat_id: NS00111719
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr
inchi:
InChI=1S/C12H4BrF21/c13-2-1-3(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)12(32,33)34/h1-2H2


name: Benzenesulfonamide, 2-amino-N-decyl-
cas: 33214-32-3
chemspiderid: 105829
dtxsid: DTXSID6067753
formula: C16H28N2O2S1
inchikey: ANEIGMLCYCZUCH-UHFFFAOYSA-N
norman_susdat_id: NS00029438
pubchem_cid: 118410
smiles: CCCCCCCCCCNS(=O)(=O)c1ccccc1N
inchi:
InChI=1S/C16H28N2O2S/c1-2-3-4-5-6-7-8-11-14-18-21(19,20)16-13-10-9-12-15(16)17/h9-10,12-13,18H,2-8,11,14,17H2,1H3


cas: 33231-00-4
chebiid: CHEBI:90179
formula: C27H35N3
inchikey: FRCAGVUKJQCWBD-UHFFFAOYSA-L
norman_susdat_id: NS00058938
pubchem_cid: NA
smiles: [Cl-].[Cl-].C1=CC(C=CC1=C(C2=CC=C(C=C2)[N+](C)(C)C)C3=CC=C(C(=C3)C)N(C)C)=[N+](C)C
name:
4-[[4-(dimethylamino)-m-tolyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride

inchi:
InChI=1/C27H35N3.2ClH/c1-20-19-23(13-18-26(20)29(4)5)27(21-9-14-24(15-10-21)28(2)3)22-11-16-25(17-12-22)30(6,7)8;;/h9-19H,1-8H3;2*1H/q+2;;/p-2


name: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium iodide
cas: 33232-06-3
formula: C12H17N4OS.I
inchikey: OJCWGTRLOGXKRQ-UHFFFAOYSA-M
norman_susdat_id: NS00089772
smiles: [I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
inchi:
InChI=1/C12H17N4OS.HI/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1


cas: 332350-90-0
dtxsid: DTXSID40883016
norman_susdat_id: NS00110321
name:
Phosphonium, tributyl(2-methoxypropyl)-, salt with 1,1,2,2,3,3,4,4,4-nonefluoro-N-methyl-1-butanesulfonamide (1:1)


cas: 332350-93-3
dtxsid: DTXSID10883028
norman_susdat_id: NS00109291
name:
Phosphonium, triphenyl(phenylmethyl)-, salt with 1,1,2,2,3,3,4,4,4-nonefluoro-N-methyl-1-butanesulfonamide (1:1)


name: Aprindine hydrochloride
cas: 33237-74-0
chebiid: CHEBI:31229
dtxsid: DTXSID5046726
formula: C22H31ClN2
inchikey: KIPFVRHNAAZJOD-UHFFFAOYSA-N
norman_susdat_id: NS00076340
smiles: Cl.CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1
inchi:
InChI=1S/C22H30N2.ClH/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22;/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3;1H


name: CI 45425
cas: 33239-19-9
chemspiderid: 83340
formula: C20H10I2O5
inchikey: DSVUBXQDJGJGIC-UHFFFAOYSA-N
norman_susdat_id: NS00013517
pubchem_cid: 92311
smiles: [Na+].[Na+].[O-]c1ccc2c(Oc3c(I)c([O-])ccc3C24OC(=O)c5ccccc45)c1I
inchi:
InChI=1S/C20H10I2O5.2Na/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-8,23-24H;;/q;2*+1/p-2


name: 2,4-Dibenzyl-6-bromo-1,2,4-triazine-3,5(2H,4H)-dione
cas: 33242-54-5
chemspiderid: 105839
dtxsid: DTXSID40186892
formula: C17H14Br1N3O2
inchikey: YBZGYEZYYVYYCJ-UHFFFAOYSA-N
norman_susdat_id: NS00029447
pubchem_cid: 118420
smiles: Brc1nn(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
inchi:
InChI=1S/C17H14BrN3O2/c18-15-16(22)20(11-13-7-3-1-4-8-13)17(23)21(19-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2


name: Fluchloralin
cas: 33245-39-5
chebiid: CHEBI:81919
chemspiderid: 33448
dtxsid: DTXSID9032614
formula: C12H13Cl1F3N3O4
inchikey: MNFMIVVPXOGUMX-UHFFFAOYSA-N
norman_susdat_id: NS00003831
pubchem_cid: 36392
smiles: CCCN(CCCl)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
inchi:
InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3


cas: 3325-10-8
formula: C29H36Cl4N4O6S2
inchikey: DWWWPNIYXMBXIY-UHFFFAOYSA-N
norman_susdat_id: NS00049532
pubchem_cid: NA
name:
Hydrogen 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-2H-benzimidazol-2-ylidene]propen-1-yl]-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium

inchi:
InChI=1/C29H36Cl4N4O6S2.H2/c1-5-34-24-14-20(30)22(32)16-26(24)36(12-10-18(3)44(38,39)40)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)13-11-19(4)45(41,42)43;/h7-9,14-19,28H,5-6,10-13H2,1-4H3,(H,38,39,40)(H,41,42,43);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C(C)CCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC3N(C4=CC(Cl)=C(Cl)C=C4[NH+]3CC)CCC(C)S(=O)(=O)[O-])CC


cas: 33250-21-4
dtxsid: DTXSID60954893
formula: C22H34O13S6
inchikey: ZJTNQTIDXPFTDL-UHFFFAOYSA-N
norman_susdat_id: NS00059421
pubchem_cid: 118423
smiles: O=C(OCC(COC(=O)CS)(COC(=O)CS)COCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)CS
name:
2-[[3-[(mercaptoacetyl)oxy]-2,2-bis[[(mercaptoacetyl)oxy]methyl]propoxy]methyl]-2-[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl bis(mercaptoacetate)

inchi:
InChI=1/C22H34O13S6/c23-15(1-36)30-9-21(10-31-16(24)2-37,11-32-17(25)3-38)7-29-8-22(12-33-18(26)4-39,13-34-19(27)5-40)14-35-20(28)6-41/h36-41H,1-14H2


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 5-amino-3',6'-dihydroxy-
cas: 3326-34-9
chebiid: CHEBI:91078
chemspiderid: 69298
dtxsid: DTXSID0062979
formula: C20H13N1O5
inchikey: GZAJOEGTZDUSKS-UHFFFAOYSA-N
norman_susdat_id: NS00005990
pubchem_cid: 76845
smiles: Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12
inchi:
InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2


name: (S)-a-amino-N-2-naphthyl-1H-indole-3-propionamide
cas: 3326-63-4
dtxsid: DTXSID90954902
formula: C21H19N3O
inchikey: FVGGFBMEWGARAX-UHFFFAOYSA-N
norman_susdat_id: NS00050233
pubchem_cid: 102979
smiles: O=C(NC=1C=CC=2C=CC=CC2C1)C(N)CC3=CNC=4C=CC=CC43
inchi:
InChI=1/C21H19N3O/c22-19(12-16-13-23-20-8-4-3-7-18(16)20)21(25)24-17-10-9-14-5-1-2-6-15(14)11-17/h1-11,13,19,23H,12,22H2,(H,24,25)


name: (2S-trans)-4-hydroxy-N-2-naphthylpyrrolidine-2-carboxamide
cas: 3326-64-5
dtxsid: DTXSID50954903
formula: C15H16N2O2
inchikey: KMQNGXDZQAILQD-UHFFFAOYSA-N
norman_susdat_id: NS00049533
pubchem_cid: 102980
smiles: O=C(NC=1C=C(O)C=2C=CC=CC2C1)C3NCCC3
inchi:
InChI=1/C15H16N2O2/c18-14-9-11(8-10-4-1-2-5-12(10)14)17-15(19)13-6-3-7-16-13/h1-2,4-5,8-9,13,16,18H,3,6-7H2,(H,17,19)


name: (17ß)-3,3-[ethylenebis(oxy)]-17-hydroxyandrost-5-ene-17-carbonitrile
cas: 33261-95-9
formula: C22H31NO3
inchikey: VRSHJJXUDZAQKD-UHFFFAOYSA-N
norman_susdat_id: NS00089576
smiles: CC12CCC3(CC1=CCC4C2CCC5(C)C4CCC5(O)C#N)OCCO3
inchi:
InChI=1/C22H31NO3/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h3,16-18,24H,4-13H2,1-2H3


name: 3,7-bis(diethylamino)phenoxazin-5-ium trichlorozincate
cas: 33273-26-6
formula: C20H26N3O.Cl3Zn
inchikey: QWROZACRIPOSPD-UHFFFAOYSA-K
norman_susdat_id: NS00089806
smiles: CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C20H26N3O.3ClH.Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;;;;/h9-14H,5-8H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC20H26N3O.Cl3Zn/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;1-4(2)3/h9-14H,5-8H2,1-4H3;/q+1;-1


name: Parasorboside
cas: 33276-04-9
chemspiderid: 2312479
dtxsid: DTXSID30186907
formula: C12H20O8
inchikey: MGRDPWLWGQMMGX-KQSBPNOMSA-N
norman_susdat_id: NS00094668
pubchem_cid: 3050414
smiles: C[C@H]1C[C@@H](CC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C12H20O8/c1-5-2-6(3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h5-7,9-13,15-17H,2-4H2,1H3/t5-,6-,7+,9+,10-,11+,12+/m0/s1


name: k-Strophantoside (Strophanthidin-Cym-Glc-Glc)
cas: 33279-57-1
chemspiderid: 20055295
formula: C42H64O19
inchikey: GILGYKHFZXQALF-FBPIOBPTSA-N
norman_susdat_id: NS00093781
pubchem_cid: 16736549
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)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O


cas: 33286-22-5
chebiid: CHEBI:645509
dtxsid: DTXSID8040147
formula: C22H27ClN2O4S
inchikey: HDRXZJPWHTXQRI-BHDTVMLSSA-N
norman_susdat_id: NS00075848
smiles: Cl.COC1=CC=C(C=C1)[C@@H]1SC2=C(C=CC=C2)N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
name:
1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-, monohydrochloride, (2S-cis)-

inchi:
InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1


cas: 33286-30-5
formula: C31H46O18S2
inchikey: FPJGZZYAZUKPAD-PTLDNRCTSA-L
norman_susdat_id: NS00054630
pubchem_cid: 108174
name:
Dipotassium dihydrogen 15a-hydroxy-2ß-[[2-O-isovaleryl-3,4-di-O-sulphonato-ß-D-glucopyranosyl]oxy]kaur-16-ene-18,19-dioate

inchi:
InChI=1/C31H46O18S2.2K.2H2/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[K+].[K+].O=C(OC1C(OC2CC(C(=O)[O-])(C(=O)[O-])C3CCC45CC(C(=C)C4O)CCC5C3(C)C2)OC(CO)C(OS(=O)(=O)[O-])C1OS(=O)(=O)[O-])CC(C)C


