# cl_id

cas: 1488363-78-5
formula: C32H36F3NO4
inchikey: FASLTMSUPQDLIB-MHZLTWQESA-N
norman_susdat_id: NS00073385
pubchem_cid: 91933867
smiles: Cc1cc(O[C@@H](CCC(F)(F)F)c2ccc(C(=O)NCCC(=O)O)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1
name:
3-[(4-{1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl}phenyl)formamido]propanoic acid

inchi:
InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1


cas: 148878-17-5
dtxsid: DTXSID80882806
norman_susdat_id: NS00111672
name:
2-Propenoic acid, 2-methyl-, C12-18-alkyl esters, polymer with .alpha.-fluoro-.omega.-[2-[(1-oxy-2-propenyl)oxy]ethyl]poly(difluoromethylene) and vinylidene chloride


cas: 148878-22-2
chemspiderid: NA
dtxsid: DTXSID90721676
formula: C28H24Cl1N7O13S4
inchikey: LWZDHUFESVTWHS-ULDVOPSXSA-N
norman_susdat_id: NS00004793
pubchem_cid: NA
name:
Sodium 5-{[4-chloro-6-(4-methyl-2-sulfoanilino)-1,3,5-triazin-2-yl]amino}-3-[2-(4,5-dimethyl-2-sulfophenyl)hydrazinylidene]-4-oxo-3,4-dihydronaphthalene-2,7-disulfonate (2/1)

inchi:
InChI=1S/C28H24ClN7O13S4/c1-12-4-5-17(20(6-12)51(41,42)43)30-27-32-26(29)33-28(34-27)31-19-11-16(50(38,39)40)9-15-10-22(53(47,48)49)24(25(37)23(15)19)36-35-18-7-13(2)14(3)8-21(18)52(44,45)46/h4-11,37H,1-3H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,30,31,32,33,34)/b36-35+

smiles:
Cc1ccc(Nc2nc(Cl)nc(Nc3cc(cc4cc(c(N=Nc5cc(C)c(C)cc5S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)n2)c(c1)S(O)(=O)=O


cas: 148919-89-5
dtxsid: DTXSID70897661
norman_susdat_id: NS00111542
name:
Poly(oxy-1,2-ethanediyl), α-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-octadecafluoro-2-hydroxy-12-(trifluoromethyl)tridecyl]-ω-hydroxy-


name: 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,3-phenylene)bis[5-chloro-
cas: 148935-94-8
chemspiderid: 9049081
dtxsid: DTXSID10446652
formula: C22H10Cl2N2O4
inchikey: RYEBARWNIIBYNQ-UHFFFAOYSA-N
norman_susdat_id: NS00007116
pubchem_cid: 10873804
smiles: Clc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)N1C(=O)c2ccc(Cl)cc2C1=O
inchi:
InChI=1S/C22H10Cl2N2O4/c23-11-4-6-15-17(8-11)21(29)25(19(15)27)13-2-1-3-14(10-13)26-20(28)16-7-5-12(24)9-18(16)22(26)30/h1-10H


name: Procaine borate
cas: 149-13-3
formula: C13H20N2O2.5BHO2
inchikey: XNPJVNACVZQCEQ-UHFFFAOYSA-N
norman_susdat_id: NS00079271
smiles: Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1.OB(O)O
inchi:
InChI=1/C13H20N2O2.BH3O3.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;2-1(3)4;/h5-8H,3-4,9-10,14H2,1-2H3;2-4H;1H


name: Butacaine sulphate
cas: 149-15-5
formula: C18H30N2O2.1/2H2O4S
inchikey: REAJXHWQEFYUCV-UHFFFAOYSA-N
norman_susdat_id: NS00079268
smiles: CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1.OS(=O)(=O)O
inchi:
InChI=1/C18H30N2O2.H2O4S/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;1-5(2,3)4/h8-11H,3-7,12-15,19H2,1-2H3;(H2,1,2,3,4)


name: Butacaine
cas: 149-16-6
chebiid: CHEBI:94820
chemspiderid: 2386
dtxsid: DTXSID3045300
formula: C18H30N2O2
inchikey: HQFWVSGBVLEQGA-UHFFFAOYSA-N
norman_susdat_id: NS00003401
pubchem_cid: 2480
smiles: CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
inchi:
InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3


name: Isonicotinic acid vanillylidenehydrazide
cas: 149-17-7
dtxsid: DTXSID3020758
formula: C14H13N3O3
inchikey: PSWOBQSIXLVPDV-CXUHLZMHSA-N
norman_susdat_id: NS00076252
smiles: COC1=C(O)C=CC(C=NNC(=O)C2=CC=NC=C2)=C1
inchi:
InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+


name: Ethanesulfonic acid, 2-[methyl(1-oxooctadecyl)amino]-, sodium salt
cas: 149-39-3
chemspiderid: 60699
dtxsid: DTXSID6059736
formula: C21H43N1O4S1
inchikey: LTQRFSDXNWHXKQ-UHFFFAOYSA-N
norman_susdat_id: NS00014074
pubchem_cid: 67369
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)N(C)CC[S]([O-])(=O)=O
inchi:
InChI=1S/C21H43NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h3-20H2,1-2H3,(H,24,25,26);/q;+1/p-1


name: Disodium 4,5-dihydroxybenzene-1,3-disulphonate
cas: 149-45-1
chebiid: CHEBI:9607
formula: C6H6O8S2.2Na
inchikey: ISWQCIVKKSOKNN-UHFFFAOYSA-L
norman_susdat_id: NS00079474
smiles: [Na+].[Na+].Oc1cc(cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C6H6O8S2.2Na/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2


name: Butylscopolammonium bromide
cas: 149-64-4
chemspiderid: 8654
dtxsid: DTXSID1022718
formula: C21H30N1O4
inchikey: YBCNXCRZPWQOBR-FAQYLHNASA-N
norman_susdat_id: NS00009194
pubchem_cid: 9004
smiles: CCCC[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15?,16?,17-,18-,19-,20+,22?/m0/s1


name: Cyclohexyldimethylammonium dibutyldithiocarbamate
cas: 149-82-6
formula: C9H19NS2.C8H17N
inchikey: APWMBANPMBFWLA-UHFFFAOYSA-N
norman_susdat_id: NS00079279
smiles: CCCCN(CCCC)C(=S)[S-].C[NH+](C)C1CCCCC1
inchi:
InChI=1/C9H19NS2.C8H17N/c1-3-5-7-10(9(11)12)8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-8H2,1-2H3,(H,11,12);8H,3-7H2,1-2H3


cas: 1490-20-6
formula: C41H80NO8P
inchikey: ZSVMWQMKUKDZTH-UHFFFAOYSA-N
norman_susdat_id: NS00045022
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN(C)C)CCCCCCCCCCCCCCC
name:
(R)-1-[[(hexadecanoyl)oxy]methyl]-4-hydroxy-8-methyl-3,5-dioxa-8-aza-4-phosphanon-1-yl oleate P-oxide

inchi:
InChI=1/C41H80NO8P/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3)4)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-2/h19-20,39H,5-18,21-38H2,1-4H3,(H,45,46)


name: Dexrazoxane
cas: 149003-01-0
chebiid: CHEBI:50223
dtxsid: DTXSID3040647
formula: C11H16N4O4
inchikey: BMKDZUISNHGIBY-ZETCQYMHSA-N
norman_susdat_id: NS00073041
pubchem_cid: 71384
smiles: C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
inchi:
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1


name: Bis[8-(dimethylamino)-3-methyl-2-oxo-10-phenyl-2,10-dihydrophenazin-5-ium] sulfate
cas: 149057-64-7
chemspiderid: NA
dtxsid: DTXSID00692929
formula: C21H20N3O1
inchikey: WTNYMGQRSGVOSN-UHFFFAOYSA-O
norman_susdat_id: NS00005017
pubchem_cid: 58725504
smiles: Cc1cc2nc3ccc(cc3n(-c3ccccc3)c2cc1O)=[N+](C)C
inchi:
InChI=1S/C21H19N3O/c1-14-11-18-20(13-21(14)25)24(15-7-5-4-6-8-15)19-12-16(23(2)3)9-10-17(19)22-18/h4-13H,1-3H3/p+1


name: 1-Bromo-4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzene
cas: 149068-60-0
dtxsid: DTXSID30895688
formula: C13H6BrF13
inchikey: XNXSDDUAQKULBW-UHFFFAOYSA-N
norman_susdat_id: NS00110055
smiles: FC(F)(F)C(F)(F)C(F)(F)C(Cc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H6BrF13/c14-7-3-1-6(2-4-7)5-8(11(19,20)21,12(22,23)24)9(15,16)10(17,18)13(25,26)27/h1-4H,5H2


name: D-Tryptophan methyl ester hydrochloride
cas: 14907-27-8
chemspiderid: 9359472
dtxsid: DTXSID90466232
formula: C12H14N2O2
inchikey: XNFNGGQRDXFYMM-HNCPQSOCSA-N
norman_susdat_id: NS00024880
pubchem_cid: 11448200
smiles: Cl.COC(=O)[C@H](N)CC1=CNC2=CC=CC=C12
inchi:
InChI=1S/C12H14N2O2/c1-16-12(15)10(13)6-8-7-14-11-5-3-2-4-9(8)11/h2-5,7,10,14H,6,13H2,1H3/t10-/m1/s1


name: Naftalofos
cas: 1491-41-4
chebiid: CHEBI:51962
chemspiderid: 14419
dtxsid: DTXSID2042193
formula: C16H16N1O6P1
inchikey: QNSIFYWAPWSAIJ-UHFFFAOYSA-N
norman_susdat_id: NS00024882
pubchem_cid: 15148
smiles: CCOP(=O)(OCC)On1c(=O)c2cccc3c2c(ccc3)c1=O
inchi:
InChI=1S/C16H16NO6P/c1-3-21-24(20,22-4-2)23-17-15(18)12-9-5-7-11-8-6-10-13(14(11)12)16(17)19/h5-10H,3-4H2,1-2H3


name: Oxymetazoline
cas: 1491-59-4
chebiid: CHEBI:7862
chemspiderid: 4475
dtxsid: DTXSID3040691
formula: C16H24N2O1
inchikey: WYWIFABBXFUGLM-UHFFFAOYSA-N
norman_susdat_id: NS00005342
pubchem_cid: 4636
smiles: Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
inchi:
InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)


name: N-Cyclohexyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
cas: 149118-66-1
chemspiderid: 8036531
dtxsid: DTXSID50432019
formula: C15H17N1O3S1
inchikey: VOZSTWKINVCUQY-UHFFFAOYSA-N
norman_susdat_id: NS00009301
pubchem_cid: 9860832
smiles: O=C(NC1CCCCC1)C1=Cc2ccccc2S1(=O)=O
inchi:
InChI=1S/C15H17NO3S/c17-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20(14,18)19/h4-6,9-10,12H,1-3,7-8H2,(H,16,17)


name: Cholest-5-ene-3-ß-yl dihydrocinnamate
cas: 14914-99-9
dtxsid: DTXSID40933560
formula: C36H54O2
inchikey: KPNKAGLPVPTLGB-UHFFFAOYSA-N
norman_susdat_id: NS00052754
pubchem_cid: 4190064
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCC=5C=CC=CC5
inchi:
InChI=1/C36H54O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-13,15,25-26,29-33H,9-11,14,16-24H2,1-5H3


cas: 14918-39-9
formula: C32H28N8O10S2
inchikey: SZVOKPKIXYMQHL-UHFFFAOYSA-N
norman_susdat_id: NS00052771
pubchem_cid: 135449787
name:
3,6-bis[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C32H28N8O10S2/c1-17-25(31(43)39(37(17)3)20-11-7-5-8-12-20)33-35-27-22(51(45,46)47)15-19-16-23(52(48,49)50)28(30(42)24(19)29(27)41)36-34-26-18(2)38(4)40(32(26)44)21-13-9-6-10-14-21/h5-16,41-42H,1-4H3,(H,45,46,47)(H,48,49,50)

smiles:
O=C1C(N=NC2=C(O)C=3C(O)=C(N=NC=4C(=O)N(C=5C=CC=CC5)N(C4C)C)C(=CC3C=C2S(=O)(=O)O)S(=O)(=O)O)=C(N(N1C=6C=CC=CC6)C)C


name: FD&C Red 4 parent
cas: 14918-59-3
chemspiderid: 11606096
dtxsid: DTXSID1047998
formula: C18H16N2O7S2
inchikey: DZCOAQKTFAIFRV-UHFFFAOYSA-N
norman_susdat_id: NS00021016
pubchem_cid: NA
smiles: Cc1cc(C)c(cc1S(=O)(=O)O)N=Nc1c(O)c2ccccc2c(c1)S(=O)(=O)O
inchi:
InChI=1S/C18H16N2O7S2/c1-10-7-11(2)16(28(22,23)24)8-14(10)19-20-15-9-17(29(25,26)27)12-5-3-4-6-13(12)18(15)21/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27)/b20-19+


name: (S)-N-tert-butyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide
cas: 149182-72-9
chemspiderid: 599818
formula: C14H20N2O1
inchikey: DMJXRYSGXCLCFP-LBPRGKRZSA-N
norman_susdat_id: NS00010030
pubchem_cid: 688344
smiles: CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1
inchi:
InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1


name: Octanoate
cas: 14919-35-8
formula: C15H30NO4
inchikey: CXTATJFJDMJMIY-CYBMUJFWSA-O
norman_susdat_id: NS00069058
pubchem_cid: 449186
smiles: CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
inchi:
InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/p+1/t13-/m1/s1


name: Benserazide hydrochloride
cas: 14919-77-8
chebiid: CHEBI:31262
dtxsid: DTXSID0045412
formula: C10H16ClN3O5
inchikey: ULFCBIUXQQYDEI-UHFFFAOYSA-N
norman_susdat_id: NS00076155
smiles: Cl.NC(CO)C(=O)NNCC1=C(O)C(O)=C(O)C=C1
inchi:
InChI=1/C10H15N3O5.ClH/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);1H


name: 4-Nitrophenyl palmitate
cas: 1492-30-4
chebiid: CHEBI:85645
chemspiderid: 66524
dtxsid: DTXSID20164193
formula: C22H35N1O4
inchikey: LVZSQWIWCANHPF-UHFFFAOYSA-N
norman_susdat_id: NS00024884
pubchem_cid: 73891
smiles: CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3


name: 2-Propenoic acid, 4-[methyl[(nonafluorobutyl)sulfonyl]amino]butyl ester
cas: 1492-87-1
chemspiderid: 66526
dtxsid: DTXSID2061729
formula: C12H14F9N1O4S1
inchikey: PGYDZCBTWHHAQX-UHFFFAOYSA-N
norman_susdat_id: NS00011219
pubchem_cid: 73893
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C=C
inchi:
InChI=1S/C12H14F9NO4S/c1-3-8(23)26-7-5-4-6-22(2)27(24,25)12(20,21)10(15,16)9(13,14)11(17,18)19/h3H,1,4-7H2,2H3


name: Cadmium diicosanoate
cas: 14923-81-0
formula: C20H40O2.1/2Cd
inchikey: RBHNZROBARWZDN-UHFFFAOYSA-L
norman_susdat_id: NS00086672
smiles: [Cd+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2


name: Indoxyl-β-D-glucuronide
cas: 149231-45-8
chebiid: CHEBI:145223
chemspiderid: 2015556
formula: C14H15N1O7
inchikey: KUYNOZVWCFXSNE-BYNIDDHOSA-N
norman_susdat_id: NS00014984
pubchem_cid: 2733785
smiles: OC(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2cccc3)[C@@H]([C@H]([C@@H]1O)O)O
inchi:
InChI=1S/C14H15NO7/c16-9-10(17)12(13(19)20)22-14(11(9)18)21-8-5-15-7-4-2-1-3-6(7)8/h1-5,9-12,14-18H,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1


name: N-Desmethyl Venlafaxine
cas: 149289-30-5
chebiid: CHEBI:83525
chemspiderid: 2741972
dtxsid: DTXSID20881050
formula: C16H25N1O2
inchikey: MKAFOJAJJMUXLW-UHFFFAOYSA-N
norman_susdat_id: NS00008346
pubchem_cid: 3501942
smiles: CNCC(c1ccc(OC)cc1)C1(O)CCCCC1
inchi:
InChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3


name: Cholesolvin
cas: 14929-11-4
chebiid: CHEBI:32131
chemspiderid: 5028
dtxsid: DTXSID8057647
formula: C23H26Cl2O6
inchikey: JLRNKCZRCMIVKA-UHFFFAOYSA-N
norman_susdat_id: NS00024887
pubchem_cid: 5217
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
inchi:
InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3


cas: 1492952-76-7
formula: C20H18ClF2N5O3
inchikey: VOVZXURTCKPRDQ-CQSZACIVSA-N
norman_susdat_id: NS00073443
pubchem_cid: 72165228
smiles: O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ccn[nH]2)c1
name:
N-[4-(chlorodifluoromethoxy)phenyl]-6-(3-hydroxypyrrolidin-1-yl)-5-(1h-pyrazol-5-yl)pyridine-3-carboxamide

inchi:
InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1


name: Cytochalasin B
cas: 14930-96-2
chebiid: CHEBI:23527
chemspiderid: 4470791
dtxsid: DTXSID30893482
formula: C29H37N1O5
inchikey: GBOGMAARMMDZGR-TYHYBEHESA-N
norman_susdat_id: NS00011654
pubchem_cid: 5311281
inchi:
InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1

smiles:
C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)Cc4ccccc4)C)O)O


cas: 14931-83-0
chemspiderid: 25186
dtxsid: DTXSID2065830
formula: C10H18N2O8
inchikey: TWJZAIVFYJWAJC-UHFFFAOYSA-J
norman_susdat_id: NS00024888
pubchem_cid: 84702
smiles: [Co++].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[OH-])CC(=O)[OH-]
name:
Cobaltate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, (OC-6-21)-

inchi:
InChI=1S/C10H18N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6,13,17H2,(H,15,16)(H,19,20)


name: 1-(carboxylatomethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-undecyl-1H-imidazolium
cas: 14933-33-6
dtxsid: DTXSID70933619
formula: C18H36N2O3
inchikey: ZGQCTKIMCZFCBZ-UHFFFAOYSA-N
norman_susdat_id: NS00052772
pubchem_cid: 19599077
smiles: O=C([O-])C[NH+]1CCN(CCO)C1CCCCCCCCCCC
inchi:
InChI=1/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19(14-15-21)12-13-20(17)16-18(22)23/h17,21H,2-16H2,1H3,(H,22,23)


name: 3-ethyl-2-methylbenzothiazolium p-toluenesulphonate
cas: 14933-76-7
formula: C10H12NS.C7H7O3S
inchikey: NJSVJXQJFLLFCG-UHFFFAOYSA-M
norman_susdat_id: NS00086673
smiles: CC[n+]1c(C)sc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 6:2 Fluorotelomer thioether propanoic acid
cas: 149339-57-1
chemspiderid: 28688928
dtxsid: DTXSID40571648
formula: C11H9F13O2S1
inchikey: XAZKWGLYRRMFFE-UHFFFAOYSA-N
norman_susdat_id: NS00018779
pubchem_cid: 15333596
smiles: OC(=O)CCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H9F13O2S/c12-6(13,2-4-27-3-1-5(25)26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,25,26)


name: 3-ethyl-2-[3-(3-ethyl-3H-benzoxazol-2-ylidene)-2-methylprop-1-enyl]benzoxazolium iodide
cas: 14934-37-3
dtxsid: DTXSID30884774
formula: C22H23N2O2
inchikey: SGSAYBUVQALYJE-UHFFFAOYSA-M
norman_susdat_id: NS00052639
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC(=CC=3OC=4C=CC=CC4[N+]3CC)C)CC
inchi:
InChI=1/C22H23N2O2.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


cas: 14936-97-1
formula: C25H21N3O6S
inchikey: LKSHJHJGLORTGD-UHFFFAOYSA-M
norman_susdat_id: NS00052773
pubchem_cid: 84715
smiles: [Na+].O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4O)S(=O)(=O)[O-])=C2O
name:
Sodium 3-[[3-[[(2,4-dimethylphenyl)amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzenesulphonate

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


name: Tetrakis(decyl)ammonium bromide
cas: 14937-42-9
dtxsid: DTXSID90933631
formula: C40H84N
inchikey: AHNISXOXSNAHBZ-UHFFFAOYSA-M
norman_susdat_id: NS00052663
pubchem_cid: 3014876
smiles: [Br-].CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C40H84N.BrH/c1-5-9-13-17-21-25-29-33-37-41(38-34-30-26-22-18-14-10-6-2,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;/h5-40H2,1-4H3;1H/q+1;/p-1


name: Tributylhexadecylphosphonium bromide
cas: 14937-45-2
dtxsid: DTXSID50884776
formula: C28H60P
inchikey: RYVBINGWVJJDPU-UHFFFAOYSA-M
norman_susdat_id: NS00053695
pubchem_cid: 84716
smiles: [Br-].CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
inchi:
InChI=1/C28H60P.BrH/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25-10-6-2,26-11-7-3)27-12-8-4;/h5-28H2,1-4H3;1H/q+1;/p-1


name: Dipotassium 9,10-dihydro-9,10-dioxoanthracene-1,8-disulphonate
cas: 14938-42-2
formula: C14H8O8S2.2K
inchikey: PWPFDCNGQQSVJK-UHFFFAOYSA-L
norman_susdat_id: NS00085683
smiles: [K+].[K+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O8S2.2K/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Poncirin
cas: 14941-08-3
chebiid: CHEBI:66773
chemspiderid: 390894
formula: C28H34O14
inchikey: NLAWPKPYBMEWIR-SKYQDXIQSA-N
norman_susdat_id: NS00015844
pubchem_cid: 442456
smiles: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O
inchi:
InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1


name: N-Demethyl-Spinosyn D
cas: 149439-70-3
chemspiderid: NA
formula: C41H65N1O10
inchikey: XZDDTAKXLUVBPD-RVTZKUCMSA-N
norman_susdat_id: NS00002391
pubchem_cid: 101145238
inchi:
InChI=1S/C41H65NO10/c1-10-25-12-11-13-34(52-36-15-14-33(42-6)23(4)48-36)22(3)37(44)32-19-30-28(31(32)20-35(43)50-25)16-21(2)27-17-26(18-29(27)30)51-41-40(47-9)39(46-8)38(45-7)24(5)49-41/h16,19,22-31,33-34,36,38-42H,10-15,17-18,20H2,1-9H3/t22-,23-,24+,25+,26-,27+,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1

smiles:
CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC


name: p-nitrophenyl 2-acetamido-2-deoxy-ß-D-galactopyranoside
cas: 14948-96-0
chebiid: CHEBI:38406
formula: C14H18N2O8
inchikey: OMRLTNCLYHKQCK-RKQHYHRCSA-N
norman_susdat_id: NS00085684
smiles: CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+](=O)[O-]
inchi:
InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)


name: Lefradafiban
cas: 149503-79-7
chebiid: CHEBI:60634
dtxsid: DTXSID80164331
formula: C23H25N3O6
inchikey: PGCFXITVMNNKON-ROUUACIJSA-N
norman_susdat_id: NS00071800
smiles: COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OC)cc3)cc2)NC1=O
inchi:
InChI=1S/C23H25N3O6/c1-30-20(27)12-17-11-18(25-22(17)28)13-32-19-9-7-15(8-10-19)14-3-5-16(6-4-14)21(24)26-23(29)31-2/h3-10,17-18H,11-13H2,1-2H3,(H,25,28)(H2,24,26,29)/t17-,18-/m0/s1


name: Simeconazole (I)
cas: 149508-90-7
chebiid: CHEBI:83996
chemspiderid: 8261320
dtxsid: DTXSID8057980
formula: C14H20FN3OSi
inchikey: YABFPHSQTSFWQB-UHFFFAOYSA-N
norman_susdat_id: NS00073937
pubchem_cid: 10085783
smiles: C[Si](C)(C)CC(O)(CN1C=NC=N1)C1=CC=C(F)C=C1
inchi:
InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3


name: Tetrahydrodemethoxydiferuloylmethane
cas: 149579-07-7
chebiid: CHEBI:176651
chemspiderid: 8081692
dtxsid: DTXSID30164341
formula: C20H22O5
inchikey: HJFYFYWETUVIHT-UHFFFAOYSA-N
norman_susdat_id: NS00024893
pubchem_cid: 9906039
smiles: COc1c(O)ccc(CCC(=O)CC(=O)CCc2ccc(O)cc2)c1
inchi:
InChI=1S/C20H22O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,21,24H,4-5,9-10,13H2,1H3


name: N,N'-dihexadecyl-N,N'-bis(2-hydroxyethyl)propanediamide
cas: 149591-38-8
chemspiderid: 28688949
formula: C37H74N2O4
inchikey: CQZOUFLZOOXAML-UHFFFAOYSA-N
norman_susdat_id: NS00006380
pubchem_cid: 57348659
smiles: CCCCCCCCCCCCCCCCNC(=O)CC(=O)N(CCCCCCCCCCCCCCCC)CC(O)O
inchi:
InChI=1S/C37H74N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-35(40)33-36(41)39(34-37(42)43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42-43H,3-34H2,1-2H3,(H,38,40)


name: .beta.-Alanine, N-tetradecyl-
cas: 14960-08-8
chemspiderid: 72444
dtxsid: DTXSID2065832
formula: C17H35N1O2
inchikey: HKJKXDULJBGDED-UHFFFAOYSA-N
norman_susdat_id: NS00013875
pubchem_cid: 80199
smiles: [Na+].CCCCCCCCCCCCCCNCCC([O-])=O
inchi:
InChI=1S/C17H35NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;/h18H,2-16H2,1H3,(H,19,20);/q;+1/p-1


cas: 149606-27-9
chebiid: CHEBI:32135
formula: C39H67N5O6
inchikey: DZMVCVHATYROOS-ZBFGKEHZSA-N
norman_susdat_id: NS00069652
pubchem_cid: 6918315
name:
2-(dimethylamino)-n-(1-{[3-methoxy-1-(2-{1-methoxy-2-methyl-2-[(2-phenylethyl)carbamoyl]ethyl}pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl)-3-methylbutanamide

inchi:
InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1

smiles:
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C


name: Vorinostat
cas: 149647-78-9
chebiid: CHEBI:45716
dtxsid: DTXSID6041133
formula: C14H20N2O3
inchikey: WAEXFXRVDQXREF-UHFFFAOYSA-N
norman_susdat_id: NS00068618
pubchem_cid: 5311
smiles: O=C(CCCCCCC(=O)Nc1ccccc1)NO
inchi:
InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)


name: 1-Fluoro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)benzene
cas: 149652-30-2
dtxsid: DTXSID40896141
formula: C12H4F14O2S
inchikey: OYNKCDZLXSAORO-UHFFFAOYSA-N
norman_susdat_id: NS00110423
smiles: Fc1ccc(cc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H4F14O2S/c13-5-1-3-6(4-2-5)29(27,28)12(25,26)10(20,21)8(16,17)7(14,15)9(18,19)11(22,23)24/h1-4H


cas: 14969-56-3
formula: C48H48N5O3
inchikey: UYQVPCFMVWEDCA-UHFFFAOYSA-M
norman_susdat_id: NS00052409
pubchem_cid: 73372
name:
3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]xanthylium chloride

inchi:
InChI=1/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1

smiles:
[Cl-].O=C(N=C1C=C2OC3=CC(=CC=C3N=C2C=4C=CC=CC14)N(CC)CC)C=5C=CC=CC5C=6C=7C=CC(=CC7[O+]=C8C=C(C=CC86)N(CC)CC)N(CC)CC


name: 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium chloride
cas: 14970-38-8
dtxsid: DTXSID70884778
formula: C16H17N5O3S
inchikey: ULJTXYUETZXPSS-UHFFFAOYSA-M
norman_susdat_id: NS00053724
pubchem_cid: NA
smiles: [Cl-].O=[N+]([O-])C1=CC=C(C=C1)N(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C
inchi:
InChI=1/C16H16N5O3S.ClH/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;/h4-10H,1-3H3;1H/q+1;/p-1


name: 5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium trichlorozincate(1-)
cas: 14970-39-9
formula: C14H21N6.Cl3Zn
inchikey: DYHMUMNVFYZYPX-UHFFFAOYSA-L
norman_susdat_id: NS00086706
smiles: CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C14H22N6.3ClH.Zn/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;;;;/h7-11,14H,5-6H2,1-4H3;3*1H;/q;;;;+2/p-2/rC14H22N6.Cl3Zn/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-4(2)3/h7-11,14H,5-6H2,1-4H3;/q;-1/p+1


name: LBQ-657
cas: 149709-44-4
dtxsid: DTXSID10164369
formula: C22H25NO5
inchikey: DOBNVUFHFMVMDB-BEFAXECRSA-N
norman_susdat_id: NS00068594
smiles: C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O)C(=O)O
inchi:
InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1


name: Sacubitril
cas: 149709-62-6
chebiid: CHEBI:134714
dtxsid: DTXSID20164370
formula: C24H29NO5
inchikey: PYNXFZCZUAOOQC-UTKZUKDTSA-N
norman_susdat_id: NS00069205
pubchem_cid: 9811834
smiles: CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O
inchi:
InChI=1S/C24H29NO5/c1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28)/t17-,21+/m1/s1


name: Benzoic acid, 2-hydroxy-, octadecyl ester (9CI)
cas: 14971-14-3
chemspiderid: 76439
dtxsid: DTXSID40164372
formula: C25H42O3
inchikey: OZAVCEALUDNEKN-UHFFFAOYSA-N
norman_susdat_id: NS00024895
pubchem_cid: 84735
smiles: CCCCCCCCCCCCCCCCCCOC(=O)c1c(O)cccc1
inchi:
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21,26H,2-16,19,22H2,1H3


name: Trisodium hexachlororhodate
cas: 14972-70-4
formula: Cl6Rh.3Na
inchikey: OTXJHECJSSSWRG-UHFFFAOYSA-A
norman_susdat_id: NS00086091
smiles: [Na+].[Na+].[Na+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl
inchi:
InChI=1/18ClH.3Na.3Rh/h18*1H;;;;;;/q;;;;;;;;;;;;;;;;;;3*+1;3*+6/p-18/r3Cl6Rh.3Na/c3*1-7(2,3,4,5)6;;;/q;;;3*+1


name: 8:2 Fluorotelomer sulfonate ammonium salt
cas: 149724-40-3
dtxsid: DTXSID20893350
formula: C10H8F17NO3S
inchikey: QNJQVMDRNCBIRJ-UHFFFAOYSA-N
norman_susdat_id: NS00109651
smiles: [NH4+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H5F17O3S.H3N/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27;/h1-2H2,(H,28,29,30);1H3


name: 4,5-dihydroxy-3,6-bis[(4-methyl-2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid
cas: 14979-11-4
formula: C24H20N4O14S4
inchikey: KVJXQZRHQQUTSM-UHFFFAOYSA-N
norman_susdat_id: NS00052410
pubchem_cid: 135496539
inchi:
InChI=1/C24H20N4O14S4/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)

smiles:
O=S(=O)(O)C1=CC(=CC=C1N=NC2=C(O)C=3C(O)=C(N=NC4=CC=C(C=C4S(=O)(=O)O)C)C(=CC3C=C2S(=O)(=O)O)S(=O)(=O)O)C


name: Tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) phosphate
cas: 149790-22-7
chemspiderid: NA
dtxsid: DTXSID30599058
formula: C30H12F51O4P1
inchikey: LWAHZPPAFSQPGA-UHFFFAOYSA-N
norman_susdat_id: NS00018780
pubchem_cid: 19609746
inchi:
InChI=1S/C30H12F51O4P/c31-7(32,10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)25(67,68)28(73,74)75)1-4-83-86(82,84-5-2-8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(63,64)26(69,70)29(76,77)78)85-6-3-9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(65,66)27(71,72)30(79,80)81/h1-6H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
cas: 1498-88-0
dtxsid: DTXSID70871845
formula: C19H19N2O3
inchikey: PSXPTGAEJZYNFI-UHFFFAOYSA-N
norman_susdat_id: NS00044252
pubchem_cid: 99766
smiles: O=[N+]([O-])C=1C=CC=2OC3(C=CC2C1)N(C=4C=CC=CC4C3(C)C)C
inchi:
InChI=1/C19H18N2O3/c1-18(2)15-6-4-5-7-16(15)20(3)19(18)11-10-13-12-14(21(22)23)8-9-17(13)24-19/h4-12H,1-3H3


name: 1',3'-dihydro-8-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
cas: 1498-89-1
formula: C20H21N2O4
inchikey: IZDVWQPIYXTGIF-UHFFFAOYSA-N
norman_susdat_id: NS00044991
pubchem_cid: 99765
smiles: O=[N+]([O-])C=1C=C(OC)C=2OC3(C=CC2C1)N(C=4C=CC=CC4C3(C)C)C
inchi:
InChI=1/C20H20N2O4/c1-19(2)15-7-5-6-8-16(15)21(3)20(19)10-9-13-11-14(22(23)24)12-17(25-4)18(13)26-20/h5-12H,1-4H3


name: PUBCHEM_16219308
cas: 14982-12-8
chemspiderid: 17346645
dtxsid: DTXSID00585145
formula: C24H32O8
inchikey: QAAKKUWGHXAGFU-UHFFFAOYSA-N
norman_susdat_id: NS00040899
pubchem_cid: 16219308
smiles: [Na].CC12CCC3C(CCc4cc(OC5OC(C(O)C(O)C5O)C(O)=O)ccc34)C1CCC2O
inchi:
InChI=1S/C24H32O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30);


name: Cholestane
cas: 14982-53-7
chebiid: CHEBI:35516
formula: C27H48
inchikey: XIIAYQZJNBULGD-LDHZKLTISA-N
norman_susdat_id: NS00100277
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3


name: DL-Glucuronic acid
cas: 14984-34-0
chemspiderid: 134737
dtxsid: DTXSID60859531
formula: C6H10O7
inchikey: IAJILQKETJEXLJ-UHFFFAOYSA-N
norman_susdat_id: NS00014055
pubchem_cid: NA
smiles: [Na+].O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O
inchi:
InChI=1S/C6H10O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h1-5,8-11H,(H,12,13);/q;+1/p-1/t2-,3+,4-,5-;/m0./s1


name: 1-[2-[(4-chlorophenyl)phenylmethoxy]ethyl]piperidinium chloride
cas: 14984-68-0
chebiid: CHEBI:31420
formula: C20H24ClNO.ClH
inchikey: UNPLRYRWJLTVAE-UHFFFAOYSA-N
norman_susdat_id: NS00085813
smiles: [Cl-].Clc1ccc(cc1)C(OCC[NH+]2CCCCC2)c3ccccc3
inchi:
InChI=1/C20H24ClNO.ClH/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;/h1,3-4,7-12,20H,2,5-6,13-16H2;1H


name: AAL toxin TB
cas: 149849-90-1
dtxsid: DTXSID20891795
formula: C25H47NO9
inchikey: CTXQVLLVFBNZKL-YVEDVMJTSA-N
norman_susdat_id: NS00094873
pubchem_cid: 102004382
smiles: CC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H](CN)O)O)OC(=O)CC(CC(=O)O)C(=O)O)O
inchi:
InChI=1S/C25H47NO9/c1-4-17(3)24(32)21(35-23(31)13-18(25(33)34)12-22(29)30)11-16(2)9-7-5-6-8-10-19(27)14-20(28)15-26/h16-21,24,27-28,32H,4-15,26H2,1-3H3,(H,29,30)(H,33,34)/t16-,17+,18?,19+,20-,21-,24+/m0/s1


cas: 149850-30-6
chemspiderid: 28688982
dtxsid: DTXSID90889003
formula: C21H20N6O7
inchikey: DSYAJHRMVXOBRK-UHFFFAOYSA-N
norman_susdat_id: NS00073824
pubchem_cid: 57348669
smiles: CC(=O)Nc1cc(N(CC(=O)OC)CC(=O)OC)ccc1N=Nc1ccc(N(=O)=O)cc1C#N
name:
methyl n-[3-acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-[(1-methoxy)acetyl]glycinate;methyl n-[3-(acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-(2-methoxy-2-oxoethyl)glycinate;methyl n-[3-acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-[(1-methoxy)acetyl]glycinate methyl n-[3-(acetylamino)-4-(2-cyano-4-nitrophenylazo)phenyl]-n-(2-methoxy-2-oxoethyl)glycinate

inchi:
InChI=1S/C21H20N6O7/c1-13(28)23-19-9-15(26(11-20(29)33-2)12-21(30)34-3)4-7-18(19)25-24-17-6-5-16(27(31)32)8-14(17)10-22/h4-9H,11-12H2,1-3H3,(H,23,28)


cas: 149850-31-7
chemspiderid: NA
formula: C47H40F2N22O14S4
inchikey: NSJXXRKYSQMCAN-HQMKHLFISA-N
norman_susdat_id: NS00006464
pubchem_cid: NA
name:
1,2-bis[4-[4-{4-(4-sulfophenylazo)-2-sulfophenylazo}-2-ureido-phenyl-amino]-6-fluoro-1,3,5-triazin-2-ylamino]propane

inchi:
InChI=1S/C47H40F2N22O14S4/c1-23(53-45-59-41(49)61-47(63-45)57-33-15-7-27(19-37(33)55-43(51)73)69-71-35-17-9-29(21-39(35)89(83,84)85)67-65-25-4-12-31(13-5-25)87(77,78)79)22-52-44-58-40(48)60-46(62-44)56-32-14-6-26(18-36(32)54-42(50)72)68-70-34-16-8-28(20-38(34)88(80,81)82)66-64-24-2-10-30(11-3-24)86(74,75)76/h2-21,23H,22H2,1H3,(H3,50,54,72)(H3,51,55,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H2,52,56,58,60,62)(H2,53,57,59,61,63)/b66-64+,67-65+,70-68+,71-69+

smiles:
CC(CNc1nc(F)nc(Nc2ccc(cc2NC(N)=O)N=Nc2ccc(cc2S(O)(=O)=O)N=Nc2ccc(cc2)S(O)(=O)=O)n1)Nc1nc(F)nc(Nc2ccc(cc2NC(N)=O)N=Nc2ccc(cc2S(O)(=O)=O)N=Nc2ccc(cc2)S(O)(=O)=O)n1


name: Mdl 101
cas: 149859-17-6
dtxsid: DTXSID90869986
formula: C29H37F5N4O6
inchikey: XQAMVCHQGHAELT-YPAWHYETSA-N
norman_susdat_id: NS00072740
pubchem_cid: 46936357
smiles: CC(C)[C@@H](NC(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)C(F)(F)C(F)(F)F)C(C)C
inchi:
InChI=1S/C29H37F5N4O6/c1-16(2)21(23(39)28(30,31)29(32,33)34)35-25(41)20-6-5-11-38(20)27(43)22(17(3)4)36-24(40)18-7-9-19(10-8-18)26(42)37-12-14-44-15-13-37/h7-10,16-17,20-22H,5-6,11-15H2,1-4H3,(H,35,41)(H,36,40)/t20-,21-,22-/m1/s1


name: Hexasodium tetraphosphate
cas: 14986-84-6
formula: H6O13P4.6Na
inchi: InChI=1/6Na.4H3O4P/c;;;;;;4*1-5(2,3)4/h;;;;;;4*(H3,1,2,3,4)/q6*+1;;;;/p-12
inchikey: DKTKMCBVEOWDLJ-UHFFFAOYSA-B
norman_susdat_id: NS00084692
smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


name: 4(perfluorooctyl)-2-butanol
cas: 149868-74-6
dtxsid: DTXSID00893353
formula: C12H9F17O
inchikey: CJFKXWNLDPYAPA-UHFFFAOYSA-N
norman_susdat_id: NS00108938
smiles: CC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H9F17O/c1-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h4,30H,2-3H2,1H3


name: Strontium didocosanoate
cas: 14987-70-3
formula: C22H44O2.1/2Sr
inchikey: AMDWOFASIZJYBK-UHFFFAOYSA-L
norman_susdat_id: NS00084693
smiles: [Sr+2].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C22H44O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2*2-21H2,1H3,(H,23,24);/q;;+2/p-2


name: Bifenazate
cas: 149877-41-8
chebiid: CHEBI:38660
chemspiderid: 154052
dtxsid: DTXSID5032525
formula: C17H20N2O3
inchikey: VHLKTXFWDRXILV-UHFFFAOYSA-N
norman_susdat_id: NS00010595
pubchem_cid: 176879
smiles: CC(C)OC(=O)NNc1cc(ccc1OC)c2ccccc2
inchi:
InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)


name: Anthracene, 9,10-diphenyl-
cas: 1499-10-1
chebiid: CHEBI:51676
chemspiderid: 14430
dtxsid: DTXSID1061734
formula: C26H18
inchikey: FCNCGHJSNVOIKE-UHFFFAOYSA-N
norman_susdat_id: NS00024903
pubchem_cid: 15159
smiles: c1ccc(cc1)c1c2ccccc2c(c2ccccc2)c2c1cccc2
inchi:
InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H


name: Methyltriphenylarsonium iodide
cas: 1499-33-8
formula: C19H18As.I
inchikey: GHLKOMSNOFJXDT-UHFFFAOYSA-M
norman_susdat_id: NS00080895
smiles: [I-].C[As+](c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1


name: 17-a,21-dihydroxy-5-ß-pregnane-3,11,20-trione 21-acetate
cas: 1499-59-8
formula: C23H32O6
inchikey: AZCNJEFLSOQGST-UHFFFAOYSA-N
norman_susdat_id: NS00081553
smiles: CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC12C
inchi:
InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h14,16-17,20,28H,4-12H2,1-3H3


name: Azimilide
cas: 149908-53-2
chebiid: CHEBI:34545
dtxsid: DTXSID10869988
formula: C23H28ClN5O3
inchikey: MREBEPTUUMTTIA-PCLIKHOPSA-N
norman_susdat_id: NS00071650
pubchem_cid: 9571004
smiles: CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1
inchi:
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+


cas: 1499193-66-6
inchikey: PFLRLGPEWNZZAJ-FJDJEQANSA-N
norman_susdat_id: NS00078168
name:
tert-butyl (6S)-6-[4-(7-{2-[(1R,3S,4S)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-5-yl}-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate ethanedioate (1:1)

smiles:
C(C(=O)O)(=O)O.C(C)(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@H]1C1=NC3=C(N1)C=CC(=C3)C3=CC=C1C=4C=CC(=CC4C(C1=C3)(F)F)C=3N=C(NC3)[C@H]3N(CC1(CC1)C3)C(=O)OC(C)(C)C)C2


cas: 1499193-67-7
chemspiderid: NA
formula: C35H32F2N6
inchikey: DKMCUKSJHIRAKX-UHFFFAOYSA-N
norman_susdat_id: NS00002885
pubchem_cid: NA
smiles: FC1(F)c2cc(ccc2-c2ccc(cc12)-c1ccc2nc([nH]c2c1)C1NC2CCC1C2)-c1cnc([nH]1)C1CC2(CC2)CN1
name:
6-(7-(2-((S)-5-azaspiro[2.4]heptan-6-yl)-1H-imidazol-5-yl)-9,9-difluoro-9H-fluoren-2-yl)-2-((1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]imidazole tetrahydrochloride

inchi:
InChI=1S/C35H32F2N6/c36-35(37)25-12-18(19-4-8-27-28(14-19)42-33(41-27)31-21-1-5-22(11-21)40-31)2-6-23(25)24-7-3-20(13-26(24)35)30-16-38-32(43-30)29-15-34(9-10-34)17-39-29/h2-4,6-8,12-14,16,21-22,29,31,39-40H,1,5,9-11,15,17H2,(H,38,43)(H,41,42)


name: 2,6-Di-tert-butylnaphthalene-1-sulphonic acid
cas: 14992-58-6
chebiid: CHEBI:146215
chemspiderid: 76450
dtxsid: DTXSID7048245
formula: C18H24O3S1
inchikey: WBEBQCINXJDZCX-UHFFFAOYSA-N
norman_susdat_id: NS00008033
pubchem_cid: 84746
smiles: CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(O)(=O)=O
inchi:
InChI=1S/C18H24O3S/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21/h7-11H,1-6H3,(H,19,20,21)


name: Sodium dibunate
cas: 14992-59-7
chebiid: CHEBI:31479
formula: C18H24O3S.Na
inchikey: XYEXKDCAGSHWSD-UHFFFAOYSA-M
norman_susdat_id: NS00084703
smiles: [Na+].CC(C)(C)c1ccc2c(c(ccc2c1)C(C)(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O3S.Na/c1-17(2,3)13-8-9-14-12(11-13)7-10-15(18(4,5)6)16(14)22(19,20)21;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1


cas: 149934-21-4
chemspiderid: 23296836
dtxsid: DTXSID80716415
formula: C23H28N4O7
inchikey: LRNDAPDRSWLZSE-IRDJJEOVSA-N
norman_susdat_id: NS00003403
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(N)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(C(O)=N)=C1O)N(C)C
name:
(4S,4aS,5aR,12aR)-9-Amino-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide--hydrogen chloride (1/1)

inchi:
InChI=1S/C23H28N4O7/c1-26(2)12-7-11(24)17(28)14-9(12)5-8-6-10-16(27(3)4)19(30)15(22(25)33)21(32)23(10,34)20(31)13(8)18(14)29/h7-8,10,16,28,30-31,34H,5-6,24H2,1-4H3,(H2,25,33)/t8-,10-,16-,23-/m0/s1


cas: 149935-00-2
dtxsid: DTXSID40882605
norman_susdat_id: NS00110287
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with (2-bromo-1,1,2,2-tetrafluoroethoxy)trifluoroethene, 1,1-difluoroethene, ethene, tetrafluoroethene and trifluoro(trifluoromethoxy)ethene (9CI)


cas: 149935-01-3
dtxsid: DTXSID00108732
norman_susdat_id: NS00108775
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1-difluoroethene, ethene, 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: Emivirine
cas: 149950-60-7
chebiid: CHEBI:44143
dtxsid: DTXSID80164437
formula: C17H22N2O3
inchikey: MLILORUFDVLTSP-UHFFFAOYSA-N
norman_susdat_id: NS00068595
pubchem_cid: 65013
smiles: CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
inchi:
InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)


name: Dimoxystrobin
cas: 149961-52-4
chebiid: CHEBI:83218
chemspiderid: 9111528
dtxsid: DTXSID3057981
formula: C19H22N2O3
inchikey: WXUZAHCNPWONDH-DYTRJAOYSA-N
norman_susdat_id: NS00008293
pubchem_cid: 10936292
smiles: CNC(=O)C(=N\OC)\C1=CC=CC=C1COC1=C(C)C=CC(C)=C1
eea_notation: CAS_149961-52-4
inchi:
InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)/b21-18+


name: N-[3-(Dimethylamino)propyl]docos-13-enamide
cas: 149968-48-9
chemspiderid: 23349851
dtxsid: DTXSID50772422
formula: C27H54N2O1
inchikey: AOKZLBCDXJYXOK-UHFFFAOYSA-N
norman_susdat_id: NS00003231
pubchem_cid: 71346293
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)


name: N-benzyloxycarbonyl-L-histidine
cas: 14997-58-1
formula: C14H15N3O4
inchikey: WCOJOHPAKJFUDF-LBPRGKRZSA-N
norman_susdat_id: NS00051681
pubchem_cid: 736313
smiles: O=C(O)C(NC(=O)OCC=1C=CC=CC1)CC=2N=CNC2
inchi:
InChI=1/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)


name: Tepraloxydim
cas: 149979-41-9
chemspiderid: 11677300
dtxsid: DTXSID7034252
formula: C17H24Cl1N1O4
inchikey: IOYNQIMAUDJVEI-ZFNPBRLTSA-N
norman_susdat_id: NS00000562
pubchem_cid: NA
smiles: CC/C(=NOCC=CCl)/C=1C(=O)CC(CC=1O)C2CCOCC2
inchi:
InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+


name: Terbogrel
cas: 149979-74-8
dtxsid: DTXSID40869991
formula: C23H27N5O2
inchikey: XUTLOCQNGLJNSA-RGVLZGJSSA-N
norman_susdat_id: NS00070523
pubchem_cid: 6449876
smiles: CC(C)(C)N/C(=N/c1cccc(/C(=CCCCC(=O)O)c2cccnc2)c1)NC#N
inchi:
InChI=1S/C23H27N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-11,13-15H,4-5,12H2,1-3H3,(H,29,30)(H2,26,27,28)/b20-11+


name: N,N'-bis(Perfluorobutanoyl)1,3-propanediamine
cas: 149981-59-9
dtxsid: DTXSID00897018
formula: C11H8F14N2O2
inchikey: FLHPCAVTMZPEEL-UHFFFAOYSA-N
norman_susdat_id: NS00109092
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H8F14N2O2/c12-6(13,8(16,17)10(20,21)22)4(28)26-2-1-3-27-5(29)7(14,15)9(18,19)11(23,24)25/h1-3H2,(H,26,28)(H,27,29)


name: Bis(2-ammonio-2-deoxy-D-glucose) sulphate
cas: 14999-43-0
formula: C6H13NO5.1/2H2O4S
inchi: InChI=1/2C6H13NO5.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;(H2,1,2,3,4)
inchikey: WLNBMPZUVDTASE-HXIISURNSA-N
norman_susdat_id: NS00085126
smiles:
[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[NH3+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]S(=O)(=O)[O-]


cas: 14999-97-4
dtxsid: DTXSID60884782
formula: C70H28N4O10
inchikey: PDBRTZGDLFWTSP-UHFFFAOYSA-N
norman_susdat_id: NS00051823
pubchem_cid: 56842227
name:
6,8,25,27-tetrahydrobisnaphtho[2',3':6,7]indolo[2,3-c:2',3'-c']dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-5,7,9,14,19,24,26,28,33,38-decaone

inchi:
InChI=1/C70H28N4O10/c75-45-13-5-7-25-15-33-35(17-31(25)45)59-41(21-47(33)77)51-57-55-49(79)23-43-53(69(83)29-11-3-1-9-27(29)67(43)81)65(55)73-63(57)39-19-38-40(20-37(39)61(51)71-59)64-58(56-50(80)24-44-54(66(56)74-64)70(84)30-12-4-2-10-28(30)68(44)82)52-42-22-48(78)34-16-26-8-6-14-46(76)32(26)18-36(34)60(42)72-62(38)52/h1-20H,21-24H2

smiles:
O=C1C=CC=C2C=C3C(=O)CC=4C(N=C5C6=CC7=C8N=C9C(C(=O)CC=%10C(=O)C=%11C=CC=CC%11C(=O)C9%10)=C8C=%12C(=NC%13=C%14C=C%15C(=O)C=CC=C%15C=C%14C(=O)CC%13%12)C7=CC6=C%16N=C%17C(C(=O)CC=%18C(=O)C=%19C=CC=CC%19C(=O)C%17%18)=C%16C54)=C3C=C12


name: p-anilinobenzenediazonium sulphate (2:1)
cas: 150-33-4
formula: C12H10N3.1/2O4S
inchikey: QBAQKRUAIKKDST-UHFFFAOYSA-L
norman_susdat_id: NS00079273
smiles: [O-]S(=O)(=O)[O-].N#[N+]c1ccc(Nc2ccccc2)cc1.N#[N+]c3ccc(Nc4ccccc4)cc3
inchi:
InChI=1/2C12H10N3.H2O4S/c2*13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-9,14H;(H2,1,2,3,4)/q2*+1;/p-2


name: Trisodium hydrogen ethylenediaminetetraacetate
cas: 150-38-9
chebiid: CHEBI:63125
formula: C10H16N2O8.3Na
inchikey: QZKRHPLGUJDVAR-UHFFFAOYSA-K
norman_susdat_id: NS00079280
smiles: [H+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
inchi:
InChI=1/C10H16N2O8.3Na.H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;1H/q;4*+1/p-4


name: (2-Hydroxyethyl)ethylenediaminetriacetic acid
cas: 150-39-0
chemspiderid: 8443
dtxsid: DTXSID1059737
formula: C10H18N2O7
inchikey: URDCARMUOSMFFI-UHFFFAOYSA-N
norman_susdat_id: NS00008606
pubchem_cid: 8773
smiles: OCCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
inchi:
InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)


name: Alverine
cas: 150-59-4
chebiid: CHEBI:518413
chemspiderid: 3550
dtxsid: DTXSID0048557
formula: C20H27N1
inchikey: ZPFXAOWNKLFJDN-UHFFFAOYSA-N
norman_susdat_id: NS00010383
pubchem_cid: 3678
smiles: CCN(CCCc1ccccc1)CCCc2ccccc2
inchi:
InChI=1S/C20H27N/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20/h3-8,11-14H,2,9-10,15-18H2,1H3


name: (tetrahydro-3-furyl)methyl oleate
cas: 150-81-2
formula: C23H42O3
inchikey: NSMHOFMBVBYNJX-KTKRTIGZSA-N
norman_susdat_id: NS00041327
pubchem_cid: 21160037
smiles: O=C(OCC1COCC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C23H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)26-21-22-18-19-25-20-22/h9-10,22H,2-8,11-21H2,1H3


name: Phytol
cas: 150-86-7
chebiid: CHEBI:17327
chemspiderid: 4444094
dtxsid: DTXSID1040586
formula: C20H40O1
inchikey: BOTWFXYSPFMFNR-PYDDKJGSSA-N
norman_susdat_id: NS00005387
pubchem_cid: 5280435
smiles: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCO
inchi:
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1


name: O-butyl hydrogen dithiocarbonate , zinc salt
cas: 150-88-9
formula: C5H10OS2.1/2Zn
inchikey: NEYNBSGIXOOZGZ-UHFFFAOYSA-L
norman_susdat_id: NS00079274
smiles: CCCCOC(=S)S[Zn]SC(=S)OCCCC
inchi:
InChI=1/2C5H10OS2.Zn/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H,7,8);/q;;+2/p-2/rC10H18O2S4Zn/c1-3-5-7-11-9(13)15-17-16-10(14)12-8-6-4-2/h3-8H2,1-2H3


name: 2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium methyl sulphate
cas: 15000-59-6
formula: C17H19N4OS.CH3O4S
inchikey: AQSURVRJJSLSOC-UHFFFAOYSA-M
norman_susdat_id: NS00085872
smiles: [O-]S(=O)(=O)OC.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C17H19N4OS.CH4O4S/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-5-6(2,3)4/h5-11H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Hyrcanoside
cas: 15001-93-1
chemspiderid: 10055345
formula: C34H48O14
inchikey: HFXNSSUZFCOFIY-XOHMQVQDSA-N
norman_susdat_id: NS00093791
pubchem_cid: 8230904
smiles:
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5=C[C@H](CC[C@]35C=O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O


name: Chromopyrrolic acid
cas: 150044-68-1
chebiid: CHEBI:41625
dtxsid: DTXSID90462496
formula: C22H15N3O4
inchikey: FZDVNXHYGMEEDT-UHFFFAOYSA-N
norman_susdat_id: NS00070839
pubchem_cid: 11326613
smiles: O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
inchi:
InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)


name: 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester, monolithium salt
cas: 150099-94-8
dtxsid: DTXSID20893239
formula: C12H13LiO9S
inchikey: ZTFGVIAJMLPQOC-UHFFFAOYSA-M
norman_susdat_id: NS00113568
smiles: [Li+].OCCOC(=O)C1=CC(=CC(=C1)C(=O)OCCO)S([O-])(=O)=O
inchi:
InChI=1S/C12H14O9S.Li/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1


cas: 15012-28-9
formula: C23H16Cl2O6
inchikey: IRQJHUBPRAPSRP-UHFFFAOYSA-N
norman_susdat_id: NS00084722
smiles: OC(=O)c1cc(cc(C)c1O)C(c2c(Cl)cccc2Cl)=C/3/C=C(/C)C(=O)\C(=C\3)C(O)=O
name:
5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-3-methylsalicylic acid

inchi:
InChI=1/C23H16Cl2O6/c1-10-6-12(8-14(20(10)26)22(28)29)18(19-16(24)4-3-5-17(19)25)13-7-11(2)21(27)15(9-13)23(30)31/h3-9,26H,1-2H3,(H,28,29)(H,30,31)


cas: 150135-57-2
dtxsid: DTXSID70882673
norman_susdat_id: NS00111317
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with Bu acrylate, .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate and polyethylene glycol monomethacrylate, 2,2'-azobis[2,4-dimethylpentanenitrile]-initiated


name: Sodium hexadecane-1-sulphonate
cas: 15015-81-3
formula: C16H34O3S.Na
inchikey: WDAUHVCKBXGWBW-UHFFFAOYSA-H
norman_susdat_id: NS00085024
inchi:
InChI=1/6C10H22O3S.6Na/c6*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;;/h6*2-10H2,1H3,(H,11,12,13);;;;;;/q;;;;;;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-]


name: 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
cas: 15015-84-6
dtxsid: DTXSID20933881
formula: C18H26O10
inchikey: MQRVKGYHPHKTKS-UHFFFAOYSA-N
norman_susdat_id: NS00051316
pubchem_cid: NA
smiles: O=C(OCC(CO)(CO)CO)C=1C=CC=CC1C(=O)OCC(CO)(CO)CO
inchi:
InChI=1/C18H26O10/c19-5-17(6-20,7-21)11-27-15(25)13-3-1-2-4-14(13)16(26)28-12-18(8-22,9-23)10-24/h1-4,19-24H,5-12H2


name: 1,4-Benzenediamine, N,N'-bis(2-methylphenyl)-
cas: 15017-02-4
chemspiderid: 76460
dtxsid: DTXSID1065843
formula: C20H20N2
inchikey: MDZBMZIJIUEQJS-UHFFFAOYSA-N
norman_susdat_id: NS00024910
pubchem_cid: 84756
smiles: Cc1ccccc1Nc1ccc(Nc2c(C)cccc2)cc1
inchi:
InChI=1S/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3


name: Thioketal haloperidol
cas: 150176-80-0
dtxsid: DTXSID30164482
formula: C23H27ClFNOS2
inchikey: KVDKNVPAAQKHKD-UHFFFAOYSA-N
norman_susdat_id: NS00068834
pubchem_cid: 127702
smiles: OC1(c2ccc(Cl)cc2)CCN(CCCC2(c3ccc(F)cc3)SCCS2)CC1
inchi:
InChI=1S/C23H27ClFNOS2/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2


name: (-)-Heroin hydrochloride
cas: 1502-95-0
dtxsid: DTXSID2048909
formula: C21H24ClNO5
inchikey: FZJYQGFGNHGSFX-PVQKIFDLSA-N
norman_susdat_id: NS00076240
smiles: Cl.CN1CC[C@]23[C@H]4OC5=C(OC(C)=O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4OC(C)=O)=C35
inchi:
InChI=1S/C21H23NO5.ClH/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20;/h4-7,14-15,17,20H,8-10H2,1-3H3;1H/t14-,15+,17-,20-,21-;/m0./s1


name: (Perfluorooctyl)propyl acetate
cas: 150225-00-6
chemspiderid: 2062569
dtxsid: DTXSID80382073
formula: C13H9F17O2
inchikey: SMQMUBNEBGDJAY-UHFFFAOYSA-N
norman_susdat_id: NS00018781
pubchem_cid: 2782414
smiles: CC(=O)OCCCC(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/C13H9F17O2/c1-5(31)32-4-2-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-4H2,1H3


cas: 150225-65-3
dtxsid: DTXSID20896745
formula: C19H11F17N2O3
inchikey: NPGWPCYQBUMSNZ-UHFFFAOYSA-N
norman_susdat_id: NS00109797
smiles: CC(=O)Nc1cc(NC(C)=O)cc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1
name:
N,N'-(5-{[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}-1,3-phenylene)diacetamide

inchi:
InChI=1S/C19H11F17N2O3/c1-6(39)37-8-3-9(38-7(2)40)5-10(4-8)41-12(15(22,23)24)11(13(20,16(25,26)27)17(28,29)30)14(21,18(31,32)33)19(34,35)36/h3-5H,1-2H3,(H,37,39)(H,38,40)


name: Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone
cas: 1503-48-6
chemspiderid: 66552
dtxsid: DTXSID8044838
formula: C20H10N2O4
inchikey: KSLLMGLKCVSKFF-UHFFFAOYSA-N
norman_susdat_id: NS00006267
pubchem_cid: 73920
smiles: O=C1c2[nH]c3ccccc3c(=O)c2C(=O)c2[nH]c3ccccc3c(=O)c12
inchi:
InChI=1S/C20H10N2O4/c23-17-9-5-1-3-7-11(9)21-15-13(17)19(25)16-14(20(15)26)18(24)10-6-2-4-8-12(10)22-16/h1-8H,(H,21,23)(H,22,24)


name: Flupyrsulfuron
cas: 150315-10-9
chemspiderid: 117299
dtxsid: DTXSID8057982
formula: C14H12F3N5O7S1
inchikey: HCNBYBFTNHEQQJ-UHFFFAOYSA-N
norman_susdat_id: NS00009465
pubchem_cid: 132910
smiles: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2nc(ccc2C(O)=O)C(F)(F)F)n1
inchi:
InChI=1S/C14H12F3N5O7S/c1-28-8-5-9(29-2)20-12(19-8)21-13(25)22-30(26,27)10-6(11(23)24)3-4-7(18-10)14(15,16)17/h3-5H,1-2H3,(H,23,24)(H2,19,20,21,22,25)


name: prasugrel
cas: 150322-43-3
chebiid: CHEBI:87723
chemspiderid: 5293653
formula: C20H20F1N1O3S1
inchikey: DTGLZDAWLRGWQN-UHFFFAOYSA-N
norman_susdat_id: NS00009898
pubchem_cid: 6918456
smiles: CC(=O)Oc1cc2CN(CCc2s1)C(C(=O)C1CC1)c1ccccc1F
inchi:
InChI=1S/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3


name: 2,2,3,3,4,4,5,5,5-Nonafluoro-N-(4-nitrophenyl)pentanamide
cas: 150333-62-3
dtxsid: DTXSID90896171
formula: C11H5F9N2O3
inchikey: ODCGSXFIHQYHBY-UHFFFAOYSA-N
norman_susdat_id: NS00112146
smiles: [O-][N+](=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C11H5F9N2O3/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(23)21-5-1-3-6(4-2-5)22(24)25/h1-4H,(H,21,23)


name: Vaptan | Relcovaptan
cas: 150375-75-0
chebiid: CHEBI:93701
dtxsid: DTXSID40861399
formula: C28H27Cl2N3O7S
inchikey: CEBYCSRFKCEUSW-NAYZPBBASA-N
norman_susdat_id: NS00069594
pubchem_cid: 60943
smiles: COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](O)(c3ccccc3Cl)[C@@H]2C(=O)N2CCC[C@H]2C(N)=O)cc1OC
inchi:
InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1


name: Indinavir
cas: 150378-17-9
chemspiderid: 4515036
dtxsid: DTXSID4043802
formula: C36H47N5O4
inchikey: CBVCZFGXHXORBI-NPEQWFDUSA-N
norman_susdat_id: NS00006974
pubchem_cid: 60944
smiles: CC(C)(C)N=C(O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@H](Cc1ccccc1)C(O)=N[C@@H]1[C@H](O)Cc2ccccc12
inchi:
InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29-,31-,32+,33-/m0/s1


cas: 150409-17-9
dtxsid: DTXSID50882777
norman_susdat_id: NS00110643
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with Bu acrylate, .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate and polyethylene glycol monomethacrylate


cas: 150409-18-0
dtxsid: DTXSID30882750
norman_susdat_id: NS00109959
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with acrylonitrile, .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate, polyethylene glycol monomethacrylate and styrene


cas: 150409-19-1
dtxsid: DTXSID80882720
norman_susdat_id: NS00111665
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with Me methacrylate, .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate, polyethylene glycol monomethacrylate and stearyl methacrylate


cas: 150449-03-9
norman_susdat_id: NS00113575
name:
1,3-Butanediol, polymer with 1,1-methylenebis[isocyanatobenzene], [(1-methyl-1,2-ethanediyl)bis(oxy)]bis[propanol] and 1,2-propanediol


name: Fipamezole
cas: 150586-58-6
dtxsid: DTXSID00869997
formula: C14H15FN2
inchikey: KXSUAWAUCNFBQJ-CQSZACIVSA-N
norman_susdat_id: NS00069153
pubchem_cid: 40461302
smiles: CC[C@@]1(c2c[nH]cn2)Cc2ccc(F)cc2C1
inchi:
InChI=1S/C14H15FN2/c1-2-14(13-8-16-9-17-13)6-10-3-4-12(15)5-11(10)7-14/h3-5,8-9H,2,6-7H2,1H3,(H,16,17)/t14-/m1/s1


name: N-octadecylacrylamide
cas: 1506-54-3
dtxsid: DTXSID50934008
formula: C21H41NO
inchikey: CNWVYEGPPMQTKA-UHFFFAOYSA-N
norman_susdat_id: NS00045086
pubchem_cid: 73930
smiles: O=C(C=C)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl 2-methylprop-2-enoate
cas: 150625-20-0
dtxsid: DTXSID60895914
formula: C15H11F17O2
inchikey: QOIKFYLOUXBJNG-UHFFFAOYSA-N
norman_susdat_id: NS00111076
smiles: CC(=C)C(=O)OCCCC(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/C15H11F17O2/c1-6(2)7(33)34-5-3-4-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1,3-5H2,2H3


name: tolvaptan
cas: 150683-30-0
chemspiderid: 391976
formula: C26H25Cl1N2O3
inchikey: GYHCTFXIZSNGJT-XMMPIXPASA-N
norman_susdat_id: NS00004184
pubchem_cid: 443894
smiles: Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc23)c(C)c1
inchi:
InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1


name: Sodium (Z)-octadec-9-ene-1-sulphonate
cas: 15075-85-1
formula: C18H36O3S.Na
inchikey: HDRLZNWDSGYGBZ-KVVVOXFISA-M
norman_susdat_id: NS00085026
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCCS(=O)(=O)[O-]
inchi:
InChI=1/C18H36O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1


name: Bis(8-hydroxyquinolyl) sulphate, monopotassium salt
cas: 15077-57-3
formula: C18H12N2O6S
inchikey: XEXOLMAUWVAZGX-UHFFFAOYSA-N
norman_susdat_id: NS00052549
pubchem_cid: NA
smiles: [K+].O=S(=O)(OC=1N=C2C(O)=CC=CC2=CC1)OC=3N=C4C(O)=CC=CC4=CC3
inchi:
InChI=1/C18H12N2O6S.K/c21-13-5-1-3-11-7-9-15(19-17(11)13)25-27(23,24)26-16-10-8-12-4-2-6-14(22)18(12)20-16;/h1-10,21-22H;/q;+1


name: Mitopodozide
cas: 1508-45-8
chebiid: CHEBI:135764
chemspiderid: 220467
dtxsid: DTXSID9021211
formula: C24H30N2O8
inchikey: CPTIBDHUFVHUJK-NZYDNVMFSA-N
norman_susdat_id: NS00024926
pubchem_cid: 251643
smiles: CCNNC(=O)[C@H]1[C@H](CO)[C@@H](O)c2c(cc3OCOc3c2)[C@H]1c1cc(OC)c(OC)c(OC)c1
inchi:
InChI=1S/C24H30N2O8/c1-5-25-26-24(29)21-15(10-27)22(28)14-9-17-16(33-11-34-17)8-13(14)20(21)12-6-18(30-2)23(32-4)19(7-12)31-3/h6-9,15,20-22,25,27-28H,5,10-11H2,1-4H3,(H,26,29)/t15-,20+,21-,22-/m0/s1


name: Oxybutynin chloride
cas: 1508-65-2
chebiid: CHEBI:7857
dtxsid: DTXSID3045356
formula: C22H32ClNO3
inchikey: SWIJYDAEGSIQPZ-UHFFFAOYSA-N
norman_susdat_id: NS00076272
smiles: Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
inchi:
InChI=1/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H


name: Tropicamide
cas: 1508-75-4
chebiid: CHEBI:9757
chemspiderid: 5391
dtxsid: DTXSID8045220
formula: C17H20N2O2
inchikey: BGDKAVGWHJFAGW-UHFFFAOYSA-N
norman_susdat_id: NS00005569
pubchem_cid: 5593
smiles: CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3


name: Procyclidine hydrochloride
cas: 1508-76-5
chebiid: CHEBI:8449
formula: C19H29NO.ClH
inchikey: ZFSPFXJSEHCTTR-UHFFFAOYSA-N
norman_susdat_id: NS00081554
smiles: Cl.OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3
inchi:
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H


name: Ezogabine
cas: 150812-12-7
chebiid: CHEBI:68584
chemspiderid: 108740
dtxsid: DTXSID40164615
formula: C16H18F1N3O2
inchikey: PCOBBVZJEWWZFR-UHFFFAOYSA-N
norman_susdat_id: NS00040686
pubchem_cid: 121892
smiles: CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
inchi:
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)


name: 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-
cas: 15082-28-7
chemspiderid: 76483
dtxsid: DTXSID5065851
formula: C24H22N2O1
inchikey: XZCJVWCMJYNSQO-UHFFFAOYSA-N
norman_susdat_id: NS00024925
pubchem_cid: 84782
smiles: CC(C)(C)c1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1ccccc1
inchi:
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3


cas: 1508339-76-1
chemspiderid: 34245897
dtxsid: DTXSID40873033
formula: C22H21Cl2F3N2O1
inchikey: VUBUDJCRCAHMBH-FOIQADDNSA-N
norman_susdat_id: NS00015605
pubchem_cid: 53316381
smiles: C1CN2CCC1C(C2)C(C3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4Cl)C(F)(F)F)Cl
name:
N-[(S)-[(3S)-1-Azabicyclo[2.2.2]octan-3-yl](phenyl)methyl]-2,6-dichloro-3-(trifluoromethyl)benzamide

inchi:
InChI=1S/C22H21Cl2F3N2O/c23-17-7-6-16(22(25,26)27)19(24)18(17)21(30)28-20(14-4-2-1-3-5-14)15-12-29-10-8-13(15)9-11-29/h1-7,13,15,20H,8-12H2,(H,28,30)/t15-,20-/m1/s1


cas: 15086-20-1
formula: C22H23N2S2.C7H7O3S
inchikey: PVRZIWDHDSZPFF-UHFFFAOYSA-M
norman_susdat_id: NS00084734
smiles: [O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4sc3C=C(C)C=C2Sc1ccccc1N2CC
name:
3-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]benzothiazolium p-toluenesulphonate

inchi:
InChI=1/C22H23N2S2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h6-15H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 2',4',5',7'-Tetrabromofluorescein
cas: 15086-94-9
chebiid: CHEBI:39078
chemspiderid: 25161
dtxsid: DTXSID3044590
formula: C20H8Br4O5
inchikey: DBZJJPROPLPMSN-UHFFFAOYSA-N
norman_susdat_id: NS00007125
pubchem_cid: 27020
smiles: Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3ccccc23)c1Br
inchi:
InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H


name: N-(5-(2,3-dihydrobenzofuryl)sulfonyl)-N'-(3,4-dichlorophenyl)urea
cas: 150869-74-2
dtxsid: DTXSID20164633
formula: C15H12Cl2N2O4S
inchikey: VAMFSFIPDOODFH-UHFFFAOYSA-N
norman_susdat_id: NS00068347
pubchem_cid: 127737
smiles: O=S(=O)(/N=C(O)Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCO2
inchi:
InChI=1S/C15H12Cl2N2O4S/c16-12-3-1-10(8-13(12)17)18-15(20)19-24(21,22)11-2-4-14-9(7-11)5-6-23-14/h1-4,7-8H,5-6H2,(H2,18,19,20)


name: 3-Benzylidenebornan-2-one
cas: 15087-24-8
chemspiderid: 4739980
dtxsid: DTXSID90864552
formula: C17H20O1
inchikey: OIQXFRANQVWXJF-ACCUITESSA-N
norman_susdat_id: NS00007245
pubchem_cid: 5901612
smiles: CC1(C)C2CCC1(C)C(=O)C2=Cc1ccccc1
inchi:
InChI=1S/C17H20O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/b13-11+


name: Propanenitrile, 3-[[2-(benzoyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-
cas: 15087-68-0
chemspiderid: 76485
dtxsid: DTXSID0065854
formula: C24H20Cl1N5O4
inchikey: GGZWNOLYDCKMNW-UHFFFAOYSA-N
norman_susdat_id: NS00024927
pubchem_cid: 84784
smiles: [O-][N+](=O)c1cc(Cl)c(cc1)N=Nc1ccc(cc1)N(CCOC(=O)c1ccccc1)CCC#N
inchi:
InChI=1S/C24H20ClN5O4/c25-22-17-21(30(32)33)11-12-23(22)28-27-19-7-9-20(10-8-19)29(14-4-13-26)15-16-34-24(31)18-5-2-1-3-6-18/h1-3,5-12,17H,4,14-16H2/b28-27+


name: 2-[[4-[(2-cyano-3-nitrophenyl)azo]phenyl](2-cyanoethyl)amino]ethyl benzoate
cas: 15087-70-4
formula: C25H21N6O4
inchikey: WNSXIADERNCBPB-UHFFFAOYSA-N
norman_susdat_id: NS00052586
pubchem_cid: 57348708
smiles: N#CC=1C(N=NC2=CC=C(C=C2)N(CCC#N)CCOC(=O)C=3C=CC=CC3)=CC=CC1[N+](=O)[O-]
inchi:
InChI=1/C25H20N6O4/c26-14-5-15-30(16-17-35-25(32)19-6-2-1-3-7-19)21-12-10-20(11-13-21)28-29-23-8-4-9-24(31(33)34)22(23)18-27/h1-4,6-13H,5,15-17H2


name: Butyrophenone, 5'-methyl-3',3'''-methylenebis(2',6'-dihydroxy-4'-methoxy-
cas: 1509-10-0
chemspiderid: 14456
dtxsid: DTXSID70164643
formula: C24H30O8
inchikey: ABJZJBCLEZJOTC-UHFFFAOYSA-N
norman_susdat_id: NS00094767
pubchem_cid: 15190
smiles: CCCC(=O)C1=C(O)C(CC2=C(OC)C(C)=C(O)C(C(=O)CCC)=C2O)=C(OC)C=C1O
inchi:
InChI=1S/C24H30O8/c1-6-8-15(25)19-17(27)11-18(31-4)13(22(19)29)10-14-23(30)20(16(26)9-7-2)21(28)12(3)24(14)32-5/h11,27-30H,6-10H2,1-5H3


cas: 150919-56-5
chemspiderid: NA
formula: C37H60N4O6
inchikey: JDIUCAYZFZBZRQ-UHFFFAOYSA-N
norman_susdat_id: NS00004506
pubchem_cid: 21344531
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)C(N2C(=O)NC(C)(C)C2=O)C(=O)C(C)(C)C)c1
name:
N-(3-(2-(4,4-dimethyl-2,5-dioxo-imidazolin-1-yl)-4,4-dimethyl-3-oxo-pentanoylamino)-4-methoxy-phenyl)-octadecanamide

inchi:
InChI=1S/C37H60N4O6/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(42)38-27-24-25-29(47-7)28(26-27)39-33(44)31(32(43)36(2,3)4)41-34(45)37(5,6)40-35(41)46/h24-26,31H,8-23H2,1-7H3,(H,38,42)(H,39,44)(H,40,46)


cas: 150928-21-5
chemspiderid: 16232526
formula: C18H18Cl1I3N2O8
inchikey: XQIOTXLQVLNJHR-UHFFFAOYSA-N
norman_susdat_id: NS00008972
pubchem_cid: 23186519
smiles: COCC(=O)Nc1c(I)c(C(Cl)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I
name:
Benzoyl chloride, 3-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-

inchi:
InChI=1S/C18H18ClI3N2O8/c1-7(25)31-5-9(32-8(2)26)4-23-18(29)12-13(20)11(17(19)28)14(21)16(15(12)22)24-10(27)6-30-3/h9H,4-6H2,1-3H3,(H,23,29)(H,24,27)


name: 3-Azageranylgeranyl diphosphate
cas: 150942-60-2
dtxsid: DTXSID70332249
formula: C19H37NO7P2
inchikey: OEMBPHBKZPOPBN-NWLVNBMCSA-N
norman_susdat_id: NS00070847
pubchem_cid: 447278
smiles: CC(C)=CCC/C(C)=C/CC/C(C)=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O
inchi:
InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+


name: 1H-Pyrazole-3-carboxylic acid, 4-hydroxy-1-phenyl-5-(phenylazo)-, ethyl ester
cas: 15096-02-3
dtxsid: DTXSID0065856
formula: C18H16N4O3
inchikey: OWYTYDUDULWGQR-UHFFFAOYSA-N
norman_susdat_id: NS00051378
pubchem_cid: 84790
smiles: O=C(OCC)C1=NN(C=2C=CC=CC2)C(N=NC=3C=CC=CC3)=C1O
inchi:
InChI=1/C18H16N4O3/c1-2-25-18(24)15-16(23)17(20-19-13-9-5-3-6-10-13)22(21-15)14-11-7-4-8-12-14/h3-12,23H,2H2,1H3


name: N2,N6-bis(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)
cas: 15098-69-8
dtxsid: DTXSID00934134
formula: C16H30N2O6
inchikey: HRLHJTYAMCGERD-MERQFXBCSA-N
norman_susdat_id: NS00051868
pubchem_cid: 294904
smiles: O=C(OC(C)(C)C)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C16H30N2O6.C12H23N/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2


name: Butyl (9Z,12R)-12-hydroxyoctadec-9-enoate
cas: 151-13-3
chemspiderid: 4510408
dtxsid: DTXSID9051741
formula: C22H42O3
inchikey: HGWAKQDTQVDVRP-OKULMJQMSA-N
norman_susdat_id: NS00021682
pubchem_cid: 5354175
smiles: CCCCCCC(O)C/C=CCCCCCCCC(=O)OCCCC
inchi:
InChI=1S/C22H42O3/c1-3-5-7-14-17-21(23)18-15-12-10-8-9-11-13-16-19-22(24)25-20-6-4-2/h12,15,21,23H,3-11,13-14,16-20H2,1-2H3/b15-12-/t21-/m1/s1


name: Dinonyl adipate
cas: 151-32-6
chemspiderid: 8678
dtxsid: DTXSID5059743
formula: C24H46O4
inchikey: WIYAGHSNPUBKDT-UHFFFAOYSA-N
norman_susdat_id: NS00020478
pubchem_cid: 9029
smiles: CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC
inchi:
InChI=1S/C24H46O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3


name: 2-methoxyethylmercury acetate
cas: 151-38-2
formula: C5H10HgO3
inchikey: AGJBKFAPBKOEGA-UHFFFAOYSA-M
norman_susdat_id: NS00079478
smiles: COCC[Hg+].CC(=O)[O-]
inchi:
InChI=1/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1/rC3H7HgO.C2H4O2/c1-5-3-2-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)/q+1;/p-1


cas: 151-73-5
formula: C22H30FO8P.2Na
inchikey: PLCQGRYPOISRTQ-LWCNAHDDSA-N
norman_susdat_id: NS00079486
name:
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (11ß,16ß)-

inchi:
InChI=1/C22H30FO8P.2Na/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);;/q;2*+1

smiles:
[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O


name: Methohexital
cas: 151-83-7
chebiid: CHEBI:102216
chemspiderid: 8683
dtxsid: DTXSID1023287
formula: C14H18N2O3
inchikey: NZXKDOXHBHYTKP-UHFFFAOYSA-N
norman_susdat_id: NS00006329
pubchem_cid: 9034
smiles: CCC#CC(C)C1(CC=C)C(=O)NC(=O)N(C)C1=O
inchi:
InChI=1S/C14H18N2O3/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)


name: Bis[cholest-5-en-3ß-yl] succinate
cas: 1510-20-9
formula: C58H94O4
inchikey: PRGHALIMOGZFFF-NTVQCMJZSA-N
norman_susdat_id: NS00045087
pubchem_cid: 23624095
inchi:
InChI=1/C58H94O4/c1-37(2)13-11-15-39(5)47-21-23-49-45-19-17-41-35-43(27-31-55(41,7)51(45)29-33-57(47,49)9)61-53(59)25-26-54(60)62-44-28-32-56(8)42(36-44)18-20-46-50-24-22-48(40(6)16-12-14-38(3)4)58(50,10)34-30-52(46)56/h17-18,37-40,43-52H,11-16,19-36H2,1-10H3

smiles:
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCC(=O)OC5CC6=CCC7C(CCC8(C)C(CCC78)C(C)CCCC(C)C)C6(C)CC5


name: Cholest-5-en-3ß-yl hydrogen succinate
cas: 1510-21-0
chebiid: CHEBI:138742
dtxsid: DTXSID10934145
formula: C31H50O4
inchikey: WLNARFZDISHUGS-MIXBDBMTSA-N
norman_susdat_id: NS00045568
pubchem_cid: 65082
smiles: O=C(O)CCC(=O)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)


cas: 151006-11-0
inchikey: ULYXRWWCKJQKDU-IYNICTALSA-N
norman_susdat_id: NS00078171
smiles: O[C@@H](CC(=O)[O-])C[C@@H](CC[C@H]1[C@H](C=CC2=C[C@H](C[C@@H]([C@H]12)OC([C@H](CC)C)=O)O)C)O.[NH4+]
name:
Ammonium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate


name: 1H-Imidazole-5-methanol, 1-[(4-bromophenyl)methyl]-2-butyl-4-chloro-
cas: 151012-31-6
chemspiderid: 24746833
formula: C15H20Br1Cl1N2O1
inchikey: DYIJKOZDPIUEEU-UHFFFAOYSA-N
norman_susdat_id: NS00010187
pubchem_cid: 53249326
smiles: CCCCC1NC(CO)=C(Cl)N1Cc1ccc(Br)cc1
inchi:
InChI=1S/C15H20BrClN2O/c1-2-3-4-14-18-13(10-20)15(17)19(14)9-11-5-7-12(16)8-6-11/h5-8,14,18,20H,2-4,9-10H2,1H3


name: Cis-tetracosenoyl sulfatide
cas: 151057-28-2
chebiid: CHEBI:41539
formula: C48H91NO11S
inchikey: ZZQWQNAZXFNSEP-JCOQVFCVSA-N
norman_susdat_id: NS00073107
pubchem_cid: 5459361
inchi:
InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1

smiles:
CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC


name: Balofloxacin
cas: 151060-21-8
chemspiderid: 59361
dtxsid: DTXSID5046695
formula: C20H24F1N3O4
inchikey: MGQLHRYJBWGORO-UHFFFAOYSA-N
norman_susdat_id: NS00011861
pubchem_cid: 65958
smiles: CNC1CCCN(C1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F
inchi:
InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)


name: Bis(pentabromophenyl) fumarate
cas: 15108-51-7
formula: C16H2Br10O4
inchikey: DXPKDGZNZOIMJZ-OWOJBTEDSA-N
norman_susdat_id: NS00051768
pubchem_cid: 6436421
smiles: O=C(OC=1C(Br)=C(Br)C(Br)=C(Br)C1Br)C=CC(=O)OC=2C(Br)=C(Br)C(Br)=C(Br)C2Br
inchi:
InChI=1/C16H2Br10O4/c17-5-7(19)11(23)15(12(24)8(5)20)29-3(27)1-2-4(28)30-16-13(25)9(21)6(18)10(22)14(16)26/h1-2H


name: 2,2'-[(3,3'-dichloro-4,4'-biphenylylene)bis(azo)]bis[2',5'-dimethoxyacetoacetanilide]
cas: 15110-84-6
dtxsid: DTXSID30864556
formula: C36H34Cl2N6O8
inchikey: JCCCQHUBURSMDX-UHFFFAOYSA-N
norman_susdat_id: NS00051869
pubchem_cid: 85802
inchi:
InChI=1/C36H34Cl2N6O8/c1-19(45)33(35(47)39-29-17-23(49-3)9-13-31(29)51-5)43-41-27-11-7-21(15-25(27)37)22-8-12-28(26(38)16-22)42-44-34(20(2)46)36(48)40-30-18-24(50-4)10-14-32(30)52-6/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)

smiles:
O=C(NC1=CC(OC)=CC=C1OC)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC4=CC(OC)=CC=C4OC)C(=O)C)C(Cl)=C3)C(=O)C


name: 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy-
cas: 15114-15-5
chemspiderid: 76495
dtxsid: DTXSID5065859
formula: C22H18N2O5
inchikey: YYBSEGBOVVQCAU-UHFFFAOYSA-N
norman_susdat_id: NS00024933
pubchem_cid: 84797
smiles: CCOc1ccc(cc1)c1c(O)c2c(c(N)c1)C(=O)c1c(O)ccc(N)c1C2=O
inchi:
InChI=1S/C22H18N2O5/c1-2-29-11-5-3-10(4-6-11)12-9-14(24)17-19(20(12)26)22(28)16-13(23)7-8-15(25)18(16)21(17)27/h3-9,25-26H,2,23-24H2,1H3


name: 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-Heptadecafluorononadecan-1-ol
cas: 1512-02-3
dtxsid: DTXSID90895467
formula: C19H23F17O
inchikey: GZPAINIKTKBDHV-UHFFFAOYSA-N
norman_susdat_id: NS00112092
smiles: OCCCCCCCCCCCC(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/C19H23F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h37H,1-11H2


name: 8-Desmethoxy-8-fluoro moxifloxacin
cas: 151213-15-9
chemspiderid: 423734
dtxsid: DTXSID80164735
formula: C20H21F2N3O3
inchikey: WEXQOLCYKFJAJZ-UHFFFAOYSA-N
norman_susdat_id: NS00007780
pubchem_cid: 483163
smiles: OC(=O)c1cn(C2CC2)c2c(F)c(N3CC4CCCNC4C3)c(F)cc2c1=O
inchi:
InChI=1S/C20H21F2N3O3/c21-14-6-12-17(25(11-3-4-11)8-13(19(12)26)20(27)28)16(22)18(14)24-7-10-2-1-5-23-15(10)9-24/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28)


name: Sodium 5,5-diallylbarbiturate
cas: 15130-95-7
formula: C10H12N2O3.Na
inchikey: XGUUCCVRACSUAD-UHFFFAOYSA-M
norman_susdat_id: NS00085940
smiles: [Na+].[O-]C1=NC(=O)C(CC=C)(CC=C)C(=O)N1
inchi:
InChI=1/C10H12N2O3.Na/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14;/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15);/q;+1/p-1


name: Zaleplon
cas: 151319-34-5
chebiid: CHEBI:10102
chemspiderid: 5517
dtxsid: DTXSID5023748
formula: C17H15N5O1
inchikey: HUNXMJYCHXQEGX-UHFFFAOYSA-N
norman_susdat_id: NS00006819
pubchem_cid: 5719
smiles: CCN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C#N
inchi:
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3


name: 3-cyano-N-(1,1-dimethylethyl)androsta-3,5-diene-17-Î²-carboxamide
cas: 151338-11-3
chemspiderid: 57576533
formula: C25H36N2O1
inchikey: SWSAVZHOUMPGCF-UHFFFAOYSA-N
norman_susdat_id: NS00008381
pubchem_cid: 19084916
smiles: CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(CCC4(C)C3CCC12C)C#N
inchi:
InChI=1S/C25H36N2O/c1-23(2,3)27-22(28)21-9-8-19-18-7-6-17-14-16(15-26)10-12-24(17,4)20(18)11-13-25(19,21)5/h6,14,18-21H,7-13H2,1-5H3,(H,27,28)


name: Cobalt disodium ethylenediaminetetraacetate
cas: 15137-09-4
formula: C10H12CoN2O8.2Na
inchikey: SRRLDCNCJFKVFJ-UHFFFAOYSA-J
norman_susdat_id: NS00085956
smiles: [Na+].[Na+].[Co+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.Co.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;+2;2*+1/p-4


name: C.I. Acid Orange 137
cas: 15139-76-1
chebiid: CHEBI:171726
chemspiderid: 16735944
dtxsid: DTXSID7044219
formula: C22H18N4O9S2
inchikey: CWEKGCILYDRKNV-KPOOZVEVSA-L
norman_susdat_id: NS00020747
pubchem_cid: NA
smiles: [Na+].[Na+].CCOC(=O)C1=NN(C(=O)C1N=Nc1ccc(c2ccccc12)S(=O)(=O)[O-])c1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C22H18N4O9S2/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,19H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+/t19-/m0/s1


name: Estra-1,3,5(10)-triene-3,17ß-diol 17-cyclohexanecarboxylate
cas: 15140-27-9
dtxsid: DTXSID80934253
formula: C25H34O3
inchikey: IVRCALGRJCHPRV-BZDYCCQFSA-N
norman_susdat_id: NS00052655
pubchem_cid: 21116138
smiles: O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)C5CCCCC5
inchi:
InChI=1/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3


name: 2-[N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-m-toluidino]ethyl acetate
cas: 15141-18-1
chebiid: CHEBI:59605
formula: C16H20N5O4S
inchikey: HMAJVAFLGGPIPN-UHFFFAOYSA-N
norman_susdat_id: NS00051417
pubchem_cid: 84802
smiles: O=C(OCCN(C1=CC=C(N=NC2=NC=C(S2)[N+](=O)[O-])C(=C1)C)CC)C
inchi:
InChI=1/C16H19N5O4S/c1-4-20(7-8-25-12(3)22)13-5-6-14(11(2)9-13)18-19-16-17-10-15(26-16)21(23)24/h5-6,9-10H,4,7-8H2,1-3H3


name: Hexasodium dihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 15142-96-8
formula: C6H20N2O12P4.6Na
inchikey: OEKKAQBZZLRNMB-UHFFFAOYSA-F
norman_susdat_id: NS00085513
inchi:
InChI=1/C6H20N2O12P4.6Na/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;6*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: NSC636588
cas: 151454-11-4
chemspiderid: 325904
dtxsid: DTXSID80327166
formula: C21H25N1O3
inchikey: RVYZVGKIODSCSZ-UHFFFAOYSA-N
norman_susdat_id: NS00017084
pubchem_cid: 367137
smiles: CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
inchi:
InChI=1S/C21H25NO3/c1-13-19(15-5-9-17(24-3)10-6-15)22-20(14(2)21(13)23)16-7-11-18(25-4)12-8-16/h5-14,19-20,22H,1-4H3


name: 2,4-D tetrahydrofurfuryl ester
cas: 15146-99-3
chemspiderid: 77398
dtxsid: DTXSID0041353
formula: C13H14Cl2O4
inchikey: SBXXZSKNQDULKP-UHFFFAOYNA-N
norman_susdat_id: NS00024940
pubchem_cid: NA
smiles: Clc1ccc(OCC(=O)OCC2CCCO2)c(Cl)c1
inchi:
InChI=1S/C13H14Cl2O4/c14-9-3-4-12(11(15)6-9)18-8-13(16)19-7-10-2-1-5-17-10/h3-4,6,10H,1-2,5,7-8H2/t10-/m1/s1


name: 3-(tert-butylamino)-1-[(6-chloro-m-tolyl)oxy]propan-2-ol hydrochloride
cas: 15148-80-8
chebiid: CHEBI:31323
formula: C14H22ClNO2.ClH
inchikey: WJUUZHQWGKSLIJ-UHFFFAOYSA-N
norman_susdat_id: NS00085118
smiles: Cl.Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
inchi:
InChI=1/C14H22ClNO2.ClH/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4;/h5-7,11,16-17H,8-9H2,1-4H3;1H


name: Niflumic acid met 18 -339
cas: 15149-72-1
chemspiderid: 81511
formula: C15H12F3N3O3
inchikey: VSQYJUFDGJFASD-UHFFFAOYSA-N
norman_susdat_id: NS00000837
pubchem_cid: 90287
smiles: FC(F)(c1cc(Nc2ncccc2C(NCC(O)=O)=O)ccc1)F
inchi:
InChI=1S/C15H12F3N3O3/c16-15(17,18)9-3-1-4-10(7-9)21-13-11(5-2-6-19-13)14(24)20-8-12(22)23/h1-7H,8H2,(H,19,21)(H,20,24)(H,22,23)


name: Difpas-pyrazole
cas: 151506-44-4
chemspiderid: 117317
dtxsid: DTXSID6048175
formula: C18H16F2N2O2S1
inchikey: JJAPPCJXQFKMJL-UHFFFAOYSA-N
norman_susdat_id: NS00015643
pubchem_cid: 132932
smiles: COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)S(=O)C
inchi:
InChI=1S/C18H16F2N2O2S/c1-24-14-7-5-13(6-8-14)22-17(11-16(21-22)18(19)20)12-3-9-15(10-4-12)25(2)23/h3-11,18H,1-2H3


name: 4-nitrophenyl N-[(tert-butoxy)carbonyl]-L-tryptophanate
cas: 15160-31-3
dtxsid: DTXSID50934301
formula: C22H24N3O6
inchikey: LQGKMKBNHAFRBV-IBGZPJMESA-N
norman_susdat_id: NS00052160
pubchem_cid: 12932252
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])CC2=CNC=3C=CC=CC32
inchi:
InChI=1/C22H23N3O6/c1-22(2,3)31-21(27)24-19(12-14-13-23-18-7-5-4-6-17(14)18)20(26)30-16-10-8-15(9-11-16)25(28)29/h4-11,13,19,23H,12H2,1-3H3,(H,24,27)


cas: 151604-82-9
inchikey: JWDKYRFBRWMBIC-WVIFHINXSA-J
norman_susdat_id: NS00078172
name:
disodium [7-amino-4-(hydroxy-kO)-3-[(2-{[2-(hydroxy-kO)-5-sulfophenyl]diazenyl-kN1}-4,5-dimethoxyphenyl)diazenyl-kN2]naphthalene-2-sulfonato(4-)]cuprate(2-)

smiles:
[Na+].[Na+].COc1cc2c(cc1OC)[N+]1[N-]c3cc(ccc3O[Cu]3=1Oc1c(N=[N+]23)c(cc2cc(N)ccc12)S([O-])(=O)=O)S([O-])(=O)=O


name: Amisulpride-met 9 -277
cas: 151621-88-4
chemspiderid: NA
formula: C10H15N1O6S1
inchikey: GNEPFOUPANSPAI-UHFFFAOYSA-N
norman_susdat_id: NS00000718
pubchem_cid: NA
smiles: S(=O)(C1=C(C=C(C(C(O)=O)C1O)OC)N)(CC)=O
inchi:
InChI=1S/C10H15NO6S/c1-3-18(15,16)9-5(11)4-6(17-2)7(8(9)12)10(13)14/h4,7-8,12H,3,11H2,1-2H3,(H,13,14)


name: Sodium o-dodecylbenzenesulphonate
cas: 15163-46-9
formula: C18H30O3S.Na
inchikey: HFQQZARZPUDIFP-UHFFFAOYSA-M
norman_susdat_id: NS00085119
smiles: [Na+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+1/p-1


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)decyl methacrylate
cas: 15166-00-4
chemspiderid: 76510
dtxsid: DTXSID60164839
formula: C15H9F19O2
inchikey: KTPONRIHDUNNPD-UHFFFAOYSA-N
norman_susdat_id: NS00011069
pubchem_cid: 84812
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(C(C)=C)=O
inchi:
InChI=1S/C15H9F19O2/c1-5(2)6(35)36-4-3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h1,3-4H2,2H3


cas: 151686-30-5
dtxsid: DTXSID40882988
norman_susdat_id: NS00110319
name:
Thiols, C4-20, .gamma.-.omega.-perfluoro, reaction products with hexakis(methoxymethyl)melamine and vinyl tert-decanoate


name: 1,1'-Oxybis[4-(tridecafluorohexyl)benzene]
cas: 151707-03-8
dtxsid: DTXSID70631466
formula: C24H8F26O
inchikey: CLBGZIRSQYPYBK-UHFFFAOYSA-N
norman_susdat_id: NS00111259
inchi:
InChI=1S/C24H8F26O/c25-13(26,15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)9-1-5-11(6-2-9)51-12-7-3-10(4-8-12)14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h1-8H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(OC2=CC=C(C=C2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: 1,1'-[1,3-Phenylenebis(oxy)]bis[3-(tridecafluorohexyl)benzene]
cas: 151707-04-9
dtxsid: DTXSID60896168
formula: C30H12F26O2
inchikey: DDACECXMWPRJCY-UHFFFAOYSA-N
norman_susdat_id: NS00111102
inchi:
InChI=1S/C30H12F26O2/c31-19(32,21(35,36)23(39,40)25(43,44)27(47,48)29(51,52)53)13-4-1-6-15(10-13)57-17-8-3-9-18(12-17)58-16-7-2-5-14(11-16)20(33,34)22(37,38)24(41,42)26(45,46)28(49,50)30(54,55)56/h1-12H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc(Oc2cccc(Oc3cccc(c3)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2)c1


name: Edoxudine
cas: 15176-29-1
chebiid: CHEBI:135051
chemspiderid: 59752
dtxsid: DTXSID4045890
formula: C11H16N2O5
inchikey: XACKNLSZYYIACO-DJLDLDEBSA-N
norman_susdat_id: NS00024946
pubchem_cid: 66377
smiles: CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1


name: Montelukast sodium
cas: 151767-02-1
chebiid: CHEBI:6993
dtxsid: DTXSID8046450
formula: C35H35ClNNaO3S
inchikey: LBFBRXGCXUHRJY-HKHDRNBDSA-M
norman_susdat_id: NS00076434
smiles: [Na+].CC(C)(O)C1=C(CC[C@@H](SCC2(CC([O-])=O)CC2)C2=CC(C=CC3=NC4=CC(Cl)=CC=C4C=C3)=CC=C2)C=CC=C1
inchi:
InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1


cas: 151798-26-4
chemspiderid: 57522389
dtxsid: DTXSID20721700
formula: C48H31Cl1N6O5
inchikey: MIGFXPZQJCVBKW-UHFFFAOYSA-N
norman_susdat_id: NS00004075
pubchem_cid: 57348751
name:
4-{2-[7-(2-{3-[(2-Chlorophenyl)carbamoyl]-2-oxonaphthalen-1(2H)-ylidene}hydrazinyl)-9-oxo-9H-fluoren-2-yl]hydrazinylidene}-N-(3-methylphenyl)-3-oxo-3,4-dihydronaphthalene-2-carboxamide

inchi:
InChI=1S/C48H31ClN6O5/c1-26-9-8-12-29(21-26)50-47(59)38-22-27-10-2-4-13-32(27)42(45(38)57)54-52-30-17-19-34-35-20-18-31(25-37(35)44(56)36(34)24-30)53-55-43-33-14-5-3-11-28(33)23-39(46(43)58)48(60)51-41-16-7-6-15-40(41)49/h2-25,52-53H,1H3,(H,50,59)(H,51,60)

smiles:
Cc1cccc(NC(=O)C2=Cc3ccccc3C(=NNc3ccc4-c5ccc(NN=C6C(=O)C(=Cc7ccccc67)C(=O)Nc6ccccc6Cl)cc5C(=O)c4c3)C2=O)c1


name: Prednival
cas: 15180-00-4
chebiid: CHEBI:135723
chemspiderid: 8000470
dtxsid: DTXSID80164876
formula: C26H36O6
inchikey: BOFKYYWJAOZDPB-FZNHGJLXSA-N
norman_susdat_id: NS00024947
pubchem_cid: 9824723
smiles: CCCCC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)CO
inchi:
InChI=1S/C26H36O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h9,11,13,18-20,23,27,29H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23-,24+,25-,26+/m0/s1


name: alcuronium
cas: 15180-03-7
chemspiderid: 5257303
formula: C44H50N4O2
inchikey: MUQUYTSLDVKIOF-UNYXLFELSA-N
norman_susdat_id: NS00009463
pubchem_cid: 67108123
inchi:
InChI=1S/C44H50N4O2/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2/q+2/b29-13-,30-14-,33-25-,34-26?/t31?,32?,39-,40-,41-,42-,43?,44?,47?,48?/m0/s1

smiles:
OCC=C1C[N+]2(CC=C)CCC34[C@@H]2CC1C1=CN2[C@H]5C(=C/N([C@H]31)c1ccccc41)C1C[C@H]3C5(CC[N+]3(CC=C)CC1=CCO)c1ccccc21


name: Sapacitabine
cas: 151823-14-2
chebiid: CHEBI:145429
dtxsid: DTXSID90164887
formula: C26H42N4O5
inchikey: LBGFKUUHOPIEMA-PEARBKPGSA-N
norman_susdat_id: NS00071064
pubchem_cid: 153970
smiles: CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1
inchi:
InChI=1S/C26H42N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(32)28-22-16-17-30(26(34)29-22)25-20(18-27)24(33)21(19-31)35-25/h16-17,20-21,24-25,31,33H,2-15,19H2,1H3,(H,28,29,32,34)/t20-,21+,24-,25+/m0/s1


name: Estetrol
cas: 15183-37-6
chebiid: CHEBI:142773
dtxsid: DTXSID50164888
formula: C18H24O4
inchikey: AJIPIJNNOJSSQC-NYLIRDPKSA-N
norman_susdat_id: NS00070000
pubchem_cid: 27125
smiles: C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O
inchi:
InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1


cas: 151841-65-5
dtxsid: DTXSID60893238
formula: C58H85AlO9P2
inchikey: IQJARXJKVIARHO-UHFFFAOYSA-K
norman_susdat_id: NS00112633
name:
ALUMINUM, HYDROXYBIS[2,4,8,10-TETRAKIS(1,1-DIMETHYLETHYL)-6-HYDROXY-12H-DIBENZO[D,G][1,3,2] DIOXAPHOSPHOCIN 6-OXIDATA]-

inchi:
InChI=1S/2C29H43O4P.Al.H2O/c2*1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;;/h2*14-17H,13H2,1-12H3,(H,30,31);;1H2/q;;+3;/p-3

smiles:
CC(C)(C)C1=CC2=C(OP(=O)(O[Al](O)OP3(=O)OC4=C(C=C(C=C4CC4=C(O3)C(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3C2)C(C)(C)C)C(C)(C)C)C(=C1)C(C)(C)C


name: 3-ethyl-2-[(3-ethyl-3H-benzoxazol-2-ylidene)methyl]benzoxazolium iodide
cas: 15185-40-7
dtxsid: DTXSID00934351
formula: C19H19N2O2
inchikey: MUBIWUSJYHALAS-UHFFFAOYSA-M
norman_susdat_id: NS00051512
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=3OC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C19H19N2O2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1


name: 3-ethyl-2-[7-(3-ethyl-3H-benzoxazol-2-ylidene)hepta-1,3,5-trienyl]benzoxazolium iodide
cas: 15185-43-0
chebiid: CHEBI:51902
dtxsid: DTXSID00884827
formula: C25H25N2O2
inchikey: UZLDSPSTABQEQP-UHFFFAOYSA-M
norman_susdat_id: NS00051455
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C25H25N2O2.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: 2-phenylbutyric anhydride
cas: 1519-21-7
dtxsid: DTXSID10934362
formula: C20H22O3
inchikey: NMVCQWBTTHDUQD-UHFFFAOYSA-N
norman_susdat_id: NS00045074
pubchem_cid: 102641
smiles: O=C(OC(=O)C(C=1C=CC=CC1)CC)C(C=2C=CC=CC2)CC
inchi:
InChI=1/C20H22O3/c1-3-17(15-11-7-5-8-12-15)19(21)23-20(22)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3


name: Ethylenebis[triphenylphosphonium] dibromide
cas: 1519-45-5
formula: C38H34P2
inchikey: VRKRIHCAYUNAPF-UHFFFAOYSA-L
norman_susdat_id: NS00045075
pubchem_cid: 2785215
smiles: [Br-].[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC[P+](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2


name: [1,2-phenylenebis(methylene)]bis[triphenylphosphonium] dibromide
cas: 1519-46-6
formula: C44H38P2
inchikey: MXCBXCYGWQAOSN-UHFFFAOYSA-L
norman_susdat_id: NS00044378
pubchem_cid: 2753326
inchi:
InChI=1/C44H38P2.2BrH/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2

smiles:
[Br-].[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC=4C=CC=CC4C[P+](C=5C=CC=CC5)(C=6C=CC=CC6)C=7C=CC=CC7


name: [p-phenylenebis(methylene)]bis[triphenylphosphonium] dichloride
cas: 1519-47-7
formula: C44H38P2
inchikey: IUNJPQCPINLADS-UHFFFAOYSA-L
norman_susdat_id: NS00044379
pubchem_cid: 168940
inchi:
InChI=1/C44H38P2.2ClH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2

smiles:
[Cl-].[Cl-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4=CC=C(C=C4)C[P+](C=5C=CC=CC5)(C=6C=CC=CC6)C=7C=CC=CC7


name: Carbamo(dithioperoxo)thioic acid, N,N-bis(phenylmethyl)-, C,C'-1,6-hexanediyl ester
cas: 151900-44-6
chemspiderid: 10810845
formula: C36H40N2S6
inchikey: ZEUAKOUTLQUQDN-UHFFFAOYSA-N
norman_susdat_id: NS00020153
pubchem_cid: 22058848
smiles: c1ccc(cc1)CN(Cc2ccccc2)C(=S)SSCCCCCCSSC(=S)N(Cc3ccccc3)Cc4ccccc4
inchi:
InChI=1S/C36H40N2S6/c39-35(37(27-31-17-7-3-8-18-31)28-32-19-9-4-10-20-32)43-41-25-15-1-2-16-26-42-44-36(40)38(29-33-21-11-5-12-22-33)30-34-23-13-6-14-24-34/h3-14,17-24H,1-2,15-16,25-30H2


name: 2-ethyl-2-[[(1-oxooctadecyl)oxy]methyl]propane-1,3-diyl distearate
cas: 15196-52-8
formula: C60H116O6
inchikey: PDDAEITXZXSQGZ-UHFFFAOYSA-N
norman_susdat_id: NS00051457
pubchem_cid: 15677533
smiles: O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C60H116O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-56H2,1-4H3


name: 4-tert-Butylbenzo-15-crown-5
cas: 15196-73-3
chemspiderid: 522529
dtxsid: DTXSID20345001
formula: C18H28O5
inchikey: LNNVNAOXLAULPK-UHFFFAOYSA-N
norman_susdat_id: NS00016117
pubchem_cid: 601053
smiles: CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOCCO2
inchi:
InChI=1S/C18H28O5/c1-18(2,3)15-4-5-16-17(14-15)23-13-11-21-9-7-19-6-8-20-10-12-22-16/h4-5,14H,6-13H2,1-3H3


name: 1'-benzylspiro[isoquinoline-1(2H),4'-piperidine]-3(4H)-one hydrochloride
cas: 15198-52-4
dtxsid: DTXSID00164919
formula: C20H22N2O
inchikey: PKMDLIJWPLFOHG-UHFFFAOYSA-N
norman_susdat_id: NS00051051
pubchem_cid: 56842228
smiles: Cl.O=C1NC2(C=3C=CC=CC3C1)CCN(CC=4C=CC=CC4)CC2
inchi:
InChI=1/C20H22N2O.ClH/c23-19-14-17-8-4-5-9-18(17)20(21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16;/h1-9H,10-15H2,(H,21,23);1H


name: Levallorphan
cas: 152-02-3
chebiid: CHEBI:6431
chemspiderid: 10481920
dtxsid: DTXSID9023205
formula: C19H25N1O1
inchikey: OZYUPQUCAUTOBP-QXAKKESOSA-N
norman_susdat_id: NS00008323
pubchem_cid: 5359371
smiles: Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1
inchi:
InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1


name: Verapamil hydrochloride
cas: 152-11-4
formula: C27H38N2O4.ClH
inchikey: DOQPXTMNIUCOSY-UHFFFAOYSA-N
norman_susdat_id: NS00079093
smiles: Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
inchi:
InChI=1/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H


name: Quinestrol
cas: 152-43-2
chemspiderid: 1407
dtxsid: DTXSID6046553
formula: C25H32O2
inchikey: PWZUUYSISTUNDW-UHFFFAOYSA-N
norman_susdat_id: NS00003455
pubchem_cid: 1451
smiles: CC12CCC3C(CCc4cc(OC5CCCC5)ccc34)C1CCC2(O)C#C
inchi:
InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3


name: Cortodoxone
cas: 152-58-9
chebiid: CHEBI:28324
chemspiderid: 389582
dtxsid: DTXSID8045642
formula: C21H30O4
inchikey: WHBHBVVOGNECLV-OBQKJFGGSA-N
norman_susdat_id: NS00010323
pubchem_cid: 440707
smiles: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
inchi:
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1


name: Dydrogesterone
cas: 152-62-5
chebiid: CHEBI:31527
chemspiderid: 8699
dtxsid: DTXSID1022974
formula: C21H28O2
inchikey: JGMOKGBVKVMRFX-HQZYFCCVSA-N
norman_susdat_id: NS00009687
pubchem_cid: 9051
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
inchi:
InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1


name: Acenocoumarol
cas: 152-72-7
chebiid: CHEBI:53766
dtxsid: DTXSID2022541
formula: C19H16NO6
inchikey: VABCILAOYCMVPS-UHFFFAOYSA-N
norman_susdat_id: NS00041335
pubchem_cid: 54676537
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C3=CC=C(C=C3)[N+](=O)[O-])CC(=O)C
inchi:
InChI=1/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3


name: Benzoic acid, 2-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-
cas: 152-75-0
chebiid: CHEBI:86277
chemspiderid: 10581
dtxsid: DTXSID8074651
formula: C20H8Br4O5
inchikey: AZXGXVQWEUFULR-UHFFFAOYSA-N
norman_susdat_id: NS00010232
pubchem_cid: 11049
smiles: OC(=O)c1ccccc1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
inchi:
InChI=1S/C20H8Br4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)


name: 1-hydroxy-2-[(6-O-ß-D-xylopyranosyl-ß-D-glucopyranosyl)oxy]anthraquinone
cas: 152-84-1
formula: C25H26O13
inchikey: GCGGSVAWTYHZBI-CVQRFVFPSA-N
norman_susdat_id: NS00041336
pubchem_cid: 92101
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(O)C(OC4OC(COC5OCC(O)C(O)C5O)C(O)C(O)C4O)=CC=C13
inchi:
InChI=1/C25H26O13/c26-12-7-35-24(22(33)18(12)29)36-8-14-20(31)21(32)23(34)25(38-14)37-13-6-5-11-15(19(13)30)17(28)10-4-2-1-3-9(10)16(11)27/h1-6,12,14,18,20-26,29-34H,7-8H2


name: 2,6-diamino-5-(ß-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one
cas: 152-93-2
dtxsid: DTXSID80876124
formula: C10H16N4O7
inchikey: KGNGTSCIQCLKEH-UHFFFAOYSA-N
norman_susdat_id: NS00041528
pubchem_cid: NA
smiles: O=C1NC(=NC(N)=C1OC2OC(CO)C(O)C(O)C2O)N
inchi:
InChI=1/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)


name: Fluocortolone
cas: 152-97-6
chebiid: CHEBI:135581
chemspiderid: 8701
dtxsid: DTXSID00861835
formula: C22H29F1O4
inchikey: GAKMQHDJQHZUTJ-ULHLPKEOSA-N
norman_susdat_id: NS00004826
pubchem_cid: 9053
smiles: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
inchi:
InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1


name: Metolachlor OA
cas: 152019-73-3
chebiid: CHEBI:83652
chemspiderid: 21170688
dtxsid: DTXSID6037568
formula: C15H21N1O4
inchikey: LNOOSYCKMKZOJB-UHFFFAOYSA-N
norman_susdat_id: NS00000245
pubchem_cid: 15842092
smiles: CC1=CC=CC(CC)=C1N(C(C)COC)C(C(O)=O)=O
eea_notation: CAS_152019-73-3
inchi:
InChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)


name: Epothilone B
cas: 152044-54-7
chebiid: CHEBI:31550
chemspiderid: 10213816
dtxsid: DTXSID4046862
formula: C27H41N1O6S1
inchikey: QXRSDHAAWVKZLJ-PVYNADRNSA-N
norman_susdat_id: NS00024956
pubchem_cid: 448013
smiles: C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)/C(=C/c1csc(C)n1)/C
inchi:
InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1


name: (7E)-1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexadec-7-ene
cas: 152128-75-1
dtxsid: DTXSID70895440
formula: C16H19F13
inchikey: UFXJXRIUXCGTRG-MDZDMXLPSA-N
norman_susdat_id: NS00111404
smiles: CCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H19F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h9-10H,2-8H2,1H3/b10-9+


cas: 152128-77-3
chemspiderid: 57491262
dtxsid: DTXSID90747694
formula: C8H10F1N3O4S1
inchi: InChI=1S/C8H10FN3O4S/c9-4-1-12(8(14)11-7(4)10)5-3-17(15)6(2-13)16-5/h1,5-6,13H,2-3H2,(H2,10,11,14)
inchikey: DMOMZPWPIDCLMB-UHFFFAOYSA-N
norman_susdat_id: NS00007155
pubchem_cid: 85100454
smiles: Nc1nc(=O)n(cc1F)C1CS(=O)C(CO)O1
name:
4-Amino-5-fluoro-1-[(2R,3S,5S)-2-(hydroxymethyl)-3-oxo-1,3lambda~4~-oxathiolan-5-yl]pyrimidin-2(1H)-one


name: Dexamethasone beta-D-Glucuronide
cas: 152154-28-4
chemspiderid: 154893
formula: C28H37F1O11
inchikey: UBHXMSIBGRGDSX-UHFFFAOYSA-N
norman_susdat_id: NS00040897
pubchem_cid: 10099499
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC1OC(C(O)C(O)C1O)C(O)=O
inchi:
InChI=1S/C28H37FO11/c1-12-8-16-15-5-4-13-9-14(30)6-7-25(13,2)27(15,29)17(31)10-26(16,3)28(12,38)18(32)11-39-24-21(35)19(33)20(34)22(40-24)23(36)37/h6-7,9,12,15-17,19-22,24,31,33-35,38H,4-5,8,10-11H2,1-3H3,(H,36,37)


name: C.I. Disperse Red 356
cas: 152165-67-8
chemspiderid: 57579253
formula: C26H20O5
inchikey: OZIVGRCTLVMJJN-UHFFFAOYSA-N
norman_susdat_id: NS00021017
pubchem_cid: 14028796
smiles: CCCCOc1ccc(cc1)C2=c3cc4c(=C(C(=O)O4)c5ccccc5)cc3OC2=O
inchi:
InChI=1S/C26H20O5/c1-2-3-13-29-18-11-9-17(10-12-18)24-20-15-21-19(14-22(20)31-26(24)28)23(25(27)30-21)16-7-5-4-6-8-16/h4-12,14-15H,2-3,13H2,1H3


name: Propylene pentamer
cas: 15220-87-8
chemspiderid: 176535
dtxsid: DTXSID8049757
formula: C15H18
inchikey: CETJIWVTDUCJAH-UHFFFAOYSA-N
norman_susdat_id: NS00019644
pubchem_cid: 73461452
smiles: CC=CC=CC=CC=CC=CC=CC=C
inchi:
InChI=1S/C15H18/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H,1H2,2H3/b6-4-,7-5+,10-8+,11-9+,14-12+,15-13+


cas: 152261-33-1
norman_susdat_id: NS00113137
name:
ALKENES, C20-24 ALPHA-, POLYMERS WITH MALEIC ANHYDRIDE, REACTION PRODUCTS WITH 2,2,6,6-TETRAMETHYL-4-PIPERIDINAMINE


name: Leurosidine
cas: 15228-71-4
chebiid: CHEBI:6429
chemspiderid: 442110
formula: C46H58N4O9
inchikey: JXLYSJRDGCGARV-DVOOFMKJSA-N
norman_susdat_id: NS00094493
pubchem_cid: 390637
smiles:
CC[C@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O


name: Fawcettimine
cas: 15228-74-7
chebiid: CHEBI:4989
chemspiderid: 390909
dtxsid: DTXSID40331840
formula: C16H25NO2
inchikey: ZLMYGBDFISIGLH-WALBABNVSA-N
norman_susdat_id: NS00094712
pubchem_cid: 442475
smiles: C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCC[C@]23[C@@]4(O)C1
inchi:
InChI=1S/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-15(12,13)16(17,19)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1


cas: 152286-16-3
dtxsid: DTXSID20882729
norman_susdat_id: NS00109612
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymer with chloroethene, .alpha.-fluoro-.omega.-[2-[(1-oxo-2- propenyl)oxy]ethyl]poly(difluoromethylene) and N-(hydroxymethyl)-2- propenamide


cas: 152286-20-9
dtxsid: DTXSID40897613
norman_susdat_id: NS00110506
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymer with chloroethene, N,N-dimethyl-2-propenamide, α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and 2-hydroxyethyl 2-propenoate (9CI)


cas: 152286-25-4
dtxsid: DTXSID60882622
norman_susdat_id: NS00110965
name:
Oxirane, methyl-, polymer with oxirane, mono(2-methyl-2-propenoate), octyl ether, polymer with α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and α-(2-methyl-1-oxo-2-propenyl)-ω-hydroxypoly[oxy(methyl-1,2-ethanediyl)] (9CI)


name: N-(1-Methylheptyl)-N'-phenyl-1,4-benzenediamine
cas: 15233-47-3
chemspiderid: 77410
dtxsid: DTXSID0027771
formula: C20H28N2
inchikey: JQTYAZKTBXWQOM-UHFFFAOYNA-N
norman_susdat_id: NS00024964
pubchem_cid: NA
smiles: CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C20H28N2/c1-3-4-5-7-10-17(2)21-19-13-15-20(16-14-19)22-18-11-8-6-9-12-18/h6,8-9,11-17,21-22H,3-5,7,10H2,1-2H3/t17-/m0/s1


name: 9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione
cas: 1524-86-3
formula: C24H33FO6
inchikey: TZFZVQNBXVBQDC-UHFFFAOYSA-N
norman_susdat_id: NS00045623
pubchem_cid: 95574
smiles: O=C1C=C2CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C3(F)C2(C)CC1)(C)C
inchi:
InChI=1/C24H33FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h9,15-17,19,26,28H,5-8,10-12H2,1-4H3


name: Flurandrenolide
cas: 1524-88-5
chebiid: CHEBI:5127
chemspiderid: 14475
dtxsid: DTXSID2047434
formula: C24H33F1O6
inchikey: POPFMWWJOGLOIF-XWCQMRHXSA-N
norman_susdat_id: NS00010341
pubchem_cid: 15209
smiles: C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
inchi:
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1


name: 2-{[(3-Methyl-4-nitropyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole
cas: 152402-98-7
chemspiderid: 9646933
dtxsid: DTXSID30467026
formula: C14H12N4O2S1
inchikey: HLHGTWPLDSUGJJ-UHFFFAOYSA-N
norman_susdat_id: NS00009383
pubchem_cid: 11472103
smiles: Cc1c(CSc2nc3ccccc3[nH]2)nccc1[N+]([O-])=O
inchi:
InChI=1S/C14H12N4O2S/c1-9-12(15-7-6-13(9)18(19)20)8-21-14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)


name: D-glucuronic acid, compound with L-arginine (1:1)
cas: 15241-42-6
formula: C6H14N4O2.C6H10O7
inchikey: UKDDJHWIVHJRLI-CDHKGTMRSA-N
norman_susdat_id: NS00084832
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.O[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
inchi:
InChI=1/C6H14N4O2.C6H10O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-5,8-11H,(H,12,13)


name: Tetrachloro-µ-hydroxy(µ-stearato)dichromium
cas: 15242-96-3
formula: C18H36Cl4Cr2O3
inchikey: YQESIKBYTQRSDQ-UHFFFAOYSA-I
norman_susdat_id: NS00085587
smiles: CCCCCCCCCCCCCCCCCC1=[O+][Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1
inchi:
InChI=1/C18H36O2.4ClH.2Cr.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2-17H2,1H3,(H,19,20);4*1H;;;/q;;;;;2*+5;/p-5/rC18H35Cl4Cr2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-23(19,20)27-24(21,22)26-18/h2-17H2,1H3/q+5


name: 6ß-fluoro-3ß,5a,17-trihydroxy-16a-methylpregnan-20-one 3-acetate
cas: 1525-77-5
dtxsid: DTXSID40934517
formula: C24H37FO5
inchikey: NJDYIKQAOCYLKB-MZVKURBCSA-N
norman_susdat_id: NS00045624
pubchem_cid: 102139
smiles: O=C(OC1CCC2(C)C3CCC4(C)C(CC(C)C4(O)C(=O)C)C3CC(F)C2(O)C1)C
inchi:
InChI=1/C24H37FO5/c1-13-10-19-17-11-20(25)23(28)12-16(30-15(3)27)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)26/h13,16-20,28-29H,6-12H2,1-5H3


cas: 152521-12-5
dtxsid: DTXSID20882825
norman_susdat_id: NS00109622
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymer withchloroethene and .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene)


cas: 152521-13-6
dtxsid: DTXSID20882845
norman_susdat_id: NS00109624
name:
2-Propenoic acid, hexadecyl ester, polymer with .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and octadecyl 2-propenoate


name: Dibutylbis(methacryloyloxy)stannane
cas: 15257-25-7
formula: C16H28O4Sn
inchikey: UCJOBZKBTWHHRK-UHFFFAOYSA-L
norman_susdat_id: NS00052328
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C(=C)C)(CCCC)CCCC)C(=C)C
inchi:
InChI=1/2C4H6O2.2C4H9.Sn/c2*1-3(2)4(5)6;2*1-3-4-2;/h2*1H2,2H3,(H,5,6);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC16H28O4Sn/c1-7-9-11-21(12-10-8-2,19-15(17)13(3)4)20-16(18)14(5)6/h3,5,7-12H2,1-2,4,6H3


name: 6-a-fluoro-21-hydroxy-16-a,17-a-isopropylidenedioxypregn-4-ene-3,20-dione
cas: 1526-01-8
dtxsid: DTXSID60934554
formula: C24H33FO5
inchikey: DQXQPCJFQLIAJD-UHFFFAOYSA-N
norman_susdat_id: NS00045625
pubchem_cid: 3841583
smiles: O=C1C=C2C(F)CC3C(CCC4(C)C3CC5OC(OC54C(=O)CO)(C)C)C2(C)CC1
inchi:
InChI=1/C24H33FO5/c1-21(2)29-20-11-16-14-10-18(25)17-9-13(27)5-7-22(17,3)15(14)6-8-23(16,4)24(20,30-21)19(28)12-26/h9,14-16,18,20,26H,5-8,10-12H2,1-4H3


name: O-benzyl-N-tert-butoxycarbonyl-L-threonine
cas: 15260-10-3
dtxsid: DTXSID20884829
formula: C16H23NO5
inchikey: CTXPLTPDOISPTE-YUZLPWPTSA-N
norman_susdat_id: NS00051101
pubchem_cid: 12889147
smiles: O=C(OC(C)(C)C)NC(C(=O)O)C(OCC=1C=CC=CC1)C
inchi:
InChI=1/C16H23NO5/c1-11(21-10-12-8-6-5-7-9-12)13(14(18)19)17-15(20)22-16(2,3)4/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19)


name: Delmadinone
cas: 15262-77-8
chemspiderid: 8604067
dtxsid: DTXSID60165088
formula: C21H25Cl1O3
inchikey: ZSAMZEYLGUEVJW-TTYLFXKOSA-N
norman_susdat_id: NS00024968
pubchem_cid: 10428639
smiles: CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C
inchi:
InChI=1S/C21H25ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10-11,14-16,25H,5-6,8-9H2,1-3H3/t14-,15-,16-,19-,20-,21+/m1/s1


name: Testosterone isocaproate
cas: 15262-86-9
chebiid: CHEBI:35001
chemspiderid: 201317
dtxsid: DTXSID0046806
formula: C25H38O3
inchikey: PPYHLSBUTAPNGT-BKWLFHPQSA-N
norman_susdat_id: NS00015427
pubchem_cid: 231084
smiles: CC(C)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1


name: 4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole
cas: 152628-02-9
chemspiderid: 7972254
dtxsid: DTXSID20165089
formula: C19H20N4
inchikey: ILXRSCZVHSZGCS-UHFFFAOYSA-N
norman_susdat_id: NS00021686
pubchem_cid: 9796488
smiles: CCCc1nc2cc(cc(C)c2[nH]1)c1nc2ccccc2n1C
inchi:
InChI=1S/C19H20N4/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)


name: 4-Methyl-2-propyl-1H-benzimidazole-6-carboxylic acid
cas: 152628-03-0
chemspiderid: 8438310
dtxsid: DTXSID80437532
formula: C12H14N2O2
inchikey: XWAJTVCEILFDGU-UHFFFAOYSA-N
norman_susdat_id: NS00006021
pubchem_cid: 10262831
smiles: CCCc1nc2c(C)cc(cc2[nH]1)C(O)=O
inchi:
InChI=1S/C12H14N2O2/c1-3-4-10-13-9-6-8(12(15)16)5-7(2)11(9)14-10/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)


name: 1-[3-(Cyclopentyl-oxy)-4-methoxy-phenyl]-4-oxocyclohexane carbonitrile
cas: 152630-47-2
chemspiderid: 8037300
dtxsid: DTXSID70432031
formula: C19H23N1O3
inchikey: URXUAYQZIDJXGT-UHFFFAOYSA-N
norman_susdat_id: NS00001294
pubchem_cid: 9861604
smiles: COc1ccc(cc1OC1CCCC1)C1(CCC(=O)CC1)C#N
inchi:
InChI=1S/C19H23NO3/c1-22-17-7-6-14(12-18(17)23-16-4-2-3-5-16)19(13-20)10-8-15(21)9-11-19/h6-7,12,16H,2-5,8-11H2,1H3


name: Nalfurafine
cas: 152658-17-8
chebiid: CHEBI:136019
dtxsid: DTXSID70905119
formula: C28H32N2O5
inchikey: XGZZHZMWIXFATA-UEZBDDGYSA-N
norman_susdat_id: NS00069883
smiles: CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
inchi:
InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1


name: 1,3-Propanediamine, N-docosyl-
cas: 15268-40-3
chemspiderid: 76551
dtxsid: DTXSID8065872
formula: C25H54N2
inchikey: BIWCZXIHIQDFSM-UHFFFAOYSA-N
norman_susdat_id: NS00021687
pubchem_cid: 84859
smiles: CCCCCCCCCCCCCCCCCCCCCCNCCCN
inchi:
InChI=1S/C25H54N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-25-22-23-26/h27H,2-26H2,1H3


name: 4-[(Heptadecafluorooctyl)oxy]-4-oxobut-2-enoic acid
cas: 152682-85-4
dtxsid: DTXSID80896064
formula: C12H3F17O4
inchikey: BUEDFFYOKTZGSS-UHFFFAOYSA-N
norman_susdat_id: NS00111783
smiles: OC(=O)C=CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H3F17O4/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)33-4(32)2-1-3(30)31/h1-2H,(H,30,31)


name: Tranid
cas: 15271-41-7
chemspiderid: 7851198
dtxsid: DTXSID3040304
formula: C10H12ClN3O2
inchikey: QCQPGRMMDFIQMB-BNKHGGMYSA-N
norman_susdat_id: NS00114120
pubchem_cid: 9576757
smiles: CNC(=O)ON=C1/[C@@H](Cl)[C@@H]2C[C@H](C#N)[C@H]1C2
inchi:
InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)/b14-9-/t5-,6-,7-,8+/m1/s1


name: Dicerium trimagnesium dodecanitrate
cas: 15276-91-2
formula: Ce.6HNO3.3/2Mg
inchi: InChI=1/2Ce.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1
inchikey: JSYMZLUCQCKVRW-UHFFFAOYSA-N
norman_susdat_id: NS00085601
smiles:
[Mg+2].[Mg+2].[Mg+2].[Ce+3].[Ce+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Tributylmethylstannane
cas: 1528-01-4
dtxsid: DTXSID80165121
formula: C13H27Sn
inchikey: AXIWMQQESQUKLL-UHFFFAOYSA-N
norman_susdat_id: NS00045161
pubchem_cid: NA
smiles: [Sn]C(CCCC)(CCCC)CCCC
inchi:
InChI=1/C13H27.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+3/rC13H27Sn/c1-4-7-10-13(14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3/q+3


name: Triheptyl benzene-1,2,4-tricarboxylate
cas: 1528-48-9
chemspiderid: 66360
dtxsid: DTXSID60165124
formula: C30H48O6
inchikey: SYKYENWAGZGAFV-UHFFFAOYSA-N
norman_susdat_id: NS00024975
pubchem_cid: 73717
smiles: CCCCCCCOC(=O)c1cc(C(=O)OCCCCCCC)c(cc1)C(=O)OCCCCCCC
inchi:
InChI=1S/C30H48O6/c1-4-7-10-13-16-21-34-28(31)25-19-20-26(29(32)35-22-17-14-11-8-5-2)27(24-25)30(33)36-23-18-15-12-9-6-3/h19-20,24H,4-18,21-23H2,1-3H3


name: Trihexyl benzene-1,2,4-tricarboxylate
cas: 1528-49-0
chemspiderid: 66361
dtxsid: DTXSID4052681
formula: C27H42O6
inchikey: MXHBQKVKHGQWRB-UHFFFAOYSA-N
norman_susdat_id: NS00024976
pubchem_cid: 73718
smiles: CCCCCCOC(=O)c1ccc(C(=O)OCCCCCC)c(c1)C(=O)OCCCCCC
inchi:
InChI=1S/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3


name: Triisobutyl benzene-1,2,4-tricarboxylate
cas: 1528-52-5
chemspiderid: 66362
dtxsid: DTXSID20165125
formula: C21H30O6
inchikey: GQBWSGXZXIZPAF-UHFFFAOYSA-N
norman_susdat_id: NS00024977
pubchem_cid: 73719
smiles: CC(C)COC(=O)c1cc(C(=O)OCC(C)C)c(cc1)C(=O)OCC(C)C
inchi:
InChI=1S/C21H30O6/c1-13(2)10-25-19(22)16-7-8-17(20(23)26-11-14(3)4)18(9-16)21(24)27-12-15(5)6/h7-9,13-15H,10-12H2,1-6H3


name: 4-(benzyl(ethyl)amino)benzenediazonium zinc chloride
cas: 15280-31-6
formula: C15H16N3.1/2Cl4Zn
inchikey: SJLCOFLNCVKVOC-UHFFFAOYSA-M
norman_susdat_id: NS00084895
smiles: [Cl-].[Zn+2].CCN(Cc1ccccc1)c2ccc(cc2)[N+]#N
inchi:
InChI=1/C15H16N3.ClH.Zn/c1-2-18(12-13-6-4-3-5-7-13)15-10-8-14(17-16)9-11-15;;/h3-11H,2,12H2,1H3;1H;/q+1;;+2/p-1


name: Benzenecarboximidamide, N-[5-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-N'-hydroxy-4-nitro-
cas: 152828-23-4
chemspiderid: 8102093
formula: C14H17N5O3
inchikey: OAEVYLPNBQGVNP-UHFFFAOYSA-N
norman_susdat_id: NS00024973
pubchem_cid: 9926459
smiles: O)c2ccc(/C(=N/c1nnc(c1)C(C)(C)C)NO)cc2
inchi:
InChI=1S/C14H17N5O3/c1-14(2,3)11-8-12(17-16-11)15-13(18-20)9-4-6-10(7-5-9)19(21)22/h4-8,20H,1-3H3,(H2,15,16,17,18)


name: 4-(6-tert-Butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)aniline
cas: 152828-25-6
chemspiderid: 13330092
dtxsid: DTXSID80571647
formula: C14H17N5
inchikey: GWWKREFFAKXRQV-UHFFFAOYSA-N
norman_susdat_id: NS00001762
pubchem_cid: NA
smiles: CC(C)(C)c1cc2[nH]c(nn2n1)-c1ccc(N)cc1
inchi:
InChI=1S/C14H17N5/c1-14(2,3)11-8-12-16-13(18-19(12)17-11)9-4-6-10(15)7-5-9/h4-8H,15H2,1-3H3,(H,16,18)


name: N-3-Oxo-Dodecanoyl-L-Homoserine Lactone
cas: 152833-54-0
chebiid: CHEBI:44534
dtxsid: DTXSID90390604
formula: C16H27NO4
inchikey: PHSRRHGYXQCRPU-AWEZNQCLSA-N
norman_susdat_id: NS00070434
pubchem_cid: 3246941
smiles: CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
inchi:
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1


name: Triicosylaluminium
cas: 1529-57-3
formula: C60H123Al
inchikey: FNZVPOPUGCLHJA-UHFFFAOYSA-N
norman_susdat_id: NS00081586
smiles: CCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C20H41.Al/c3*1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;/h3*1,3-20H2,2H3;/rC60H123Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61(59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-60H2,1-3H3


name: Tritetradecylaluminium
cas: 1529-58-4
formula: C42H87Al
inchikey: JVIKNVRZMNQFFL-UHFFFAOYSA-N
norman_susdat_id: NS00081323
smiles: CCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1/3C14H29.Al/c3*1-3-5-7-9-11-13-14-12-10-8-6-4-2;/h3*1,3-14H2,2H3;/rC42H87Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3


name: Tridodecylaluminium
cas: 1529-59-5
formula: C36H75Al
inchikey: XBEXIHMRFRFRAM-UHFFFAOYSA-N
norman_susdat_id: NS00081324
smiles: CCCCCCCCCCCC[Al](CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C12H25.Al/c3*1-3-5-7-9-11-12-10-8-6-4-2;/h3*1,3-12H2,2H3;/rC36H75Al/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


name: Ginkgolide A
cas: 15291-75-5
chemspiderid: 103096
dtxsid: DTXSID10873222
formula: C20H24O9
inchikey: FPUXKXIZEIDQKW-VKMVSBOZSA-N
norman_susdat_id: NS00024980
pubchem_cid: 9909368
inchi:
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1

smiles:
[H][C@]12C[C@@]34[C@@]5([H])C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@@]3([H])O[C@@]4(C(=O)O5)[C@@]1(O)[C@H](C)C(=O)O2


name: Ginkgolide c
cas: 15291-76-6
formula: C20H24O11
inchikey: AMOGMTLMADGEOQ-DTDWCABLSA-N
norman_susdat_id: NS00071820
pubchem_cid: 9867869
inchi:
InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8+,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1

smiles:
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@@]12O


name: Ginkgolide B
cas: 15291-77-7
dtxsid: DTXSID70873223
formula: C20H24O10
inchikey: SQOJOAFXDQDRGF-MMQTXUMRSA-N
norman_susdat_id: NS00070447
pubchem_cid: 6324617
inchi:
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1

smiles:
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O


name: Ginkgolide-m
cas: 15291-78-8
dtxsid: DTXSID70864570
formula: C20H24O10
inchikey: KDKROYXEHCYLJQ-BDADRTIVSA-N
norman_susdat_id: NS00072741
inchi:
InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6+,7+,8+,9-,10-,11-,12+,16-,18-,19+,20+/m0/s1

smiles:
C[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O


name: N(6)-(3-Iodobenzyl)-5'-N-methylcarboxamidoadenosine
cas: 152918-18-8
chebiid: CHEBI:73286
dtxsid: DTXSID50165158
formula: C18H19IN6O4
inchikey: HUJXGQILHAUCCV-MOROJQBDSA-N
norman_susdat_id: NS00069256
pubchem_cid: 123683
smiles: CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1


name: Sodium zirconium silicate(4:2:3)
cas: 15292-27-0
formula: H4O4Si.4/3Na.2/3Zr
inchikey: WLPMZYIOVOPKCU-UHFFFAOYSA-N
norman_susdat_id: NS00084850
smiles: [NaH].[NaH].[NaH].[NaH].[Zr].[Zr].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/4Na.3O3Si.2Zr.4H/c;;;;3*1-4(2)3;;;;;;/q4*+1;3*-2;2*+2;;;;/r4HNa.3O3Si.2Zr/c;;;;3*1-4(2)3;;/h4*1H;;;;;/q4*+1;3*-2;2*+2


name: Pinolidoxin
cas: 152985-39-2
chebiid: CHEBI:8223
dtxsid: DTXSID40415078
formula: C18H26O6
inchikey: TXPRZPDVUZCNLB-YECGNMMBSA-N
norman_susdat_id: NS00097452
smiles: CCCC1C(C(/C=C/CCC(C(=O)O1)OC(=O)/C=C/C=C/C)O)O
inchi:
InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+


name: Diethoxy(2-(perfluorooctyl)-1-ethyl)methylsilane
cas: 152992-46-6
dtxsid: DTXSID80893351
formula: C15H17F17O2Si
inchikey: FWFYREMNEFLCAK-UHFFFAOYSA-N
norman_susdat_id: NS00111701
smiles: CCO[Si](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)OCC
inchi:
InChI=1S/C15H17F17O2Si/c1-4-33-35(3,34-5-2)7-6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-7H2,1-3H3


name: Methenolone
cas: 153-00-4
chemspiderid: 2301378
dtxsid: DTXSID10165179
formula: C20H30O2
inchikey: ANJQEDFWRSLVBR-HARDYTLKSA-N
norman_susdat_id: NS00007198
pubchem_cid: 9054
smiles: CC1=CC(=O)C[C@@H]2CCC3C4CCC(O)C4(C)CCC3C12C
inchi:
InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15?,16?,17?,18?,19?,20?/m0/s1


cas: 153-17-3
dtxsid: DTXSID50934644
formula: C22H22O14
inchikey: FQQSVXJEJNGDOF-UHFFFAOYSA-N
norman_susdat_id: NS00041875
pubchem_cid: NA
smiles: O=C1C(OC2OC(C)C(O)C(O)(O)C2(O)O)=C(OC3=CC(O)=C(C(O)=C13)CO)C=4C=CC(O)=C(O)C4
name:
3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(hydroxymethyl)-4H-benzopyran-4-one

inchi:
InChI=1/C22H22O14/c1-7-19(29)21(30,31)22(32,33)20(34-7)36-18-16(28)14-13(5-11(25)9(6-23)15(14)27)35-17(18)8-2-3-10(24)12(26)4-8/h2-5,7,19-20,23-27,29-33H,6H2,1H3


name: Rutin
cas: 153-18-4
chebiid: CHEBI:28527
chemspiderid: 4444362
dtxsid: DTXSID3022326
formula: C27H30O16
inchikey: IKGXIBQEEMLURG-NVPNHPEKSA-N
norman_susdat_id: NS00005273
pubchem_cid: 5280805
inchi:
InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

smiles:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O


name: Cephalothin
cas: 153-61-7
chemspiderid: 2513
dtxsid: DTXSID4022783
formula: C16H16N2O6S2
inchikey: XIURVHNZVLADCM-UHFFFAOYSA-N
norman_susdat_id: NS00004680
pubchem_cid: 2612
smiles: CC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc1cccs1)C2=O)C(O)=O
inchi:
InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)


name: 2,2',2''-[benzene-1,2,3-triyltri(oxy)]tris[N,N-diethylethylamine]
cas: 153-76-4
chebiid: CHEBI:503442
dtxsid: DTXSID60165184
formula: C24H45N3O3
inchikey: ICLWTJIMXVISSR-UHFFFAOYSA-N
norman_susdat_id: NS00041529
pubchem_cid: 67425
smiles: O(C1=CC=CC(OCCN(CC)CC)=C1OCCN(CC)CC)CCN(CC)CC
inchi:
InChI=1/C24H45N3O3/c1-7-25(8-2)16-19-28-22-14-13-15-23(29-20-17-26(9-3)10-4)24(22)30-21-18-27(11-5)12-6/h13-15H,7-12,16-21H2,1-6H3


name: Oxypertine
cas: 153-87-7
chebiid: CHEBI:31952
chemspiderid: 4479
dtxsid: DTXSID20165185
formula: C23H29N3O2
inchikey: XCWPUUGSGHNIDZ-UHFFFAOYSA-N
norman_susdat_id: NS00008962
pubchem_cid: 4640
smiles: COc1cc2[nH]c(C)c(CCN3CCN(CC3)c3ccccc3)c2cc1OC
inchi:
InChI=1S/C23H29N3O2/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18/h4-8,15-16,24H,9-14H2,1-3H3


name: d-Tryptophan
cas: 153-94-6
chebiid: CHEBI:57719
dtxsid: DTXSID0046989
formula: C11H12N2O2
inchikey: QIVBCDIJIAJPQS-SECBINFHSA-N
norman_susdat_id: NS00068209
pubchem_cid: 6923517
smiles: N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
inchi:
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1


name: (3-methylbut-2-enyl)triphenylphosphonium bromide
cas: 1530-34-3
dtxsid: DTXSID30934647
formula: C23H24P
inchikey: FTMCNCGWNJMMQS-UHFFFAOYSA-M
norman_susdat_id: NS00047522
pubchem_cid: 3083722
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC=C(C)C
inchi:
InChI=1/C23H24P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-18H,19H2,1-2H3;1H/q+1;/p-1


name: Cinnamyltriphenylphosphonium chloride
cas: 1530-35-4
dtxsid: DTXSID50883688
formula: C27H24P
inchikey: NBGQQOBCTPJEFE-ZUQRMPMESA-M
norman_susdat_id: NS00048277
pubchem_cid: 6436301
smiles: [Cl-].C=1C=CC(=CC1)C=CC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C27H24P.ClH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-22H,23H2;1H/q+1;/p-1


name: (2-methylbenzyl)triphenylphosphonium bromide
cas: 1530-36-5
dtxsid: DTXSID90934648
formula: C26H24P
inchikey: XDCQNYYELACHOT-UHFFFAOYSA-M
norman_susdat_id: NS00048231
pubchem_cid: 197738
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC=4C=CC=CC4C
inchi:
InChI=1/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1


name: (4-chlorobenzyl)triphenylphosphonium chloride
cas: 1530-39-8
dtxsid: DTXSID60934650
formula: C25H21ClP
inchikey: RAHOAHBOOHXRDY-UHFFFAOYSA-M
norman_susdat_id: NS00047523
pubchem_cid: 2733546
smiles: [Cl-].ClC1=CC=C(C=C1)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H21ClP.ClH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1


name: (diphenylmethyl)triphenylphosphonium chloride
cas: 1530-43-4
dtxsid: DTXSID80934652
formula: C31H26P
inchikey: PKMDZVYQEANDCP-UHFFFAOYSA-M
norman_susdat_id: NS00048897
pubchem_cid: 3083723
smiles: [Cl-].C=1C=CC(=CC1)C(C=2C=CC=CC2)[P+](C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C31H26P.ClH/c1-6-16-26(17-7-1)31(27-18-8-2-9-19-27)32(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,31H;1H/q+1;/p-1


name: (ethoxycarbonylmethyl)triphenylphosphonium bromide
cas: 1530-45-6
dtxsid: DTXSID40934653
formula: C22H22O2P
inchikey: VJVZPTPOYCJFNI-UHFFFAOYSA-M
norman_susdat_id: NS00047524
pubchem_cid: 73731
smiles: [Br-].O=C(OCC)C[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C22H22O2P.BrH/c1-2-24-22(23)18-25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1


name: Di-p-toluohydrazide
cas: 1530-73-0
chemspiderid: 66377
dtxsid: DTXSID70165190
formula: C16H16N2O2
inchikey: SWVLEZBOJRWRJB-UHFFFAOYSA-N
norman_susdat_id: NS00024984
pubchem_cid: 73735
smiles: Cc1ccc(cc1)C(=O)NNC(=O)c1ccc(C)cc1
inchi:
InChI=1S/C16H16N2O2/c1-11-3-7-13(8-4-11)15(19)17-18-16(20)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,17,19)(H,18,20)


name: S-Deoxo fulvestrant
cas: 153004-31-0
chemspiderid: 9494269
dtxsid: DTXSID50462159
formula: C32H47F5O2S1
inchikey: BVAUHWMMAVAPFK-LSVBPWPTSA-N
norman_susdat_id: NS00018785
pubchem_cid: 11319305
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCSCCCC(F)(F)C(F)(F)F)CC1=C3C=CC(O)=C1
inchi:
InChI=1S/C32H47F5O2S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-40-19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3


name: Bezitramide [INN:BAN:DCF]
cas: 15301-48-1
chebiid: CHEBI:135794
chemspiderid: 55675
dtxsid: DTXSID90165197
formula: C31H32N4O2
inchikey: FLKWNFFCSSJANB-UHFFFAOYSA-N
norman_susdat_id: NS00024983
pubchem_cid: 61791
smiles: CCC(=O)n1c(=O)n(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)c2c1cccc2
inchi:
InChI=1S/C31H32N4O2/c1-2-29(36)35-28-16-10-9-15-27(28)34(30(35)37)26-17-20-33(21-18-26)22-19-31(23-32,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26H,2,17-22H2,1H3


name: Flavoxate
cas: 15301-69-6
chebiid: CHEBI:5088
chemspiderid: 3237
dtxsid: DTXSID3023053
formula: C24H25N1O4
inchikey: SPIUTQOUKAMGCX-UHFFFAOYSA-N
norman_susdat_id: NS00008498
pubchem_cid: 3354
smiles: Cc1c(oc2c(cccc2c1=O)C(=O)OCCN1CCCCC1)-c1ccccc1
inchi:
InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3


name: Clibucaine
cas: 15302-10-0
chemspiderid: 59054
formula: C15H20Cl2N2O
inchikey: GDDYCOSWVJRUHM-UHFFFAOYSA-N
norman_susdat_id: NS00100932
pubchem_cid: 65613
smiles: CC(CC(=O)Nc1ccc(cc1Cl)Cl)N2CCCCC2
inchi:
InChI=1S/C15H20Cl2N2O/c1-11(19-7-3-2-4-8-19)9-15(20)18-14-6-5-12(16)10-13(14)17/h5-6,10-11H,2-4,7-9H2,1H3,(H,18,20)


name: Amisulpride-met 16 -383
cas: 153033-27-3
chemspiderid: NA
formula: C17H25N3O5S1
inchikey: GQFXCPMUGBNELU-UHFFFAOYSA-N
norman_susdat_id: NS00000725
pubchem_cid: NA
smiles: S(=O)(c1c(N)cc(OC)c(C(NCC2N(CC=O)CCC2)=O)c1)(CC)=O
inchi:
InChI=1S/C17H25N3O5S/c1-3-26(23,24)16-9-13(15(25-2)10-14(16)18)17(22)19-11-12-5-4-6-20(12)7-8-21/h8-10,12H,3-7,11,18H2,1-2H3,(H,19,22)


name: Tris(N-hydroxy-N-nitrosophenylaminato-O,O')aluminium
cas: 15305-07-4
formula: C18H15AlN6O6
inchikey: PMSRCBOGDIMQAT-UHFFFAOYSA-N
norman_susdat_id: NS00085641
smiles: O=NN(O[Al](ON(N=O)c1ccccc1)ON(N=O)c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5N2O2.Al/c3*9-7-8(10)6-4-2-1-3-5-6;/h3*1-5H;/q3*-1;+3/rC18H15AlN6O6/c26-20-23(16-10-4-1-5-11-16)29-19(30-24(21-27)17-12-6-2-7-13-17)31-25(22-28)18-14-8-3-9-15-18/h1-15H


name: Tris(ethyl acetoacetato-O1',O3)aluminium
cas: 15306-17-9
formula: C18H27AlO9
inchikey: KBONOSHTNPESIN-UHFFFAOYSA-N
norman_susdat_id: NS00084871
smiles: CCOC(=O)C([Al](C(C(=O)C)C(=O)OCC)C(C(=O)C)C(=O)OCC)C(=O)C
inchi:
InChI=1/3C6H9O3.Al/c3*1-3-9-6(8)4-5(2)7;/h3*4H,3H2,1-2H3;/rC18H27AlO9/c1-7-26-16(23)13(10(4)20)19(14(11(5)21)17(24)27-8-2)15(12(6)22)18(25)28-9-3/h13-15H,7-9H2,1-6H3


name: Lauric acid, lead salt
cas: 15306-30-6
formula: C12H24O2.xPb
inchikey: XGHRXRCHWSKLFK-UHFFFAOYSA-N
norman_susdat_id: NS00084872
smiles: [Pb].OC(=O)CCCCCCCCCCC
inchi:
InChI=1/C12H24O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2-11H2,1H3,(H,13,14);;;/q;+4;;/rC12H24O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);1H2/q;+4


name: Diclofenac potassium [USAN:USP]
cas: 15307-81-0
chebiid: CHEBI:4508
dtxsid: DTXSID30165212
formula: C14H10Cl2KNO2
inchikey: KXZOIWWTXOCYKR-UHFFFAOYSA-M
norman_susdat_id: NS00076247
smiles: [K+].[O-]C(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl
inchi:
InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1


name: Norlevorphanol
cas: 1531-12-0
chemspiderid: 16735936
formula: C16H21N1O1
inchikey: IYNWSQDZXMGGGI-NUEKZKHPSA-N
norman_susdat_id: NS00010505
pubchem_cid: 5463854
smiles: c1cc2c(cc1O)[C@@]34CCCC[C@H]3[C@@H](C2)NCC4
inchi:
InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m0/s1


name: 3-methoxymorphinan
cas: 1531-25-5
formula: C17H23NO
inchikey: ILNSWVUXAPSPEH-USXIJHARSA-N
norman_susdat_id: NS00048232
pubchem_cid: 5484286
smiles: O(C1=CC=C2C(=C1)C34CCNC(C2)C4CCCC3)C
inchi:
InChI=1/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3


name: Physostigmine hydrochloride
cas: 1531-07-6
formula: C15H21N3O2.ClH
inchikey: REPUEGIPTSPLQL-PBCQUBLHSA-N
norman_susdat_id: NS00081277
smiles: Cl.CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
inchi:
InChI=1/C15H21N3O2.ClH/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1H


name: 2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
cas: 153152-32-0
dtxsid: DTXSID30997196
formula: C10H11ClN2O3
inchikey: HQLHZNDJQSRKDT-QMMMGPOBSA-N
norman_susdat_id: NS00070174
pubchem_cid: 9859632
smiles: Nc1cc(Cl)ccc1C(=O)C[C@H](N)C(=O)O
inchi:
InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1


name: Pleconaril
cas: 153168-05-9
dtxsid: DTXSID8057649
formula: C18H18F3N3O3
inchikey: KQOXLKOJHVFTRN-UHFFFAOYSA-N
norman_susdat_id: NS00068598
pubchem_cid: 1684
smiles: Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1
inchi:
InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3


name: Thiamphenicol
cas: 15318-45-3
chebiid: CHEBI:32215
dtxsid: DTXSID5021338
formula: C12H15Cl2NO5S
inchikey: OTVAEFIXJLOWRX-NXEZZACHSA-N
norman_susdat_id: NS00098623
pubchem_cid: 27200
smiles: O=C(C(Cl)Cl)N[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(C)=O)O)CO
inchi:
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1


name: Oxaziclomefone
cas: 153197-14-9
chebiid: CHEBI:81839
chemspiderid: 10469364
dtxsid: DTXSID3057983
formula: C20H19Cl2N1O2
inchikey: FCOHEOSCARXMMS-UHFFFAOYSA-N
norman_susdat_id: NS00015489
pubchem_cid: 15604135
smiles: CC1=C(C(=O)N(CO1)C(C)(C)C2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=C3
inchi:
InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3


name: Asimadoline
cas: 153205-46-0
dtxsid: DTXSID60165285
formula: C27H30N2O2
inchikey: JHLHNYVMZCADTC-LOSJGSFVSA-N
norman_susdat_id: NS00069221
pubchem_cid: 179340
smiles: CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1
inchi:
InChI=1S/C27H30N2O2/c1-28(25(21-11-5-2-6-12-21)20-29-18-17-24(30)19-29)27(31)26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,24-26,30H,17-20H2,1H3/t24-,25+/m0/s1


name: 6(alpha)-hydroxypaclitaxel (OH-PAC)
cas: 153212-75-0
chemspiderid: 8073181
formula: C47H51N1O15
inchikey: NDCWHEDPSFRTDA-UHFFFAOYSA-N
norman_susdat_id: NS00040946
pubchem_cid: 10056458
inchi:
InChI=1S/C47H51NO15/c1-24-30(61-43(57)33(51)32(27-16-10-7-11-17-27)48-41(55)28-18-12-8-13-19-28)22-47(58)40(62-42(56)29-20-14-9-15-21-29)36-45(6,38(54)35(60-25(2)49)31(24)44(47,4)5)37(53)34(52)39-46(36,23-59-39)63-26(3)50/h7-21,30,32-37,39-40,51-53,58H,22-23H2,1-6H3,(H,48,55)

smiles:
CC(=O)OC1C2=C(C)C(CC(O)(C(OC(=O)c3ccccc3)C3C4(COC4C(O)C(O)C3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C(O)C(NC(=O)c1ccccc1)c1ccccc1


cas: 153223-14-4
dtxsid: DTXSID10165290
formula: C25H30N2O3
inchikey: IWJSQELMWLOYSO-LWSSLDFYSA-N
norman_susdat_id: NS00069193
pubchem_cid: 446158
smiles: C=CCN1C(=O)N(CC=C)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1
name:
2H-1,3-Diazepin-2-one, hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-1,3-di-2-propenyl-, (4R,5S,6S,7R)-

inchi:
InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2/t21-,22-,23+,24+/m1/s1


name: Etoxazole
cas: 153233-91-1
chebiid: CHEBI:39329
chemspiderid: 135707
dtxsid: DTXSID8034586
formula: C21H23F2N1O2
inchikey: IXSZQYVWNJNRAL-UHFFFAOYSA-N
norman_susdat_id: NS00000133
pubchem_cid: 153974
smiles: CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
inchi:
InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3


name: Taurolithocholic acid 3-sulfate
cas: 15324-65-9
chebiid: CHEBI:17864
chemspiderid: 65174
formula: C26H45N1O8S2
inchikey: HSNPMXROZIQAQD-GBURMNQMSA-N
norman_susdat_id: NS00015190
pubchem_cid: 440071
inchi:
InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

smiles:
OC(=NCCS(=O)(=O)O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@H](C2)OS(=O)(=O)O)C


name: Cilomilast
cas: 153259-65-5
dtxsid: DTXSID6046686
formula: C20H25NO4
inchikey: CFBUZOUXXHZCFB-OYOVHJISSA-N
norman_susdat_id: NS00073272
smiles: COc1ccc([C@@]2(C#N)CC[C@H](C(=O)O)CC2)cc1OC1CCCC1
inchi:
InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-


name: 4,4'-Bis(2-benzoxazolyl)stilbene
cas: 1533-45-5
chemspiderid: 66386
dtxsid: DTXSID4051744
formula: C28H18N2O2
inchikey: ORACIQIJMCYPHQ-UHFFFAOYSA-N
norman_susdat_id: NS00019645
pubchem_cid: 73744
smiles: o1c2c(cccc2)nc1c1ccc(/C=C/c2ccc(cc2)c2nc3c(o2)cccc3)cc1
inchi:
InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9-


name: 2,2'-[[3-acetamido-4-[(4-nitrophenyl)azo]phenyl]imino]diethyl diacetate
cas: 1533-74-0
formula: C22H26N5O7
inchikey: SOWPUZMDITYESQ-UHFFFAOYSA-N
norman_susdat_id: NS00048900
pubchem_cid: 73746
smiles: O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=C1)NC(=O)C)CCOC(=O)C)C
inchi:
InChI=1/C22H25N5O7/c1-15(28)23-22-14-20(26(10-12-33-16(2)29)11-13-34-17(3)30)8-9-21(22)25-24-18-4-6-19(7-5-18)27(31)32/h4-9,14H,10-13H2,1-3H3,(H,23,28)


name: Propanamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(4-nitrophenyl)azo]phenyl]-
cas: 1533-76-2
chemspiderid: 21171865
dtxsid: DTXSID3061762
formula: C23H27N5O7
inchikey: OHTHBMRATHPWLV-UHFFFAOYSA-N
norman_susdat_id: NS00021018
pubchem_cid: 73747
smiles: CCC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C23H27N5O7/c1-4-23(31)24-22-15-20(27(11-13-34-16(2)29)12-14-35-17(3)30)9-10-21(22)26-25-18-5-7-19(8-6-18)28(32)33/h5-10,15H,4,11-14H2,1-3H3,(H,24,31)/b26-25-


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-methoxy-4-nitrophenyl)azo]phenyl]-
cas: 1533-77-3
chemspiderid: 66389
dtxsid: DTXSID8061763
formula: C23H27N5O8
inchikey: ZQZWTTNVCIXDOF-UHFFFAOYSA-N
norman_susdat_id: NS00024992
pubchem_cid: 73748
smiles: COc1cc(ccc1N=Nc1c(NC(=O)C)cc(cc1)N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-]
inchi:
InChI=1S/C23H27N5O8/c1-15(29)24-22-13-18(27(9-11-35-16(2)30)10-12-36-17(3)31)5-7-20(22)25-26-21-8-6-19(28(32)33)14-23(21)34-4/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)/b26-25+


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-
cas: 1533-78-4
chemspiderid: 66390
dtxsid: DTXSID3061764
formula: C22H24Cl1N5O7
inchikey: ORDDDNUMJXPGOC-UHFFFAOYSA-N
norman_susdat_id: NS00019948
pubchem_cid: 73749
smiles: CC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C22H24ClN5O7/c1-14(29)24-22-13-17(27(8-10-34-15(2)30)9-11-35-16(3)31)4-7-21(22)26-25-20-6-5-18(28(32)33)12-19(20)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)/b26-25+


name: Methyl 2-(4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio) acetate
cas: 1533519-85-5
chemspiderid: 44209340
formula: C18H17N3O2S1
inchikey: COTUIISAXUDHPP-UHFFFAOYSA-N
norman_susdat_id: NS00005845
pubchem_cid: 72720796
smiles: COC(=O)CSc1nncn1-c1ccc(C2CC2)c2ccccc12
inchi:
InChI=1S/C18H17N3O2S/c1-23-17(22)10-24-18-20-19-11-21(18)16-9-8-13(12-6-7-12)14-4-2-3-5-15(14)16/h2-5,8-9,11-12H,6-7,10H2,1H3


name: Triammonium hexachlororhodate
cas: 15336-18-2
formula: Cl6Rh.3H4N
inchikey: BVANUZCBLKOYQI-UHFFFAOYSA-A
norman_susdat_id: NS00085251
smiles: [NH4+].[NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl
inchi:
InChI=1/18ClH.3H3N.3Rh/h18*1H;3*1H3;;;/q;;;;;;;;;;;;;;;;;;;;;3*+6/p-15/r3Cl6Rh.3H3N/c3*1-7(2,3,4,5)6;;;/h;;;3*1H3/p+3


name: 5-Ethyl-1,3-diglycidyl-5-methylhydantoin
cas: 15336-82-0
chemspiderid: 25318
dtxsid: DTXSID9051745
formula: C12H18N2O4
inchikey: JBBURRWEMSTGIX-UHFFFAOYNA-N
norman_susdat_id: NS00024991
pubchem_cid: NA
smiles: CCC1(C)N(CC2CO2)C(=O)N(CC2CO2)C1=O
inchi:
InChI=1S/C12H18N2O4/c1-3-12(2)10(15)13(4-8-6-17-8)11(16)14(12)5-9-7-18-9/h8-9H,3-7H2,1-2H3/t8-,9+,12+/m0/s1


name: Diallyldibutylstannane
cas: 15336-98-8
dtxsid: DTXSID10165316
formula: C14H28Sn
inchikey: LCGVYMRFNOWPGQ-UHFFFAOYSA-N
norman_susdat_id: NS00052019
pubchem_cid: NA
smiles: C=CC[Sn](CC=C)(CCCC)CCCC
inchi:
InChI=1/2C4H9.2C3H5.Sn/c2*1-3-4-2;2*1-3-2;/h2*1,3-4H2,2H3;2*3H,1-2H2;/rC14H28Sn/c1-5-9-13-15(11-7-3,12-8-4)14-10-6-2/h7-8H,3-6,9-14H2,1-2H3


name: Bis(dimethyldithiocarbamato-S,S')manganese
cas: 15339-36-3
formula: C6H12MnN2S4
inchikey: KQUQKVGNBPTEFO-UHFFFAOYSA-L
norman_susdat_id: NS00086058
smiles: CN(C)C(=S)S[Mn]SC(=S)N(C)C
inchi:
InChI=1/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2/rC6H12MnN2S4/c1-8(2)5(10)12-7-13-6(11)9(3)4/h1-4H3


name: Dipotassium camphorate
cas: 1534-11-5
formula: C10H16O4.2K
inchikey: SHLDUUWCIZSISD-UHFFFAOYSA-L
norman_susdat_id: NS00081497
smiles: [K+].[K+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C10H16O4.2K/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;;/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);;/q;2*+1/p-2


name: Taxol C
cas: 153415-45-3
chemspiderid: 8138264
dtxsid: DTXSID00433334
formula: C46H57NO14
inchikey: BEHTXUBGUDGCNQ-IEAAAIHOSA-N
norman_susdat_id: NS00094614
pubchem_cid: 9962663
inchi:
InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1

smiles:
CCCCCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)C1=CC=CC=C1


name: 4-Butyl-4'-ethenyl-1,1'-bi(cyclohexane)
cas: 153429-47-1
chemspiderid: 13990344
dtxsid: DTXSID90599332
formula: C18H32
inchikey: HNJLLLQZSIESBM-UHFFFAOYSA-N
norman_susdat_id: NS00024993
pubchem_cid: 19702460
smiles: CCCCC1CCC(CC1)C1CCC(CC1)C=C
inchi:
InChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h4,15-18H,2-3,5-14H2,1H3/t15-,16-,17-,18-


name: Gavestinel
cas: 153436-22-7
dtxsid: DTXSID90870012
formula: C18H12Cl2N2O3
inchikey: WZBNEZWCNKUOSM-VOTSOKGWSA-N
norman_susdat_id: NS00069212
pubchem_cid: 6450546
smiles: O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1
inchi:
InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+


name: methyl N-(phenoxycarbonyl)-L-valinate
cas: 153441-77-1
chemspiderid: 54915
formula: C13H17N1O4
inchikey: HVZNBHBPOHUKAF-NSHDSACASA-N
norman_susdat_id: NS00003684
pubchem_cid: 60952
smiles: COC(=O)[C@@H](NC(=O)Oc1ccccc1)C(C)C
inchi:
InChI=1S/C13H17NO4/c1-9(2)11(12(15)17-3)14-13(16)18-10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,16)/t11-/m0/s1


name: (3β)-25,26,26,26,27,27,27-Heptafluoro-cholest-5-en-3-ol
cas: 153463-21-9
dtxsid: DTXSID80897495
formula: C27H39F7O
inchikey: DUAIJEYNEJQOCE-OLSVQSNTSA-N
norman_susdat_id: NS00111867
inchi:
InChI=1S/C27H39F7O/c1-16(5-4-12-25(28,26(29,30)31)27(32,33)34)20-8-9-21-19-7-6-17-15-18(35)10-13-23(17,2)22(19)11-14-24(20,21)3/h6,16,18-22,35H,4-5,7-15H2,1-3H3/t16-,18+,19+,20-,21+,22+,23+,24-/m1/s1

smiles:
[H]C(C)(CCCC(F)(C(F)(F)F)C(F)(F)F)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C


name: Lead oleate
cas: 15347-55-4
formula: C18H34O2.xPb
inchikey: PKOHMCZODHTQEB-KVVVOXFISA-N
norman_susdat_id: NS00085304
smiles: [Pb].OC(=O)CCCCCCC/C=C\CCCCCCCC
inchi:
InChI=1/C18H34O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h9-10H,2-8,11-17H2,1H3,(H,19,20);;;/q;+4;;/rC18H34O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H2/q;+4


name: Amoxydramine camsilate
cas: 15350-99-9
formula: C17H21NO2.C10H16O4S
inchikey: RYJTVDSLFJIKMP-STOWLHSFSA-N
norman_susdat_id: NS00084885
smiles: CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.C[N+](C)([O-])CCOC(c3ccccc3)c4ccccc4
inchi:
InChI=1/C17H21NO2.C10H16O4S/c1-18(2,19)13-14-20-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h3-12,17H,13-14H2,1-2H3;7H,3-6H2,1-2H3,(H,12,13,14)


name: Nicofuranose
cas: 15351-13-0
chebiid: CHEBI:135846
chemspiderid: 23791
dtxsid: DTXSID6023365
formula: C30H24N4O10
inchikey: FUWFSXZKBMCSKF-ZASNTINBSA-N
norman_susdat_id: NS00004059
pubchem_cid: 25495
smiles: O[C@]1(COC(=O)c2cccnc2)O[C@H](COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1
inchi:
InChI=1S/C30H24N4O10/c35-26(19-5-1-9-31-13-19)40-17-23-24(42-28(37)21-7-3-11-33-15-21)25(43-29(38)22-8-4-12-34-16-22)30(39,44-23)18-41-27(36)20-6-2-10-32-14-20/h1-16,23-25,39H,17-18H2/t23-,24-,25+,30-/m1/s1


name: Oxyacanthan-12'-ol, 6,6',7-trimethoxy-2,2'-dimethyl-, hydrochloride
cas: 15352-74-6
formula: C37H40N2O6.xClH
inchikey: HXXKIWDUUFTDIG-XZVFQGBBSA-N
norman_susdat_id: NS00084886
smiles: Cl.COc1cc2CCN(C)[C@@H]3Cc4ccc(O)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4
inchi:
InChI=1/C37H40N2O6.ClH/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)17-23-8-11-30(40)31(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33;/h6-11,18-21,28-29,40H,12-17H2,1-5H3;1H


cas: 1535212-07-7
formula: C40H52F4N6O9S
inchikey: MZBLZLWXUBZHSL-FZNJKFJKSA-N
norman_susdat_id: NS00073626
pubchem_cid: 89921642
name:
24-tert-butyl-n-[2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-28-ethyl-13,13-difluoro-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetraazapentacyclo[24.2.1.0³,¹².0?,¹?.0¹?,²?]nonacosa-3(12),4,6,8,10-pentaene-27-carboxamide

inchi:
InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1

smiles:
CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(F)F)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O


name: Plevitrexed
cas: 153537-73-6
dtxsid: DTXSID10165351
formula: C26H25FN8O4
inchikey: IEJSCSAMMLUINT-NRFANRHFSA-N
norman_susdat_id: NS00068714
smiles: C#CCN(Cc1cc2c(=O)nc(C)[nH]c2cc1C)c1ccc(C(=O)N[C@@H](CCc2nnn[nH]2)C(=O)O)c(F)c1
inchi:
InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1


name: Bexarotene
cas: 153559-49-0
chebiid: CHEBI:50859
chemspiderid: 74139
dtxsid: DTXSID1040619
formula: C24H28O2
inchikey: NAVMQTYZDKMPEU-UHFFFAOYSA-N
norman_susdat_id: NS00000606
pubchem_cid: 82146
smiles: CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
inchi:
InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)


name: Lg 100268
cas: 153559-76-3
dtxsid: DTXSID90165354
formula: C24H29NO2
inchikey: SLXTWXQUEZSSTJ-UHFFFAOYSA-N
norman_susdat_id: NS00069509
pubchem_cid: 3922
smiles: Cc1cc2c(cc1C1(c3ccc(C(=O)O)cn3)CC1)C(C)(C)CCC2(C)C
inchi:
InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)


name: 1-[(5a,7a)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
cas: 15358-22-2
dtxsid: DTXSID10934781
formula: C23H27NO4
inchikey: DGSADVAMZWFCMP-LLGZQOTFSA-N
norman_susdat_id: NS00052757
pubchem_cid: 84879
smiles: O=C(C)C1CC23C=CC1(OC)C4OC=5C(OC)=CC=C6C5C43CCN(C)C2C6
inchi:
InChI=1/C23H27NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-8,15,17,20H,9-12H2,1-4H3


name: 11-(Perfluorooctyl)undec-10-enol
cas: 15364-19-9
chemspiderid: 4647406
dtxsid: DTXSID10880219
formula: C19H21F17O1
inchikey: MUCVGEGAZDOIDJ-CSKARUKUSA-N
norman_susdat_id: NS00018786
pubchem_cid: 5708700
smiles: OCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2/b10-8+


name: sec-butylmagnesium chloride
cas: 15366-08-2
formula: C4H9ClMg
inchikey: MJHZUYZQMNONPK-UHFFFAOYSA-M
norman_susdat_id: NS00085284
smiles: [Cl-].CCC(C)[Mg+]
inchi:
InChI=1/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q;;+1/p-1/rC4H9Mg.ClH/c1-3-4(2)5;/h4H,3H2,1-2H3;1H/q+1;/p-1


name: Androsta-1,4,9(11)-triene-3,17-dione
cas: 15375-21-0
chemspiderid: 8441286
dtxsid: DTXSID90437629
formula: C19H22O2
inchikey: NNPWVPDIRNJLIN-UHFFFAOYSA-N
norman_susdat_id: NS00009349
pubchem_cid: 19035759
smiles: CC12CC=C3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
inchi:
InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7-9,11,14-15H,3-6,10H2,1-2H3


name: N1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide
cas: 15376-53-1
dtxsid: DTXSID70864590
formula: C11H14N2O5
inchikey: PIVQDUYOEIAFDM-GHMZBOCLSA-N
norman_susdat_id: NS00068245
smiles: CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
inchi:
InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1


name: MAM2201 N-pentanoic acid metabolite
cas: 1537889-09-0
chemspiderid: 29341869
formula: C25H23N1O3
inchikey: CXHVTSVFMMQERU-UHFFFAOYSA-N
norman_susdat_id: NS00017254
pubchem_cid: 91864527
smiles: CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCC(=O)O
inchi:
InChI=1S/C25H23NO3/c1-17-13-14-21(19-9-3-2-8-18(17)19)25(29)22-16-26(15-7-6-12-24(27)28)23-11-5-4-10-20(22)23/h2-5,8-11,13-14,16H,6-7,12,15H2,1H3,(H,27,28)


name: Benzylpenicillin-Benzathin
cas: 1538-09-6
inchikey: BVGLIYRKPOITBQ-UHFFFAOYSA-N
norman_susdat_id: NS00078741
smiles:
C(CNCc1ccccc1)NCc1ccccc1.CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(O)=O.CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(O)=O


name: Bis(acetato-O-)triphenylantimony
cas: 1538-62-1
formula: C22H21O4Sb
inchikey: MPOFCRCFZPKTCF-UHFFFAOYSA-L
norman_susdat_id: NS00082743
smiles: CC(=O)O[Sb](OC(=O)C)(c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5.2C2H4O2.Sb/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2/rC22H21O4Sb/c1-18(23)25-27(26-19(2)24,20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,1-2H3


name: Ertapenem
cas: 153832-46-3
chebiid: CHEBI:404903
chemspiderid: 132758
dtxsid: DTXSID50165456
formula: C22H25N3O7S1
inchikey: JUZNIMUFDBIJCM-ANEDZVCMSA-N
norman_susdat_id: NS00006103
pubchem_cid: 150610
smiles: C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)Nc3cccc(c3)C(O)=O)=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1


name: 4-[(5-chloro-2-hydroxy-3-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
cas: 15394-93-1
formula: C16H13ClN5O4
inchikey: OJTGJINHHPXTJI-UHFFFAOYSA-N
norman_susdat_id: NS00051988
pubchem_cid: 135853497
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC(=C2O)[N+](=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H12ClN5O4/c1-9-14(16(24)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)23)22(25)26/h2-8,14,23H,1H3


name: Lincomycin
cas: 154-21-2
chebiid: CHEBI:6472
chemspiderid: 2272112
dtxsid: DTXSID3023215
formula: C18H34N2O6S1
inchikey: OJMMVQQUTAEWLP-KIDUDLJLSA-N
norman_susdat_id: NS00000025
pubchem_cid: 3000540
smiles: CCC[C@@H]1C[C@H](N(C1)C)/C(=N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O)/O
inchi:
InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1


name: Cianidanol
cas: 154-23-4
chebiid: CHEBI:15600
chemspiderid: 8711
dtxsid: DTXSID3022322
formula: C15H14O6
inchikey: PFTAWBLQPZVEMU-DZGCQCFKSA-N
norman_susdat_id: NS00004541
pubchem_cid: 9064
smiles: O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
inchi:
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1


name: Tripelennamine hydrochloride
cas: 154-69-8
formula: C16H21N3.ClH
inchikey: FSSICIQKZGUEAE-UHFFFAOYSA-N
norman_susdat_id: NS00079275
smiles: Cl.CN(C)CCN(Cc1ccccc1)c2ccccn2
inchi:
InChI=1/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H


name: Cocarboxylase
cas: 154-87-0
chebiid: CHEBI:18290
dtxsid: DTXSID6046262
formula: C12H19N4O7P2S
inchikey: YXVCLPJQTZXJLH-UHFFFAOYSA-N
norman_susdat_id: NS00041523
pubchem_cid: 1132
smiles: [Cl-].O=P(O)(O)OP(=O)(O)OCCC=1SC=[N+](C1C)CC2=CN=C(N=C2N)C
inchi:
InChI=1/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H


name: N-a-benzoyl-L-arginine
cas: 154-92-7
chebiid: CHEBI:90086
formula: C13H18N4O3
inchikey: RSYYQCDERUOEFI-JTQLQIEISA-N
norman_susdat_id: NS00041542
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C=1C=CC=CC1)CCCNC(=N)N
inchi:
InChI=1/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)


name: Diethyl 5,5'-methylenedianthranilate
cas: 15403-44-8
chemspiderid: 76585
dtxsid: DTXSID40165521
formula: C19H22N2O4
inchikey: HQNXNKDEVVRPSA-UHFFFAOYSA-N
norman_susdat_id: NS00025005
pubchem_cid: 84895
smiles: CCOC(=O)c1cc(Cc2ccc(N)c(c2)C(=O)OCC)ccc1N
inchi:
InChI=1S/C19H22N2O4/c1-3-24-18(22)14-10-12(5-7-16(14)20)9-13-6-8-17(21)15(11-13)19(23)25-4-2/h5-8,10-11H,3-4,9,20-21H2,1-2H3


name: 1-(Methylamino)-4-((1-methylethyl)amino)anthraquinone
cas: 15403-56-2
chemspiderid: 76586
dtxsid: DTXSID00165522
formula: C18H18N2O2
inchikey: VPUMFVBIIVCLPO-UHFFFAOYSA-N
norman_susdat_id: NS00021019
pubchem_cid: 84896
smiles: CNc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(C)C)cc1
inchi:
InChI=1S/C18H18N2O2/c1-10(2)20-14-9-8-13(19-3)15-16(14)18(22)12-7-5-4-6-11(12)17(15)21/h4-10,19-20H,1-3H3


name: Microcystin LF
cas: 154037-70-4
chemspiderid: 4946344
dtxsid: DTXSID00891475
formula: C52H71N7O12
inchikey: FEVBMCJUKWWWBT-BNIOFCGNSA-N
norman_susdat_id: NS00000581
pubchem_cid: 6442256
inchi:
InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+

smiles:
O=C(O)C2NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(C(=O)O)NC(=O)C(C)C(C=CC(=CC(C)C(OC)Cc1ccccc1)C)NC(=O)C(NC(=O)C2C)Cc3ccccc3)C)C)CC(C)C


name: Marimastat
cas: 154039-60-8
chebiid: CHEBI:50662
dtxsid: DTXSID20165524
formula: C15H29N3O5
inchikey: OCSMOTCMPXTDND-OUAUKWLOSA-N
norman_susdat_id: NS00068619
pubchem_cid: 119031
smiles: CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C
inchi:
InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1


name: Veratvirine (1-Hydroxy-5,6-dihydro-jervin)
cas: 154067-32-0
chemspiderid: 76320394
formula: C27H41NO4
inchikey: RGTMFUMMFMNSOX-HYHDOKNVSA-N
norman_susdat_id: NS00094298
pubchem_cid: 31111537
smiles:
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@H]6C[C@H](C[C@@H]([C@@]6([C@H]5C(=O)C4=C3C)C)O)O)C)NC1


name: Salicylic acid, bismuth(3+) salt
cas: 15414-77-4
formula: C7H6O3.xBi
inchikey: HMCCEPFNULSJDL-UHFFFAOYSA-M
norman_susdat_id: NS00085287
smiles: [BiH3+3].Oc1ccccc1C(=O)[O-]
inchi:
InChI=1/C7H6O3.Bi.3H/c8-6-4-2-1-3-5(6)7(9)10;;;;/h1-4,8H,(H,9,10);;;;/q;+3;;;/p-1/rC7H6O3.BiH3/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);1H3/q;+3/p-1


cas: 154159-07-6
dtxsid: DTXSID70882991
norman_susdat_id: NS00111348
name:
Poly(difluoromethylene), .alpha.,.alpha.′-[1,2-phenylenebis(carbonyloxy-2,1-ethanediyl)]bis[.omega.-(trifluoromethyl)-


name: Laurylpyridinium
cas: 15416-74-7
dtxsid: DTXSID40165546
formula: C17H30N
inchikey: FFYRIXSGFSWFAQ-UHFFFAOYSA-N
norman_susdat_id: NS00114372
inchi:
InChI=1S/C17H30N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/q+1


name: Bis(acetato-O)hydroxychromium
cas: 15417-46-6
formula: C4H7CrO5
inchikey: VQURXAGHTBOKHL-UHFFFAOYSA-K
norman_susdat_id: NS00084909
smiles: CC(=O)O[Cr](O)OC(=O)C
inchi:
InChI=1/2C2H4O2.Cr.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/rC4H7CrO5/c1-3(6)9-5(8)10-4(2)7/h8H,1-2H3


cas: 154171-76-3
norman_susdat_id: NS00076117
name:
Dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene], hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-


cas: 154171-77-4
chemspiderid: 95833
dtxsid: DTXSID6051350
formula: C17H28O2
inchikey: RTPMDRYHLHGFGT-XEZPLFJOSA-N
norman_susdat_id: NS00019509
pubchem_cid: 118976605
smiles: CC1(C)[C@H]2CC[C@]3(C2)[C@H]1C1(CCC3(C)C)OCCO1
name:
Spiro[1,3-dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene],hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-

inchi:
InChI=1S/C17H28O2/c1-14(2)7-8-17(18-9-10-19-17)13-15(3,4)12-5-6-16(13,14)11-12/h12-13H,5-11H2,1-4H3/t12-,13-,16-/m0/s1


name: 10-[3-(dimethylammonio)propyl]-10H-phenothiazinium hydrogen phosphate
cas: 15421-37-1
formula: C17H20N2S.H3O4P
inchikey: WACBFIAINLBXOM-UHFFFAOYSA-M
norman_susdat_id: NS00086098
smiles: C[NH+](C)CCC[NH+]1c2ccccc2Sc3ccccc13.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C17H20N2S.H3O4P/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;1-5(2,3)4/h3-6,8-11H,7,12-13H2,1-2H3;(H3,1,2,3,4)/p-1


name: 2-diethylaminoethyl a-cyclopentyl-a-2-thienylglycollate
cas: 15421-88-2
formula: C17H27NO3S
inchikey: ASXBIKGZCPZCAN-UHFFFAOYSA-N
norman_susdat_id: NS00085352
smiles: CCN(CC)CCOC(=O)C(O)(C1CCCC1)c2cccs2
inchi:
InChI=1/C17H27NO3S/c1-3-18(4-2)11-12-21-16(19)17(20,14-8-5-6-9-14)15-10-7-13-22-15/h7,10,13-14,20H,3-6,8-9,11-12H2,1-2H3


name: Abiraterone
cas: 154229-19-3
chemspiderid: 117349
dtxsid: DTXSID80879993
formula: C24H31N1O1
inchikey: GZOSMCIZMLWJML-UHFFFAOYSA-N
norman_susdat_id: NS00040657
pubchem_cid: 132971
smiles: CC12CCC3C(CC=C4CC(O)CCC34C)C1CC=C2c1cccnc1
inchi:
InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3


name: 9-fluoro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17-valerate
cas: 15423-85-5
dtxsid: DTXSID10165573
formula: C27H37FO5
inchikey: TYNWNTXJZVLQLQ-VADKKIFPSA-N
norman_susdat_id: NS00052796
pubchem_cid: 21116143
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCCC)(C(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C27H37FO5/c1-6-7-8-23(32)33-27(17(3)29)16(2)13-21-20-10-9-18-14-19(30)11-12-24(18,4)26(20,28)22(31)15-25(21,27)5/h11-12,14,16,20-22,31H,6-10,13,15H2,1-5H3


name: Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)-
cas: 154279-60-4
chemspiderid: 10633153
dtxsid: DTXSID80870021
formula: C21H42N2
inchikey: PICLBAFTFYTURY-UHFFFAOYSA-N
norman_susdat_id: NS00001977
pubchem_cid: 21885336
smiles: CCC(C)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1
inchi:
InChI=1S/C21H42N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h16-23H,5-15H2,1-4H3


name: Almotriptan
cas: 154323-57-6
chebiid: CHEBI:520985
chemspiderid: 110198
dtxsid: DTXSID5044289
formula: C17H25N3O2S1
inchikey: WKEMJKQOLOHJLZ-UHFFFAOYSA-N
norman_susdat_id: NS00014315
pubchem_cid: 123606
smiles: CN(C)CCc1c[nH]c2ccc(C[S](=O)(=O)N3CCCC3)cc12
inchi:
InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3


name: Tetramethyl 3,8,13,17-tetrakis(2-methoxy-2-oxoethyl)-21H,23H-porphine-2,7,12,18-tetrapropionate
cas: 15435-60-6
formula: C48H60N4O16
inchikey: TUMXQZLUOQKFJZ-UHFFFAOYSA-N
norman_susdat_id: NS00051605
pubchem_cid: NA
inchi:
InChI=1/C48H52N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-35-27(11-15-43(55)63-3)30(18-46(58)66-6)38(51-35)23-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)24-39-31(19-47(59)67-7)26(10-14-42(54)62-2)34(50-39)21-33(25)49-37/h21-24H,9-20H2,1-8H3

smiles:
O=C(OC)CC=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CCC(=O)OC)CC(=O)OC)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC)C1CCC(=O)OC


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-N-hydroxyoctanamide
cas: 15435-88-8
dtxsid: DTXSID00526457
formula: C8H2F15NO2
inchikey: YJYYFHCNTDFUQW-UHFFFAOYSA-N
norman_susdat_id: NS00108814
smiles: ONC(=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/C8H2F15NO2/c9-2(10,1(25)24-26)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h26H,(H,24,25)


name: Atreleuton
cas: 154355-76-7
dtxsid: DTXSID10165598
formula: C16H15FN2O2S
inchikey: MMSNEKOTSJRTRI-LLVKDONJSA-N
norman_susdat_id: NS00068116
pubchem_cid: 3086671
smiles: C[C@H](C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O
inchi:
InChI=1S/C16H15FN2O2S/c1-11(19(21)16(18)20)2-7-14-8-9-15(22-14)10-12-3-5-13(17)6-4-12/h3-6,8-9,11,21H,10H2,1H3,(H2,18,20)/t11-/m1/s1


name: Capecitabine
cas: 154361-50-9
chebiid: CHEBI:31348
chemspiderid: 54916
dtxsid: DTXSID3046451
formula: C15H22F1N3O6
inchikey: GAGWJHPBXLXJQN-UORFTKCHSA-N
norman_susdat_id: NS00000464
pubchem_cid: 60953
smiles: FC=1C(=N/C(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)C)NC(=O)OCCCCC
inchi:
InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1


name: Desmethoxyacetyliopromid
cas: 154361-51-0
chemspiderid: 48059583
formula: C15H20I3N3O6
inchikey: FTNNWQKXUALWMW-UHFFFAOYSA-N
norman_susdat_id: NS00003504
pubchem_cid: 57587548
smiles: CN(CC(O)CO)C(=O)c1c(I)c(N)c(I)c(C(=O)NCC(O)CO)c1I
inchi:
InChI=1S/C15H20I3N3O6/c1-21(3-7(25)5-23)15(27)9-10(16)8(11(17)13(19)12(9)18)14(26)20-2-6(24)4-22/h6-7,22-25H,2-5,19H2,1H3,(H,20,26)


name: N-[3-(trimethoxysilyl)propyl]perfluorohexanamide
cas: 154380-34-4
dtxsid: DTXSID80893356
formula: C13H18F11NO4Si
inchikey: KOHZARWDVORSLE-UHFFFAOYSA-N
norman_susdat_id: NS00111702
smiles: CCO[Si](CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
inchi:
InChI=1S/C13H18F11NO4Si/c1-4-29-30(27-2,28-3)7-5-6-25-8(26)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h4-7H2,1-3H3,(H,25,26)


name: 1,1'-isopropylidenebis[4-(1,1,2,2-tetrafluoroethoxy)benzene]
cas: 1544-19-0
dtxsid: DTXSID20165620
formula: C19H16F8O2
inchikey: NILNWNGNABYYHH-UHFFFAOYSA-N
norman_susdat_id: NS00048955
pubchem_cid: 73765
smiles: FC(F)C(F)(F)OC1=CC=C(C=C1)C(C2=CC=C(OC(F)(F)C(F)F)C=C2)(C)C
inchi:
InChI=1/C19H16F8O2/c1-17(2,11-3-7-13(8-4-11)28-18(24,25)15(20)21)12-5-9-14(10-6-12)29-19(26,27)16(22)23/h3-10,15-16H,1-2H3


name: 3-Hydroxy-3,5-dihydro ML-236C
cas: 154417-69-3
dtxsid: DTXSID80165626
formula: C18H29NaO5
inchikey: XBTWFFUSHWXAQH-WZLXKUJHSA-M
norman_susdat_id: NS00075358
smiles: [Na+].C[C@H]1[C@H](O)C=C2CCCC[C@@H]2[C@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O
inchi:
InChI=1S/C18H30O5.Na/c1-11-15(7-6-13(19)9-14(20)10-18(22)23)16-5-3-2-4-12(16)8-17(11)21;/h8,11,13-17,19-21H,2-7,9-10H2,1H3,(H,22,23);/q;+1/p-1/t11-,13-,14-,15+,16+,17-;/m1./s1


name: Protoporphyrin
cas: 15442-64-5
dtxsid: DTXSID90859483
formula: C34H34N4O4
inchikey: KSFOVUSSGSKXFI-UHFFFAOYSA-N
norman_susdat_id: NS00099297
smiles: C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C=C
inchi:
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)


name: Acetamide, N,N'-(azodi-4,1-phenylene)bis-
cas: 15446-39-6
chemspiderid: 21160374
dtxsid: DTXSID6065890
formula: C16H16N4O2
inchikey: JLFZFBSUNFGETA-UHFFFAOYSA-N
norman_susdat_id: NS00025019
pubchem_cid: 27289
smiles: CC(=O)Nc1ccc(cc1)N=Nc1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C16H16N4O2/c1-11(21)17-13-3-7-15(8-4-13)19-20-16-9-5-14(6-10-16)18-12(2)22/h3-10H,1-2H3,(H,17,21)(H,18,22)/b20-19-


cas: 154477-55-1
chemspiderid: 28536333
dtxsid: DTXSID00743248
formula: C33H41N1O4
inchikey: UETFAILCJZLHOM-UHFFFAOYSA-N
norman_susdat_id: NS00009558
pubchem_cid: 70700402
smiles: COC(=O)C(C)(C)c1ccc(CCCCON2CCC(CC2)C(c2ccccc2)c2ccc(O)cc2)cc1
name:
Methyl 2-{4-[4-({4-[(4-hydroxyphenyl)(phenyl)methyl]piperidin-1-yl}oxy)butyl]phenyl}-2-methylpropanoate

inchi:
InChI=1S/C33H41NO4/c1-33(2,32(36)37-3)29-16-12-25(13-17-29)9-7-8-24-38-34-22-20-28(21-23-34)31(26-10-5-4-6-11-26)27-14-18-30(35)19-15-27/h4-6,10-19,28,31,35H,7-9,20-24H2,1-3H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorododecane
cas: 154478-87-2
dtxsid: DTXSID60895252
formula: C12H5F21
inchikey: HUPGRQWHZOWFPQ-UHFFFAOYSA-N
norman_susdat_id: NS00111024
smiles: CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H5F21/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/h2H2,1H3


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Tricosafluorotridecan-1-ol
cas: 1545-59-1
dtxsid: DTXSID10551730
formula: C13H5F23O
inchikey: IGLKFKBLLGNRCU-UHFFFAOYSA-N
norman_susdat_id: NS00109171
smiles: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H5F23O/c14-3(15,1-2-37)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)13(34,35)36/h37H,1-2H2


name: 2H-1,3-Benzoxazine, 6,6'-(1-methylethylidene)bis[3,4-dihydro-3-phenyl-
cas: 154505-70-1
chemspiderid: 9213085
dtxsid: DTXSID60452844
formula: C31H30N2O2
inchikey: NAEJIUKUFIHRKT-UHFFFAOYSA-N
norman_susdat_id: NS00020154
pubchem_cid: 11037911
smiles: CC(C)(c1cc2c(OCN(C2)c2ccccc2)cc1)c1cc2c(OCN(C2)c2ccccc2)cc1
inchi:
InChI=1S/C31H30N2O2/c1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28/h3-18H,19-22H2,1-2H3


name: Phenol, 2,2'-sulfonylbis[4-(1,1,3,3-tetramethylbutyl)-
cas: 15452-89-8
chemspiderid: 76611
dtxsid: DTXSID6065892
formula: C28H42O4S1
inchikey: LMTGYJHIOQZSAA-UHFFFAOYSA-N
norman_susdat_id: NS00007922
pubchem_cid: 84923
smiles: CC(C)(C)CC(C)(C)c1ccc(O)c(c1)S(=O)(=O)c1cc(ccc1O)C(C)(C)CC(C)(C)C
inchi:
InChI=1S/C28H42O4S/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)33(31,32)24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6/h11-16,29-30H,17-18H2,1-10H3


cas: 154532-82-8
dtxsid: DTXSID20882820
norman_susdat_id: NS00109621
name:
Benzoic acid, ethenyl ester, polymer with propanoic acid, 2,2-dimethyl-, ethenyl ester, 1-butanol 4-(ethenyloxy)-, 1-propene, 2-methyl- and ethene, tetrafluoro-


name: Efavirenz
cas: 154598-52-4
chebiid: CHEBI:119486
chemspiderid: 57715
dtxsid: DTXSID9046029
formula: C14H9Cl1F3N1O2
inchikey: XPOQHMRABVBWPR-ZDUSSCGKSA-N
norman_susdat_id: NS00000604
pubchem_cid: 64139
smiles: C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
inchi:
InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1


name: 3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one
cas: 15462-91-6
dtxsid: DTXSID40935029
formula: C22H26O6
inchikey: ZWUMDFWFKWDFBI-UHFFFAOYSA-N
norman_susdat_id: NS00052516
pubchem_cid: 85853
smiles: O=C(C1=CC=C(OC)C(OC)=C1)C2=CC(OC)=C(OC)C=C2C(C(=O)C)CC
inchi:
InChI=1/C22H26O6/c1-7-15(13(2)23)16-11-20(27-5)21(28-6)12-17(16)22(24)14-8-9-18(25-3)19(10-14)26-4/h8-12,15H,7H2,1-6H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicosane
cas: 154628-00-9
dtxsid: DTXSID10381978
formula: C20H29F13
inchikey: BREOHRVZEZMFOB-UHFFFAOYSA-N
norman_susdat_id: NS00109153
smiles: CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H29F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h2-14H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotetracosane
cas: 154628-01-0
dtxsid: DTXSID10776885
formula: C24H37F13
inchikey: UKFBBTCWDMDAGL-UHFFFAOYSA-N
norman_susdat_id: NS00109201
smiles: CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C24H37F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h2-18H2,1H3


name: Koninginin E
cas: 154631-25-1
chemspiderid: 9600941
dtxsid: DTXSID00891814
formula: C16H26O4
inchikey: INHVGPIPHZJQOP-ZNMIVQPWSA-N
norman_susdat_id: NS00094886
pubchem_cid: 11426065
smiles: CCCCCC[C@@H]([C@@H]1CCC2=C(O1)[C@@H](CCC2=O)O)O
inchi:
InChI=1S/C16H26O4/c1-2-3-4-5-6-13(18)15-10-7-11-12(17)8-9-14(19)16(11)20-15/h13-15,18-19H,2-10H2,1H3/t13-,14+,15-/m0/s1


name: Tetraphenylphosphonium phenolate
cas: 15464-47-8
formula: C24H20P.C6H5O
inchikey: ZLLNYWQSSYUXJM-UHFFFAOYSA-M
norman_susdat_id: NS00084992
smiles: [O-]c1ccccc1.c2ccc(cc2)[P+](c3ccccc3)(c4ccccc4)c5ccccc5
inchi:
InChI=1/C24H20P.C6H6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;7-6-4-2-1-3-5-6/h1-20H;1-5,7H/q+1;/p-1


name: Tezampanel
cas: 154652-83-2
formula: C13H21N5O2
inchikey: ZXFRFPSZAKNPQQ-YTWAJWBKSA-N
norman_susdat_id: NS00069949
pubchem_cid: 127894
smiles: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1
inchi:
InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1


name: Lithium ricinoleate
cas: 15467-06-8
formula: C18H34O3.Li
inchikey: UWZUWNMEIDBHOF-DPMBMXLASA-M
norman_susdat_id: NS00085110
smiles: [Li+].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O3.Li/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1


name: Bis(2-ethylhexyl) 4,4'-{6-[4-tert-butylcarbamoyl)anilino]-1,3,5-triazine-2,4-diyldiimino}dibenzoate
cas: 154702-15-5
chemspiderid: 7986571
formula: C44H59N7O5
inchikey: OSCJHTSDLYVCQC-UHFFFAOYSA-N
norman_susdat_id: NS00006296
pubchem_cid: 9810816
smiles: CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(=O)NC(C)(C)C)nc(Nc3ccc(cc3)C(=O)OCC(CC)CCCC)n2)cc1
inchi:
InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)


name: 2,7-Naphthalenedisulfonic acid, 3-[(4-aminophenyl)azo]-4,5-dihydroxy-
cas: 15475-84-0
chemspiderid: 7845587
dtxsid: DTXSID1065895
formula: C16H13N3O8S2
inchikey: IWOSIGNANKUKIQ-UHFFFAOYSA-N
norman_susdat_id: NS00025025
pubchem_cid: NA
smiles: Nc1ccc(N/N=C/2C(=O)c3c(cc(cc3O)S(=O)(=O)O)C=C2S(=O)(=O)O)cc1
inchi:
InChI=1S/C16H13N3O8S2/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21/h1-7,18,20H,17H2,(H,22,23,24)(H,25,26,27)/b19-15-


name: Diethyl[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium chloride
cas: 15475-92-0
dtxsid: DTXSID90935059
formula: C25H29N2
inchikey: QPMPOXXSMJFBNK-UHFFFAOYSA-M
norman_susdat_id: NS00051685
pubchem_cid: 15793199
smiles: [Cl-].C=1C=CC(=CC1)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](CC)CC
inchi:
InChI=1/C25H29N2.ClH/c1-5-27(6-2)24-18-14-22(15-19-24)25(20-10-8-7-9-11-20)21-12-16-23(17-13-21)26(3)4;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1


name: Mitemcinal
cas: 154802-96-7
dtxsid: DTXSID00870028
formula: C40H69NO12
inchikey: BELMMAAWNYFCGF-PZXAHSFZSA-N
norman_susdat_id: NS00073014
pubchem_cid: 6918267
inchi:
InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1

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


name: Bis(benzoylthio)dioctylstannane
cas: 15481-47-7
dtxsid: DTXSID30165732
formula: C30H44O2S2Sn
inchikey: PLIJRLOOGIUVIU-UHFFFAOYSA-L
norman_susdat_id: NS00052517
pubchem_cid: NA
smiles: O=C(S[Sn](SC(=O)C=1C=CC=CC1)(CCCCCCCC)CCCCCCCC)C=2C=CC=CC2
inchi:
InChI=1/2C8H17.2C7H6OS.Sn/c2*1-3-5-7-8-6-4-2;2*8-7(9)6-4-2-1-3-5-6;/h2*1,3-8H2,2H3;2*1-5H,(H,8,9);/q;;;;+2/p-2/rC30H44O2S2Sn/c1-3-5-7-9-11-19-25-35(26-20-12-10-8-6-4-2,33-29(31)27-21-15-13-16-22-27)34-30(32)28-23-17-14-18-24-28/h13-18,21-24H,3-12,19-20,25-26H2,1-2H3


name: Bis(benzoylthio)dibutylstannane
cas: 15481-48-8
dtxsid: DTXSID90165733
formula: C22H28O2S2Sn
inchikey: BRIMXLZSNXEUEL-UHFFFAOYSA-L
norman_susdat_id: NS00051313
pubchem_cid: NA
smiles: O=C(S[Sn](SC(=O)C=1C=CC=CC1)(CCCC)CCCC)C=2C=CC=CC2
inchi:
InChI=1/2C7H6OS.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H28O2S2Sn/c1-3-5-17-27(18-6-4-2,25-21(23)19-13-9-7-10-14-19)26-22(24)20-15-11-8-12-16-20/h7-16H,3-6,17-18H2,1-2H3


name: Phenol, 2-[4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-
cas: 154825-62-4
chemspiderid: 8467204
dtxsid: DTXSID10889025
formula: C22H17N3O2
inchikey: VARDNKCBWBOEBW-UHFFFAOYSA-N
norman_susdat_id: NS00008619
pubchem_cid: NA
smiles: COc1ccc(cc1)-c1nc(nc(n1)-c1ccccc1O)-c1ccccc1
inchi:
InChI=1S/C22H17N3O2/c1-27-17-13-11-16(12-14-17)21-23-20(15-7-3-2-4-8-15)24-22(25-21)18-9-5-6-10-19(18)26/h2-14,26H,1H3


name: Cholest-5-en-3ß-yl 2-(2-ethoxyethoxy)ethyl carbonate
cas: 15484-00-1
dtxsid: DTXSID00935080
formula: C34H58O5
inchikey: SPLKPGBQKGWBGV-DYQRUOQXSA-N
norman_susdat_id: NS00052518
pubchem_cid: 2734986
smiles: O=C(OCCOCCOCC)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C34H58O5/c1-7-36-19-20-37-21-22-38-32(35)39-27-15-17-33(5)26(23-27)11-12-28-30-14-13-29(25(4)10-8-9-24(2)3)34(30,6)18-16-31(28)33/h11,24-25,27-31H,7-10,12-23H2,1-6H3


name: 4-amino-a-(4-aminocyclohexyl)cyclohexylmethyl carbamate
cas: 15484-34-1
dtxsid: DTXSID10864594
formula: C14H27N3O2
inchikey: WTRTWNXSQAXYMT-UHFFFAOYSA-N
norman_susdat_id: NS00051699
pubchem_cid: 84938
smiles: O=C(OC(C1CCC(N)CC1)C2CCC(N)CC2)N
inchi:
InChI=1/C14H27N3O2/c15-11-5-1-9(2-6-11)13(19-14(17)18)10-3-7-12(16)8-4-10/h9-13H,1-8,15-16H2,(H2,17,18)


name: 2-Carbethoxy-5,7-dihydroxy-4'-methoxyisoflavone
cas: 15485-76-4
chemspiderid: 4528519
dtxsid: DTXSID10165750
formula: C19H16O7
inchikey: WIXLQXLEPYJDRJ-UHFFFAOYSA-N
norman_susdat_id: NS00025028
pubchem_cid: 5380187
smiles: CCOC(=O)c1c(c(=O)c2c(o1)cc(O)cc2O)c1ccc(OC)cc1
inchi:
InChI=1S/C19H16O7/c1-3-25-19(23)18-15(10-4-6-12(24-2)7-5-10)17(22)16-13(21)8-11(20)9-14(16)26-18/h4-9,20-21H,3H2,1-2H3


name: 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
cas: 15486-33-6
chebiid: CHEBI:146145
chemspiderid: 4527561
dtxsid: DTXSID70165751
formula: C17H14O6
inchikey: KZBAXKKOXPLOBX-UHFFFAOYSA-N
norman_susdat_id: NS00025030
pubchem_cid: 5378823
smiles: COc1ccc(cc1)c1c(O)c(=O)c2c(o1)cc(OC)cc2O
inchi:
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)17-16(20)15(19)14-12(18)7-11(22-2)8-13(14)23-17/h3-8,18,20H,1-2H3


name: Kaempferol trimethylether
cas: 15486-34-7
chemspiderid: 4579393
dtxsid: DTXSID30165752
formula: C18H16O6
inchikey: WSQWAMGRHJQANC-UHFFFAOYSA-N
norman_susdat_id: NS00025031
pubchem_cid: 5468749
smiles: COc1ccc(cc1)c1c(OC)c(=O)c2c(o1)cc(OC)cc2O
inchi:
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3


name: 2,4-Dinitrophenyl 2-deoxy-2-fluoro-4-O-hexopyranosylhexopyranoside
cas: 154862-23-4
dtxsid: DTXSID40935084
formula: C18H23FN2O14
inchikey: WFVCNOHOODVBQK-IUBYCILNSA-N
norman_susdat_id: NS00071771
pubchem_cid: 445981
inchi:
InChI=1S/C18H23FN2O14/c19-11-13(25)16(35-18-15(27)14(26)12(24)9(4-22)33-18)10(5-23)34-17(11)32-8-2-1-6(20(28)29)3-7(8)21(30)31/h1-3,9-18,22-27H,4-5H2/t9-,10-,11-,12-,13-,14+,15-,16-,17-,18+/m1/s1

smiles:
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1


name: 3,9-Bis(2,4-dicumylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
cas: 154862-43-8
chemspiderid: 144210
dtxsid: DTXSID0047119
formula: C53H58O6P2
inchikey: WBWXVCMXGYSMQA-UHFFFAOYSA-N
norman_susdat_id: NS00007966
pubchem_cid: 164499
inchi:
InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3

smiles:
CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(cc2C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)OC3)c(c1)C(C)(C)c1ccccc1


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregn-4-ene-3,20-dione 21-acetate
cas: 1549-35-5
dtxsid: DTXSID10935091
formula: C24H33FO6
inchikey: MOWWOWAMHCZEEC-QZIXMDIESA-N
norman_susdat_id: NS00047601
pubchem_cid: 102142
smiles: O=C(OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C)C
inchi:
InChI=1/C24H33FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h10,13,17-19,28,30H,5-9,11-12H2,1-4H3


cas: 154946-66-4
dtxsid: DTXSID30890471
formula: C17H29ClN8O7S2
inchikey: URQPXZZLPPNVLK-UHFFFAOYSA-P
norman_susdat_id: NS00112845
name:
Benzenesulfonic acid, 4-chloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5-methyl-, ammonium salt (1:2)

inchi:
InChI=1/C17H15ClN4O7S2.4H3N/c1-9-6-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-4-3-5-12(7-11)30(24,25)26;;;;/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29);4*1H3/p+2

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].CC1=NN(C(=O)C1N=NC1=CC(Cl)=C(C)C=C1S([O-])(=O)=O)C1=CC=CC(=C1)S([O-])(=O)=O


cas: 154965-63-6
dtxsid: DTXSID40882701
norman_susdat_id: NS00110295
name:
2-Propenoic acid, esters, 2-methyl-, butyl ester, polymer with 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-propenoate, 2-hydroxyethyl 2-methyl-2-propenoate and methyl 2-methyl-2-propenoate, block


name: 9,10-epoxyoctadecanamide
cas: 15498-10-9
dtxsid: DTXSID00935106
formula: C18H35NO2
inchikey: PIBPDMARGRAGIJ-UHFFFAOYSA-N
norman_susdat_id: NS00051843
pubchem_cid: 85859
smiles: O=C(N)CCCCCCCC1OC1CCCCCCCC
inchi:
InChI=1/C18H35NO2/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H2,19,20)


name: 2-Butenedioic acid (2Z)-, 1,2-ethanediyl ester
cas: 15498-42-7
chemspiderid: 4941060
dtxsid: DTXSID3065902
formula: C10H10O8
inchikey: SORHAFXJCOXOIC-UHFFFAOYSA-N
norman_susdat_id: NS00025034
pubchem_cid: 84949
smiles: OC(=O)/C=CC(=O)OCCOC(=O)/C=CC(=O)O
inchi:
InChI=1S/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1-,4-2-


name: Heptadecafluorooctyl prop-2-enoate
cas: 15498-45-0
dtxsid: DTXSID40572135
formula: C11H3F17O2
inchikey: OFHKMSIZNZJZKM-UHFFFAOYSA-N
norman_susdat_id: NS00110224
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)OC(=O)C=C
inchi:
InChI=1S/C11H3F17O2/c1-2-3(29)30-11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H,1H2


name: Scopolamine methylbromide
cas: 155-41-9
chemspiderid: 8720
dtxsid: DTXSID2040608
formula: C18H24N1O4
inchikey: LZCOQTDXKCNBEE-JNUAFUKGSA-N
norman_susdat_id: NS00008402
pubchem_cid: 9073
smiles: C[N+]1(C)[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13?,14-,15-,16-,17+/m0/s1


name: Vicianin
cas: 155-57-7
chebiid: CHEBI:166510
chemspiderid: 656493
formula: C19H25NO10
inchikey: YYYCJNDALLBNEG-GNRUMFBNSA-N
norman_susdat_id: NS00094440
pubchem_cid: 570879
smiles:
C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H](C#N)C3=CC=CC=C3)O)O)O)O)O)O


name: 3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl-ß-D-glucopyranoside
cas: 155-58-8
formula: C21H24O9
inchikey: YGNYWGBZKLQLDD-DXKBKAGUSA-N
norman_susdat_id: NS00041885
pubchem_cid: NA
smiles: OC=1C=C(OC2C(O)OC(CO)C(O)C2O)C=C(C=CC3=CC=C(OC)C(O)=C3)C1
inchi:
InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-20-19(26)18(25)17(10-22)30-21(20)27/h2-9,17-27H,10H2,1H3


name: pancuronium
cas: 15500-66-0
chebiid: CHEBI:7907
chemspiderid: 390052
formula: C35H60N2O4
inchikey: GVEAYVLWDAFXET-XGHATYIMSA-N
norman_susdat_id: NS00003523
pubchem_cid: 441289
inchi:
InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

smiles:
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1


name: Retrorsine-N-oxide
cas: 15503-86-3
chebiid: CHEBI:5977
chemspiderid: 4445049
dtxsid: DTXSID4020747
formula: C18H25NO7
inchikey: IDIMIWQPUHURPV-WTWIWYCDSA-N
norman_susdat_id: NS00100976
pubchem_cid: 5281734
smiles: C/C=C1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C
inchi:
InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1


name: Hexasodium [nitrilotris(methylene)]trisphosphonate
cas: 15505-05-2
formula: C3H12NO9P3.6Na
inchikey: NRNLPGTZUDJACV-UHFFFAOYSA-H
norman_susdat_id: NS00085055
smiles: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.6Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6


name: AGN-PC-0JVAVG
cas: 1550-58-3
chemspiderid: 2162146
dtxsid: DTXSID30904002
formula: C21H18N2O
inchikey: DOJJWBNXBPCRIU-UHFFFAOYSA-N
norman_susdat_id: NS00112261
pubchem_cid: 2888036
smiles: CC1=CC=C(C=C1)C1NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1
inchi:
InChI=1S/C21H18N2O/c1-15-11-13-16(14-12-15)20-22-19-10-6-5-9-18(19)21(24)23(20)17-7-3-2-4-8-17/h2-14,20,22H,1H3


name: Dodecyltriphenylphosphonium bromide
cas: 15510-55-1
chebiid: CHEBI:82638
dtxsid: DTXSID90935130
formula: C30H40P
inchikey: NSIFOGPAKNSGNW-UHFFFAOYSA-M
norman_susdat_id: NS00052566
pubchem_cid: 84955
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCCCC
inchi:
InChI=1/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1


name: Rosiglitazone maleate
cas: 155141-29-0
chebiid: CHEBI:8892
dtxsid: DTXSID2023569
formula: C22H23N3O7S
inchikey: SUFUKZSWUHZXAV-BTJKTKAUSA-N
norman_susdat_id: NS00076223
smiles: OC(=O)C=C/C(O)=O.CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1
inchi:
InChI=1/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-


name: Benzenediazonium, 4-(benzoylamino)-2,5-diethoxy-
cas: 15518-68-0
chemspiderid: 14741874
dtxsid: DTXSID8065905
formula: C17H18N3O3
inchikey: DKPBKNZQVUOHRQ-UHFFFAOYSA-O
norman_susdat_id: NS00021020
pubchem_cid: 84962
smiles: F[P-](F)(F)(F)(F)F.CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N
inchi:
InChI=1S/C17H17N3O3/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/p+1


name: Metescufylline
cas: 15518-82-8
formula: C13H21N5O2.C12H10O6
inchikey: UEIODQNTKDNZDV-UHFFFAOYSA-N
norman_susdat_id: NS00085161
smiles: CCN(CC)CCn1cnc2N(C)C(=O)N(C)C(=O)c12.CC3=CC(=O)Oc4cc(O)c(OCC(=O)O)cc34
inchi:
InChI=1/C13H21N5O2.C12H10O6/c1-5-17(6-2)7-8-18-9-14-11-10(18)12(19)16(4)13(20)15(11)3;1-6-2-12(16)18-9-4-8(13)10(3-7(6)9)17-5-11(14)15/h9H,5-8H2,1-4H3;2-4,13H,5H2,1H3,(H,14,15)


name: Myralact
cas: 15518-87-3
formula: C16H35NO.C3H6O3
inchikey: HLFJBIVEMZFFOG-UHFFFAOYSA-N
norman_susdat_id: NS00085057
smiles: CCCCCCCCCCCCCCNCCO.CC(O)C(=O)O
inchi:
InChI=1/C16H35NO.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18;1-2(4)3(5)6/h17-18H,2-16H2,1H3;2,4H,1H3,(H,5,6)


name: Crystal Violet lactone
cas: 1552-42-7
chemspiderid: 66413
dtxsid: DTXSID8024866
formula: C26H29N3O2
inchikey: IPAJDLMMTVZVPP-UHFFFAOYSA-N
norman_susdat_id: NS00021694
pubchem_cid: 73773
smiles: CN(C)c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3


name: Benzoxazole, 5-methyl-2-[4-[2-(5-methyl-2-benzoxazolyl)ethenyl]phenyl]-
cas: 1552-46-1
chemspiderid: 4940950
dtxsid: DTXSID7061770
formula: C24H18N2O2
inchikey: UYEBVQUTQHTYOU-UHFFFAOYSA-N
norman_susdat_id: NS00025041
pubchem_cid: 73774
smiles: Cc1cc2c(oc(/C=C/c3ccc(cc3)c3nc4c(o3)ccc(C)c4)n2)cc1
inchi:
InChI=1S/C24H18N2O2/c1-15-3-10-21-19(13-15)25-23(27-21)12-7-17-5-8-18(9-6-17)24-26-20-14-16(2)4-11-22(20)28-24/h3-14H,1-2H3/b12-7+


name: 5-tert-butyl-2-[4-[2-[5-tert-butylbenzoxazol-2-yl]vinyl]phenyl]benzoxazole
cas: 1552-47-2
dtxsid: DTXSID80883691
formula: C30H30N2O2
inchikey: XHNZHISSLFRVLB-CXUHLZMHSA-N
norman_susdat_id: NS00048348
pubchem_cid: 6436304
smiles: N1=C(OC=2C=CC(=CC12)C(C)(C)C)C=CC=3C=CC(=CC3)C4=NC5=CC(=CC=C5O4)C(C)(C)C
inchi:
InChI=1/C30H30N2O2/c1-29(2,3)21-12-14-25-23(17-21)31-27(33-25)16-9-19-7-10-20(11-8-19)28-32-24-18-22(30(4,5)6)13-15-26(24)34-28/h7-18H,1-6H3


name: Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] ester
cas: 15520-11-3
chemspiderid: 76645
dtxsid: DTXSID8065907
formula: C22H38O6
inchikey: NOBYOEQUFMGXBP-UHFFFAOYSA-N
norman_susdat_id: NS00001610
pubchem_cid: 84964
smiles: CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC1CCC(CC1)C(C)(C)C
inchi:
InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3


name: Bimatoprost
cas: 155206-00-1
chebiid: CHEBI:51230
chemspiderid: 25948410
formula: C25H37N1O4
inchikey: AQOKCDNYWBIDND-FTOWTWDKSA-N
norman_susdat_id: NS00007742
pubchem_cid: 5311027
smiles: CCNC(=O)CCCC=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCc1ccccc1
inchi:
InChI=1S/C25H37NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-24,27-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,23-,24+/m0/s1


name: Ritonavir
cas: 155213-67-5
chemspiderid: 54917
dtxsid: DTXSID1048627
formula: C37H48N6O5S2
inchikey: NCDNCNXCDXHOMX-FDEOAKKQSA-N
norman_susdat_id: NS00000340
pubchem_cid: 60954
inchi:
InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32?,33?/m0/s1

smiles:
CC(C)C(NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](CC(O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CN=CS3)CC4=CC=CC=C4


name: Tetrabutylammonium tetraphenylborate
cas: 15522-59-5
formula: C24H20B.C16H36N
inchikey: ZHCCBGAUZWZGQV-UHFFFAOYSA-N
norman_susdat_id: NS00085059
smiles: CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20B.C16H36N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-20H;5-16H2,1-4H3/q-1;+1


name: Tetramethylammonium tetraphenylborate
cas: 15525-13-0
formula: C24H20B.C4H12N
inchikey: OYLLGGNHXZRMRR-UHFFFAOYSA-N
norman_susdat_id: NS00085897
smiles: C[N+](C)(C)C.c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20B.C4H12N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5(2,3)4/h1-20H;1-4H3/q-1;+1


name: Istradefylline
cas: 155270-99-8
chebiid: CHEBI:134726
dtxsid: DTXSID7057652
formula: C20H24N4O4
inchikey: IQVRBWUUXZMOPW-PKNBQFBNSA-N
norman_susdat_id: NS00069234
pubchem_cid: 5311037
smiles: CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O
inchi:
InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+


cas: 155286-99-0
dtxsid: DTXSID10896754
formula: C26H27F17K5N5O12S
inchikey: PDVMAVDZLRSWDV-UHFFFAOYSA-I
norman_susdat_id: NS00109452
name:
Pentapotassium 6,9,12-tris(carboxylatomethyl)-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl)-3,6,9,12,15-pentaazaheptadecane-1,17-dioate

inchi:
InChI=1S/C26H32F17N5O12S.5K/c27-19(28,21(31,32)23(35,36)25(39,40)41)20(29,30)22(33,34)24(37,38)26(42,43)61(59,60)48(13-18(57)58)8-7-47(12-17(55)56)6-5-46(11-16(53)54)4-3-45(10-15(51)52)2-1-44-9-14(49)50;;;;;/h44H,1-13H2,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58);;;;;/q;5*+1/p-5

smiles:
[K+].[K+].[K+].[K+].[K+].[O-]C(=O)CNCCN(CCN(CCN(CCN(CC([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O)CC([O-])=O)CC([O-])=O


name: Metixene hydrochloride
cas: 1553-34-0
formula: C20H23NS.ClH
inchikey: RSXZRFHNNTTWCB-UHFFFAOYSA-N
norman_susdat_id: NS00083088
smiles: Cl.CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1
inchi:
InChI=1/C20H23NS.ClH/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H


name: S-(hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A
cas: 1553-55-5
dtxsid: DTXSID00935181
formula: C21H32N6O15P2S
inchikey: SBIRHIGLCMFTNB-UHFFFAOYSA-N
norman_susdat_id: NS00048369
pubchem_cid: NA
smiles: O=C(O)CC(O)(C)CC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O
inchi:
InChI=1/C21H32N6O15P2S/c1-21(33,6-13(29)30)7-14(31)45-5-3-23-12(28)2-4-39-44(37,38)40-8-11-17(42-43(34,35)36)16(32)20(41-11)27-10-26-15-18(22)24-9-25-19(15)27/h9-11,16-17,20,32-33H,2-8H2,1H3,(H,23,28)(H,29,30)(H,37,38)(H2,22,24,25)(H2,34,35,36)


name: 1-(3,4-Dihydroxyphenyl)-2-(4-(2-methoxyphenyl)piperazin-1-yl)ethan-1-one
cas: 15532-98-6
chemspiderid: 76651
dtxsid: DTXSID70165877
formula: C19H22N2O4
inchikey: MPHPDMUOEKCXGX-UHFFFAOYSA-N
norman_susdat_id: NS00025043
pubchem_cid: 84972
smiles: COc1c(cccc1)N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1
inchi:
InChI=1S/C19H22N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,22-23H,8-11,13H2,1H3


name: 2-(diethylamino)ethyl 2-phenylbutyrate hydrochloride
cas: 15533-77-4
formula: C16H25NO2.ClH
inchikey: SRIJBBUJJSYXHB-UHFFFAOYSA-N
norman_susdat_id: NS00085185
smiles: Cl.CCC(C(=O)OCCN(CC)CC)c1ccccc1
inchi:
InChI=1/C16H25NO2.ClH/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;/h7-11,15H,4-6,12-13H2,1-3H3;1H


name: Pipratecol
cas: 15534-05-1
formula: C19H24N2O4
inchikey: QESTYTNSJJTQCI-UHFFFAOYSA-N
norman_susdat_id: NS00085926
smiles: COc1ccccc1N2CCN(CC(O)c3ccc(O)c(O)c3)CC2
inchi:
InChI=1/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3


name: 2,2-dioctyl-1,3,2-oxathiastannolan-5-one
cas: 15535-79-2
dtxsid: DTXSID7065910
formula: C18H36O2SSn
inchikey: KEUUHXDTZRYITO-UHFFFAOYSA-L
norman_susdat_id: NS00051395
pubchem_cid: NA
smiles: O=C1O[Sn](SC1)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2/rC18H36O2SSn/c1-3-5-7-9-11-13-15-22(20-18(19)17-21-22)16-14-12-10-8-6-4-2/h3-17H2,1-2H3


name: 4,4'-Diamidinodiphenylamine
cas: 15535-96-3
chemspiderid: 80098
dtxsid: DTXSID60165881
formula: C14H15N5
inchikey: OOSANNOCGQRXSP-UHFFFAOYSA-N
norman_susdat_id: NS00025044
pubchem_cid: 84973
smiles: NC(=N)C1=CC=C(NC2=CC=C(C=C2)C(N)=N)C=C1
inchi:
InChI=1S/C14H15N5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)


name: 17-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroheptadecane
cas: 155401-47-1
dtxsid: DTXSID40895270
formula: C17H22BrF13
inchikey: LDUXQPXCIDUCDA-UHFFFAOYSA-N
norman_susdat_id: NS00110351
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCBr
inchi:
InChI=1S/C17H22BrF13/c18-11-9-7-5-3-1-2-4-6-8-10-12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)31/h1-11H2


name: (+/-)-CP 47,497-C7-Hydroxy metabolite
cas: 1554485-44-7
chemspiderid: 29341872
formula: C21H34O3
inchikey: OVDBRQAUSFGKDW-FUHWJXTLSA-N
norman_susdat_id: NS00017227
pubchem_cid: 95549496
smiles: CC(C)(CCCCCCO)C1=CC(=C(C=C1)C2CCCC(C2)O)O
inchi:
InChI=1S/C21H34O3/c1-21(2,12-5-3-4-6-13-22)17-10-11-19(20(24)15-17)16-8-7-9-18(23)14-16/h10-11,15-16,18,22-24H,3-9,12-14H2,1-2H3/t16-,18+/m0/s1


name: CP 47,497-C8-Homolog C-8-hydroxy metabolite
cas: 1554485-48-1
chemspiderid: 29341873
formula: C22H36O3
inchikey: CGEUPVXPOYJOQH-PKOBYXMFSA-N
norman_susdat_id: NS00017265
pubchem_cid: 95566196
smiles: CC(C)(CCCCCCCO)C1=CC(=C(C=C1)C2CCCC(C2)O)O
inchi:
InChI=1S/C22H36O3/c1-22(2,13-6-4-3-5-7-14-23)18-11-12-20(21(25)16-18)17-9-8-10-19(24)15-17/h11-12,16-17,19,23-25H,3-10,13-15H2,1-2H3/t17-,19+/m0/s1


name: Methyl (Z,Z)-8,8-dibutyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate
cas: 15546-11-9
dtxsid: DTXSID9051747
formula: C18H28O8Sn
inchikey: WNDWDJLPMLWBHW-UDVCPWNYSA-L
norman_susdat_id: NS00051812
pubchem_cid: NA
smiles: O=C(OC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC)(CCCC)CCCC
inchi:
InChI=1/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC18H28O8Sn/c1-5-7-13-27(14-8-6-2,25-17(21)11-9-15(19)23-3)26-18(22)12-10-16(20)24-4/h9-12H,5-8,13-14H2,1-4H3


name: 2-ethylhexyl 6,6-dibutyl-14-ethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate
cas: 15546-12-0
dtxsid: DTXSID4051748
formula: C32H56O8Sn
inchikey: NBZNVCBJBGDRJI-UHFFFAOYSA-L
norman_susdat_id: NS00051813
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC(CC)CCCC)(CCCC)CCCC
inchi:
InChI=1/2C12H20O4.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-7-13-17-27(11-5)25-37-29(33)19-21-31(35)39-41(23-15-9-3,24-16-10-4)40-32(36)22-20-30(34)38-26-28(12-6)18-14-8-2/h19-22,27-28H,7-18,23-26H2,1-6H3


name: Butyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate
cas: 15546-16-4
dtxsid: DTXSID9051749
formula: C24H40O8Sn
inchikey: OZDOQMMXEACZAA-NRFIWDAESA-L
norman_susdat_id: NS00051814
pubchem_cid: NA
smiles: O=C(OCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCC)(CCCC)CCCC
inchi:
InChI=1/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H40O8Sn/c1-5-9-17-29-21(25)13-15-23(27)31-33(19-11-7-3,20-12-8-4)32-24(28)16-14-22(26)30-18-10-6-2/h13-16H,5-12,17-20H2,1-4H3


name: Tetramethylenebis[triphenylphosphonium] dibromide
cas: 15546-42-6
dtxsid: DTXSID10935218
formula: C40H38P2
inchikey: WTFXVDWCEPLDDY-UHFFFAOYSA-L
norman_susdat_id: NS00052607
pubchem_cid: 3084237
inchi:
InChI=1/C40H38P2.2BrH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,19-20,33-34H2;2*1H/q+2;;/p-2

smiles:
[Br-].[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCC[P+](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6


name: N,N,N',N'-tetraphenyl[1,1'-biphenyl]-4,4'-diamine
cas: 15546-43-7
dtxsid: DTXSID2065913
formula: C36H28N2
inchikey: DCZNSJVFOQPSRV-UHFFFAOYSA-N
norman_susdat_id: NS00051398
pubchem_cid: 84981
smiles: C=1C=CC(=CC1)N(C=2C=CC=CC2)C3=CC=C(C=C3)C=4C=CC(=CC4)N(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C36H28N2/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)35-25-21-29(22-26-35)30-23-27-36(28-24-30)38(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H


name: 2-amino-6-{[(3S)-1-(3-methylbutanoyl)piperidin-3-yl]methoxy}benzonitrile
cas: 1554631-80-9
chemspiderid: NA
formula: C18H25N3O2
inchikey: JVZOLSUGEDPVRW-UHFFFAOYSA-N
norman_susdat_id: NS00004855
pubchem_cid: 90038922
smiles: CC(C)CC(=O)N1CCCC(COc2cccc(N)c2C#N)C1
inchi:
InChI=1S/C18H25N3O2/c1-13(2)9-18(22)21-8-4-5-14(11-21)12-23-17-7-3-6-16(20)15(17)10-19/h3,6-7,13-14H,4-5,8-9,11-12,20H2,1-2H3


name: JWH 015
cas: 155471-08-2
chebiid: CHEBI:92318
chemspiderid: 3480676
dtxsid: DTXSID60165902
formula: C23H21N1O1
inchikey: LJSBBBWQTLXQEN-UHFFFAOYSA-N
norman_susdat_id: NS00009022
pubchem_cid: 4273754
smiles: CCCn1c(C)c(C(=O)c2cccc3ccccc23)c2ccccc12
inchi:
InChI=1S/C23H21NO/c1-3-15-24-16(2)22(20-12-6-7-14-21(20)24)23(25)19-13-8-10-17-9-4-5-11-18(17)19/h4-14H,3,15H2,1-2H3


name: JWH 016
cas: 155471-09-3
chemspiderid: 23224428
formula: C24H23N1O1
inchikey: QKXRHYJSCZFHEK-UHFFFAOYSA-N
norman_susdat_id: NS00017614
pubchem_cid: 44368310
smiles: CCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
inchi:
InChI=1S/C24H23NO/c1-3-4-16-25-17(2)23(21-13-7-8-15-22(21)25)24(26)20-14-9-11-18-10-5-6-12-19(18)20/h5-15H,3-4,16H2,1-2H3


name: JWH-007
cas: 155471-10-6
chemspiderid: 8536309
dtxsid: DTXSID20165903
formula: C25H25N1O1
inchikey: IBBNKINXTRKICJ-UHFFFAOYSA-N
norman_susdat_id: NS00017275
pubchem_cid: 10360860
smiles: CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
inchi:
InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3


name: JWH 011
cas: 155471-13-9
chemspiderid: 23224565
dtxsid: DTXSID601016347
formula: C27H29N1O1
inchikey: HVIWIQFCDXFBDK-UHFFFAOYSA-N
norman_susdat_id: NS00017957
pubchem_cid: 44368442
smiles: CCCCCC(C)N1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)C
inchi:
InChI=1S/C27H29NO/c1-4-5-6-12-19(2)28-20(3)26(24-16-9-10-18-25(24)28)27(29)23-17-11-14-21-13-7-8-15-22(21)23/h7-11,13-19H,4-6,12H2,1-3H3


name: 5-bromo-4-chloroindol-3-yl-ß-D-glucopyranoside
cas: 15548-60-4
formula: C14H15BrClNO6
inchikey: VFKCDXJDSDJFQU-LNNRFACYSA-N
norman_susdat_id: NS00084787
smiles: OC[C@H]1O[C@@H]([O-])[C@H](Oc2c[nH]c3ccc(Br)c(Cl)c23)[C@@H](O)[C@@H]1O
inchi:
InChI=1/C14H14BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-13-12(20)11(19)8(4-18)23-14(13)21/h1-3,8,11-14,17-20H,4H2/q-1


name: 6-Bromo-2-naphthyl beta-D-glucopyranoside
cas: 15548-61-5
chebiid: CHEBI:90257
chemspiderid: 76662
dtxsid: DTXSID40165905
formula: C16H17Br1O6
inchikey: NLRXQZJJCPRATR-IBEHDNSVSA-N
norman_susdat_id: NS00025048
pubchem_cid: 84983
smiles: OC[C@H]1O[C@@H](Oc2cc3c(cc2)cc(Br)cc3)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2/t12-,13-,14+,15-,16-/m1/s1


name: Sograzepide
cas: 155488-25-8
dtxsid: DTXSID00165906
formula: C28H30N6O3
inchikey: YDZYKNJZCVIKPP-VWLOTQADSA-N
norman_susdat_id: NS00069253
pubchem_cid: 9870520
smiles: CNc1cccc(NC(=O)N[C@@H]2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
inchi:
InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1


name: magnesium dioleate
cas: 1555-53-9
dtxsid: DTXSID7061772
formula: C36H66MgO4
inchikey: TYYXXEAZZVHRDF-UHFFFAOYSA-L
norman_susdat_id: NS00113705
smiles: [Mg++].CCCCCCCCC=CCCCCCCCC([O-])=O.CCCCCCCCC=CCCCCCCCC([O-])=O
inchi:
InChI=1S/2C18H34O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Diammonium yttrium pentanitrate
cas: 15552-06-4
formula: H3N.5/2HNO3.1/2Y
inchi: InChI=1/5NO3.2H3N.Y/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2
inchikey: DLSSAQRDVLQQMZ-UHFFFAOYSA-P
norman_susdat_id: NS00084788
smiles:
[NH4+].[NH4+].[Y+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: 3-chloro-4-(diethylamino)benzenediazonium trichlorozincate
cas: 15557-00-3
formula: C10H13ClN3.Cl3Zn
inchikey: AGBQXXKKTAAFSL-UHFFFAOYSA-K
norman_susdat_id: NS00085929
smiles: CCN(CC)c1ccc(cc1Cl)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C10H13ClN3.3ClH.Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;;;;/h5-7H,3-4H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC10H13ClN3.Cl3Zn/c1-3-14(4-2)10-6-5-8(13-12)7-9(10)11;1-4(2)3/h5-7H,3-4H2,1-2H3;/q+1;-1


name: 3-(2-methylaminoethyl)indol-5-ol oxalate
cas: 15558-50-6
formula: C11H14N2O
inchikey: DYOZWAJOUTVNAF-UHFFFAOYSA-N
norman_susdat_id: NS00051885
pubchem_cid: 260390
smiles: O=C(O)C(=O)O.OC=1C=CC=2NC=C(C2C1)CCNC
inchi:
InChI=1/C11H14N2O.C2H2O4/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11;3-1(4)2(5)6/h2-3,6-7,12-14H,4-5H2,1H3;(H,3,4)(H,5,6)


name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl nicotinate
cas: 1556-70-3
chemspiderid: 4576682
dtxsid: DTXSID30165919
formula: C21H13N1O8
inchikey: BZIXWQIWHDSDHR-UHFFFAOYSA-N
norman_susdat_id: NS00025055
pubchem_cid: 5464503
smiles: Oc1cc2c(c(O)c1)c(=O)c(OC(=O)c1cnccc1)c(o2)c1cc(O)c(O)cc1
inchi:
InChI=1S/C21H13NO8/c23-12-7-15(26)17-16(8-12)29-19(10-3-4-13(24)14(25)6-10)20(18(17)27)30-21(28)11-2-1-5-22-9-11/h1-9,23-26H


name: Drometrizole trisiloxane
cas: 155633-54-8
dtxsid: DTXSID40431753
formula: C24H39N3O3Si3
inchikey: HUVYTMDMDZRHBN-IBGZPJMESA-N
norman_susdat_id: NS00073564
smiles: Cc1cc(C[C@H](C)C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c(O)c(-n2nc3ccccc3n2)c1
inchi:
InChI=1S/C24H39N3O3Si3/c1-18-14-20(15-19(2)17-33(9,29-31(3,4)5)30-32(6,7)8)24(28)23(16-18)27-25-21-12-10-11-13-22(21)26-27/h10-14,16,19,28H,15,17H2,1-9H3/t19-/m0/s1


name: (Z)-N-[2-[(2-aminoethyl)amino]ethyl]-9-octadecenamide
cas: 15566-80-0
dtxsid: DTXSID40884523
formula: C22H45N3O
inchikey: FUJIFZPMNJHIDG-KTKRTIGZSA-N
norman_susdat_id: NS00052630
pubchem_cid: 6436424
smiles: O=C(NCCNCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H45N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23/h9-10,24H,2-8,11-21,23H2,1H3,(H,25,26)


cas: 155661-07-7
inchikey: VOEZOGZQSVLIRN-WKRKBMNRSA-N
norman_susdat_id: NS00078588
smiles: Cl.CS(=O)(=O)OCC1O[C@@](OC1)(CN1N=CN=C1)C1=C(C=C(C=C1)Cl)Cl
name:
[(2R)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate hydrochloride


name: (2-ethylhexyl)ammonium ditridecyl phosphate
cas: 15567-28-9
formula: C26H55O4P.C8H19N
inchikey: ABNVXNXVSXFNOI-UHFFFAOYSA-N
norman_susdat_id: NS00084789
smiles: CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.CCCCC(CC)C[NH3+]
inchi:
InChI=1/C26H55O4P.C8H19N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-6-8(4-2)7-9/h3-26H2,1-2H3,(H,27,28);8H,3-7,9H2,1-2H3


name: 1,2,3,4-Tetraphenylcyclopenta-1,3-diene
cas: 15570-45-3
chemspiderid: 76668
dtxsid: DTXSID90165955
formula: C29H22
inchikey: JCXLYAWYOTYWKM-UHFFFAOYSA-N
norman_susdat_id: NS00025059
pubchem_cid: 84991
smiles: C1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C29H22/c1-5-13-22(14-6-1)26-21-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)28(26)24-17-9-3-10-18-24/h1-20H,21H2


name: 2-ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
cas: 15571-58-1
dtxsid: DTXSID8029735
formula: C36H72O4S2Sn
inchikey: VXGIVDFKZKMKQO-UHFFFAOYSA-L
norman_susdat_id: NS00051487
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C10H20O2S.2C8H17.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-7-13-17-19-21-23-27-43(28-24-22-20-18-14-8-2,41-31-35(37)39-29-33(11-5)25-15-9-3)42-32-36(38)40-30-34(12-6)26-16-10-4/h33-34H,7-32H2,1-6H3


cas: 15571-59-2
formula: C32H56O8Sn
inchikey: LHLONJLCNOUWLO-VGKOASNMSA-L
norman_susdat_id: NS00051027
pubchem_cid: 53436701
smiles: O=C(OCC(C)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC(C)C)(CCCCCCCC)CCCCCCCC
name:
Isobutyl (Z,Z)-2-methyl-10,10-dioctyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate

inchi:
InChI=1/2C8H12O4.2C8H17.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-5-7-8-6-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H56O8Sn/c1-7-9-11-13-15-17-23-41(24-18-16-14-12-10-8-2,39-31(35)21-19-29(33)37-25-27(3)4)40-32(36)22-20-30(34)38-26-28(5)6/h19-22,27-28H,7-18,23-26H2,1-6H3


name: 4,4-[(dioctylstannylene)bis(oxy)]bis[4-oxoisocrotonic]acid
cas: 15571-60-5
dtxsid: DTXSID6044220
formula: C24H40O8Sn
inchikey: WNEDOMBPJDUQPS-BFIADXHOSA-L
norman_susdat_id: NS00112953
smiles: CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=C/C(O)=O)OC(=O)C=C/C(O)=O
inchi:
InChI=1S/2C8H17.2C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;2*5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;2*1-2H,(H,5,6)(H,7,8);/q;;;;+2/p-2/b;;2*2-1-;


name: 6-bromo-2-naphthyl ß-D-galactopyranoside
cas: 15572-30-2
chebiid: CHEBI:90137
formula: C16H17BrO6
inchikey: NLRXQZJJCPRATR-LYYZXLFJSA-N
norman_susdat_id: NS00085500
smiles: OC[C@H]1O[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1/C16H17BrO6/c17-10-3-1-9-6-11(4-2-8(9)5-10)22-16-15(21)14(20)13(19)12(7-18)23-16/h1-6,12-16,18-21H,7H2


name: Pizotyline
cas: 15574-96-6
chebiid: CHEBI:50212
chemspiderid: 25497
dtxsid: DTXSID6023490
formula: C19H21N1S1
inchikey: FIADGNVRKBPQEU-UHFFFAOYSA-N
norman_susdat_id: NS00007697
pubchem_cid: 27400
smiles: CN1CCC(CC1)=C1c2ccsc2CCc2ccccc12
inchi:
InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3


name: Biphenylalanine
cas: 155760-02-4
dtxsid: DTXSID10375933
formula: C15H15NO2
inchikey: JCZLABDVDPYLRZ-AWEZNQCLSA-N
norman_susdat_id: NS00068999
pubchem_cid: 2761815
smiles: N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O
inchi:
InChI=1S/C15H15NO2/c16-14(15(17)18)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9,14H,10,16H2,(H,17,18)/t14-/m0/s1


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Hexadecafluoro-9-(trifluoromethyl)decyl acrylate
cas: 15577-26-1
chemspiderid: 76671
dtxsid: DTXSID00880223
formula: C14H7F19O2
inchikey: QGIJZPXLSMRDCW-UHFFFAOYSA-N
norman_susdat_id: NS00010994
pubchem_cid: 84997
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(C=C)=O
inchi:
InChI=1S/C14H7F19O2/c1-2-5(34)35-4-3-6(15,16)8(18,19)10(22,23)12(26,27)11(24,25)9(20,21)7(17,13(28,29)30)14(31,32)33/h2H,1,3-4H2


name: Lurtotecan
cas: 155773-58-3
dtxsid: DTXSID30164422
formula: C28H30N4O6
inchikey: RVFGKBWWUQOIOU-NDEPHWFRSA-N
norman_susdat_id: NS00071655
pubchem_cid: 60956
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCCO3
inchi:
InChI=1S/C28H30N4O6/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23/h10-12,35H,3-9,13-15H2,1-2H3/t28-/m0/s1


name: Trithorium tetrakis(phosphate)
cas: 15578-50-4
formula: H3O4P.3/4Th
inchi: InChI=1/4H3O4P.3Th/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12
inchikey: XVLNQEYWQCJFRI-UHFFFAOYSA-B
norman_susdat_id: NS00084535
smiles:
[Th+2].[Th+2].[Th+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


name: Trititanium tetrakis(phosphate)
cas: 15578-51-5
formula: H3O4P.3/4Ti
inchi: InChI=1/4H3O4P.3Ti/c4*1-5(2,3)4;;;/h4*(H3,1,2,3,4);;;/q;;;;3*+2/p-12
inchikey: QWUXJJUTOXZCLB-UHFFFAOYSA-B
norman_susdat_id: NS00084859
smiles:
[Ti+2].[Ti+2].[Ti+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


name: Ioflupane
cas: 155797-99-2
dtxsid: DTXSID70870035
formula: C18H23FINO2
inchikey: HXWLAJVUJSVENX-HZMVEIRTSA-N
norman_susdat_id: NS00069688
pubchem_cid: 10048368
smiles: COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF
inchi:
InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1


name: Diethyl (2-(phenylthio)ethyl)malonate
cas: 1558-97-0
chemspiderid: 66426
dtxsid: DTXSID10165972
formula: C15H20O4S1
inchikey: XNJMBDCTYAVRKZ-UHFFFAOYSA-N
norman_susdat_id: NS00025064
pubchem_cid: 73789
smiles: CCOC(=O)C(CCSc1ccccc1)C(=O)OCC
inchi:
InChI=1S/C15H20O4S/c1-3-18-14(16)13(15(17)19-4-2)10-11-20-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3


name: Zebularine
cas: 155831-90-6
chebiid: CHEBI:46938
chemspiderid: 90372
formula: C9H12N2O5
inchikey: RPQZTTQVRYEKCR-WCTZXXKLSA-N
norman_susdat_id: NS00011709
pubchem_cid: 100016
smiles: c1cnc(=O)n(c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
inchi:
InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1


name: Bibenzonium bromide
cas: 15585-70-3
dtxsid: DTXSID80875177
formula: C19H26NO
inchikey: APVMLVNTOWQOHL-UHFFFAOYSA-M
norman_susdat_id: NS00052298
pubchem_cid: 85001
smiles: [Br-].O(CC[N+](C)(C)C)C(C=1C=CC=CC1)CC=2C=CC=CC2
inchi:
InChI=1/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1


name: Terallethrin
cas: 15589-31-8
chemspiderid: 25506
dtxsid: DTXSID8057984
formula: C17H24O3
inchikey: MIZYPRIEDMSCAC-UHFFFAOYNA-N
norman_susdat_id: NS00021696
pubchem_cid: NA
smiles: CC1=C(CC=C)C(=O)CC1OC(=O)C1C(C)(C)C1(C)C
inchi:
InChI=1S/C17H24O3/c1-7-8-11-10(2)13(9-12(11)18)20-15(19)14-16(3,4)17(14,5)6/h7,13-14H,1,8-9H2,2-6H3/t13-/m1/s1


name: N,N'-Dimethyl-N,N'-bis(tetracycline)ethylenediamine
cas: 15590-00-8
chemspiderid: 16736612
formula: C50H60N6O16
inchikey: BZUKDLNEDCDORL-ULRSWZSCSA-N
norman_susdat_id: NS00011913
pubchem_cid: NA
inchi:
InChI=1S/C50H60N6O16/c1-47(69)21-11-9-13-27(57)29(21)37(59)31-23(47)17-25-35(53(3)4)39(61)33(43(65)49(25,71)41(31)63)45(67)51-19-55(7)15-16-56(8)20-52-46(68)34-40(62)36(54(5)6)26-18-24-32(42(64)50(26,72)44(34)66)38(60)30-22(48(24,2)70)12-10-14-28(30)58/h9-14,23-26,35-36,57-58,61-64,69-72H,15-20H2,1-8H3,(H,51,67)(H,52,68)/t23-,24-,25-,26-,35-,36-,47+,48+,49-,50-/m0/s1

smiles:
C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)NCN(C)CCN(C)CNC(=O)C5=C([C@H]([C@@H]6C[C@H]7C(=C([C@@]6(C5=O)O)O)C(=O)c8c(cccc8O)[C@@]7(C)O)N(C)C)O)O)N(C)C)O)O)O)O


name: 2-Ethyl-2-(((1-oxohexadecyl)oxy)methyl)propane-1,3-diyl bispalmitate
cas: 15590-11-1
chemspiderid: 76683
dtxsid: DTXSID20165988
formula: C54H104O6
inchikey: SNVRYGMDRIKHED-UHFFFAOYSA-N
norman_susdat_id: NS00025065
pubchem_cid: 85009
smiles: CCCCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C54H104O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-51(55)58-48-54(8-4,49-59-52(56)46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)50-60-53(57)47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-50H2,1-4H3


name: ß-d-Glucopyranose, 1-thio-, 1-[N-(sulfooxy)ethanimidate], monopotassium salt
cas: 15592-33-3
formula: C8H15NO9S2
inchikey: UBTOEGCOMHAXGV-UHFFFAOYSA-N
norman_susdat_id: NS00051071
pubchem_cid: 437035
smiles: O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)C
inchi:
InChI=1/C8H15NO9S2/c1-3(9-18-20(14,15)16)19-8-7(13)6(12)5(11)4(2-10)17-8/h4-8,10-13H,2H2,1H3,(H,14,15,16)


name: D-mannitol hexanicotinate
cas: 15596-27-7
formula: C42H32N6O12
inchikey: IMRLNFKFNFLWQF-MGXDLYCJSA-N
norman_susdat_id: NS00051073
pubchem_cid: 5746397
inchi:
InChI=1/C42H32N6O12/c49-37(27-7-1-13-43-19-27)55-25-33(57-39(51)29-9-3-15-45-21-29)35(59-41(53)31-11-5-17-47-23-31)36(60-42(54)32-12-6-18-48-24-32)34(58-40(52)30-10-4-16-46-22-30)26-56-38(50)28-8-2-14-44-20-28/h1-24,33-36H,25-26H2

smiles:
O=C(OCC(OC(=O)C=1C=NC=CC1)C(OC(=O)C=2C=NC=CC2)C(OC(=O)C=3C=NC=CC3)C(OC(=O)C=4C=NC=CC4)COC(=O)C=5C=NC=CC5)C=6C=NC=CC6


name: Ivabradine
cas: 155974-00-8
chebiid: CHEBI:85966
chemspiderid: 117373
dtxsid: DTXSID2048240
formula: C27H36N2O5
inchikey: ACRHBAYQBXXRTO-OAQYLSRUSA-N
norman_susdat_id: NS00001500
pubchem_cid: 132999
smiles: COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC
inchi:
InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1


name: SR271425
cas: 155990-20-8
chemspiderid: 8085329
dtxsid: DTXSID8047347
formula: C22H27N3O3S1
inchikey: GWLFIMOOGVXSMZ-UHFFFAOYSA-N
norman_susdat_id: NS00015608
pubchem_cid: 9909677
smiles: CCN(CC)CCNC1=C2C(=C(C=C1)CNC=O)SC3=C(C2=O)C=C(C=C3)OC
inchi:
InChI=1S/C22H27N3O3S/c1-4-25(5-2)11-10-24-18-8-6-15(13-23-14-26)22-20(18)21(27)17-12-16(28-3)7-9-19(17)29-22/h6-9,12,14,24H,4-5,10-11,13H2,1-3H3,(H,23,26)


name: Benzphetamine
cas: 156-08-1
chebiid: CHEBI:3044
chemspiderid: 4470556
dtxsid: DTXSID4022656
formula: C17H21N1
inchikey: YXKTVDFXDRQTKV-HNNXBMFYSA-N
norman_susdat_id: NS00007945
pubchem_cid: 5311017
smiles: C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
inchi:
InChI=1S/C17H21N/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3/t15-/m0/s1


name: Allyltriphenylphosphonium bromide
cas: 1560-54-9
dtxsid: DTXSID90935337
formula: C21H20P
inchikey: FWYKRJUVEOBFGH-UHFFFAOYSA-M
norman_susdat_id: NS00048437
pubchem_cid: 197740
smiles: [Br-].C=CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H20P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1


name: Esculentoside S
cas: 156031-83-3
chemspiderid: 44448111
formula: C42H66O16
inchikey: XPZGXZBKRPZWMJ-IUYHOEDPSA-N
norman_susdat_id: NS00093715
pubchem_cid: 23314366
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)OC


name: spiroxaminsÃ¤ure
cas: 156042-38-5
chemspiderid: NA
formula: C18H33N1O4
inchikey: VMUODEDOHPQLOD-UHFFFAOYSA-N
norman_susdat_id: NS00003014
pubchem_cid: NA
smiles: CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C(O)=O)O1
inchi:
InChI=1S/C18H33NO4/c1-5-11-19(6-2)12-15-13-22-18(23-15)9-7-14(8-10-18)17(3,4)16(20)21/h14-15H,5-13H2,1-4H3,(H,20,21)


name: Zoxamide
cas: 156052-68-5
chebiid: CHEBI:82853
chemspiderid: 108892
dtxsid: DTXSID9032581
formula: C14H16Cl3N1O2
inchikey: SOUGWDPPRBKJEX-UHFFFAOYSA-N
norman_susdat_id: NS00007053
pubchem_cid: 122087
smiles: CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl
inchi:
InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)


name: Alvimopan
cas: 156053-89-3
chebiid: CHEBI:135686
dtxsid: DTXSID60166035
formula: C25H32N2O4
inchikey: UPNUIXSCZBYVBB-JVFUWBCBSA-N
norman_susdat_id: NS00069226
smiles: C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
inchi:
InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1


cas: 156065-00-8
norman_susdat_id: NS00112954
name:
α-​dimethyl-​3-​(4'-​hydroxy-​3'-​methoxyphenyl)propylsilyloxy, ω-​3-​dimethyl-​3-​(4'-​hydroxy-​3'-​methoxyphenyl)propylsilyl polydimethylsiloxane


name: Disulfide, dihexadecyl
cas: 1561-75-7
chemspiderid: 66435
dtxsid: DTXSID6061783
formula: C32H66S2
inchikey: GUBWMRCVCQFLOJ-UHFFFAOYSA-N
norman_susdat_id: NS00025071
pubchem_cid: 73798
smiles: CCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Rapacuronium
cas: 156137-99-4
chebiid: CHEBI:135845
dtxsid: DTXSID80861419
formula: C37H61N2O4
inchikey: HTIKWNNIPGXLGM-YLINKJIISA-N
norman_susdat_id: NS00069634
pubchem_cid: 5311399
inchi:
InChI=1S/C37H61N2O4/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2/h6,27-33,35H,1,7-25H2,2-5H3/q+1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-/m0/s1

smiles:
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1


name: [2-(3,6-dihydro-4-methyl-1(2H)-pyridyl)ethyl]guanidinium sulphate
cas: 1562-71-6
dtxsid: DTXSID00935388
formula: C9H18N4
inchikey: LLDVQNBDOLRHBJ-UHFFFAOYSA-N
norman_susdat_id: NS00049014
pubchem_cid: 23624058
smiles: O=S(=O)([O-])[O-].N=C(N)[NH2+]CCN1CC=C(C)CC1.N=C(N)[NH2+]CCN1CC=C(C)CC1
inchi:
InChI=1/2C9H18N4.H2O4S/c2*1-8-2-5-13(6-3-8)7-4-12-9(10)11;1-5(2,3)4/h2*2H,3-7H2,1H3,(H4,10,11,12);(H2,1,2,3,4)


name: 1-carboxy-7-(dimethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride
cas: 1562-85-2
dtxsid: DTXSID60935389
formula: C15H13N2O5
inchikey: XDYRJZQEGXNVIT-UHFFFAOYSA-M
norman_susdat_id: NS00047665
pubchem_cid: NA
smiles: [Cl-].O=C(O)C1=CC(O)=C(O)C2=[O+]C=3C=C(C=CC3N=C21)N(C)C
inchi:
InChI=1/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6H,1-2H3,(H2-,16,18,19,20,21);1H


name: 1-carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride
cas: 1562-90-9
dtxsid: DTXSID70935390
formula: C17H18N3O4
inchikey: CYOGQUOMCGPSCA-UHFFFAOYSA-M
norman_susdat_id: NS00048438
pubchem_cid: NA
smiles: [Cl-].O=C(N)C1=CC(O)=C(O)C2=[O+]C=3C=C(C=CC3N=C21)N(CC)CC
inchi:
InChI=1/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23);1H


name: 4-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]pyrocatechol dihydrochloride
cas: 15622-04-5
dtxsid: DTXSID20935401
formula: C19H24N2O4
inchikey: PZQYPHRFNJMIQO-UHFFFAOYSA-N
norman_susdat_id: NS00051524
pubchem_cid: 71684
smiles: Cl.Cl.OC1=CC=C(C=C1O)C(O)CN2CCN(C=3C=CC=CC3OC)CC2
inchi:
InChI=1/C19H24N2O4.2ClH/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14;;/h2-7,12,18,22-24H,8-11,13H2,1H3;2*1H


name: 1H,1H-Perfluoro-1-tetradecanol
cas: 15622-57-8
dtxsid: DTXSID90380025
formula: C14H3F27O
inchikey: WYCXYEWKMLSDBQ-UHFFFAOYSA-N
norman_susdat_id: NS00111912
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)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h42H,1H2


cas: 15623-66-2
formula: C32H23ClN8O14S4
inchikey: PVHAXFGGALNEOZ-UHFFFAOYSA-N
norman_susdat_id: NS00051125
pubchem_cid: NA
name:
5-(benzoylamino)-3-[[4-[[4-chloro-6-[(4-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C32H23ClN8O14S4/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-22(24(14-19)58(50,51)52)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16/h1-15,42H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39)

smiles:
O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3S(=O)(=O)O)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)S(=O)(=O)O)C(O)=C21)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC6


name: Larotaxel
cas: 156294-36-9
dtxsid: DTXSID60935420
formula: C45H53NO14
inchikey: DXOJIXGRFSHVKA-BZVZGCBYSA-N
norman_susdat_id: NS00073085
pubchem_cid: 6918260
inchi:
InChI=1S/C45H53NO14/c1-23-29(57-39(52)33(49)32(26-15-11-9-12-16-26)46-40(53)60-41(4,5)6)21-45(54)37(58-38(51)27-17-13-10-14-18-27)35-43(36(50)34(56-24(2)47)31(23)42(45,7)8)20-28(43)19-30-44(35,22-55-30)59-25(3)48/h9-18,28-30,32-35,37,49,54H,19-22H2,1-8H3,(H,46,53)/t28-,29+,30-,32+,33-,34-,35+,37+,43-,44+,45-/m1/s1

smiles:
CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C


cas: 15630-64-5
dtxsid: DTXSID40935423
formula: C27H45N9O12
inchikey: ZFDAUYPBCXMSBF-UHFFFAOYSA-N
norman_susdat_id: NS00097508
smiles: CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O
name:
Cyclo(glycyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithyl-N~5~-acetyl-N~5~-hydroxyornithylglycylglycyl)

inchi:
InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44)


name: 4-[(2-hydroxyethyl)methylamino]benzenediazonium trichlorozincate
cas: 15631-71-7
formula: C9H12N3O.Cl3Zn
inchikey: PEWISOHEOXKHCY-UHFFFAOYSA-K
norman_susdat_id: NS00084847
smiles: CN(CCO)c1ccc(cc1)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C9H12N3O.3ClH.Zn/c1-12(6-7-13)9-4-2-8(11-10)3-5-9;;;;/h2-5,13H,6-7H2,1H3;3*1H;/q+1;;;;+2/p-3/rC9H12N3O.Cl3Zn/c1-12(6-7-13)9-4-2-8(11-10)3-5-9;1-4(2)3/h2-5,13H,6-7H2,1H3;/q+1;-1


cas: 156316-85-7
formula: C28H44O3
inchikey: ODZFJAXAEXQSKL-WRJREGAQSA-N
norman_susdat_id: NS00069923
pubchem_cid: 9547261
smiles: C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@](C)(O)C(C)C)C[C@@H](O)C[C@@H]1O
name:
5-{2-[1-(5-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyl-octahydro-1h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

inchi:
InChI=1S/C28H44O3/c1-18(2)28(6,31)15-13-19(3)24-11-12-25-21(8-7-14-27(24,25)5)9-10-22-16-23(29)17-26(30)20(22)4/h9-10,13,15,18-19,23-26,29-31H,4,7-8,11-12,14,16-17H2,1-3,5-6H3/b15-13+,21-9+,22-10-/t19-,23-,24-,25+,26+,27-,28-/m1/s1


name: Dichlorobis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
cas: 156323-66-9
dtxsid: DTXSID60700296
formula: C12H8Cl2F18Si
inchikey: MIZYXWOLOKZZFU-UHFFFAOYSA-N
norman_susdat_id: NS00110908
smiles: FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)[Si](Cl)(Cl)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
inchi:
InChI=1S/C12H8Cl2F18Si/c13-33(14,11(29,30)9(25,26)5(15,16)1-3-7(19,20)21)12(31,32)10(27,28)6(17,18)2-4-8(22,23)24/h1-4H2


name: 4-[3-(4-Chlorophenyl)-1h-Pyrazol-5-Yl]piperidine
cas: 156336-70-8
formula: C14H16ClN3
inchikey: GELALLNTKKLQLM-UHFFFAOYSA-N
norman_susdat_id: NS00070140
pubchem_cid: 449126
smiles: Clc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1
inchi:
InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)13-9-14(18-17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)


name: 2-nitrobenzenediazonium tetrachlorozincate (2:1)
cas: 15636-56-3
formula: C6H4N3O2.1/2Cl4Zn
inchikey: JWZASEJUHNDVSQ-UHFFFAOYSA-J
norman_susdat_id: NS00084848
smiles: [O-][N+](=O)c1ccccc1[N+]#N.[O-][N+](=O)c2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C6H4N3O2.4ClH.Zn/c2*7-8-5-3-1-2-4-6(5)9(10)11;;;;;/h2*1-4H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H4N3O2.Cl4Zn/c2*7-8-5-3-1-2-4-6(5)9(10)11;1-5(2,3)4/h2*1-4H;/q2*+1;-2


name: ethyl 3-oxo-4-(2-(tritylamino)ethoxy)butanoate
cas: 156366-26-6
chemspiderid: 9434020
formula: C27H29N1O4
inchikey: QPDGJJOCZFBVLM-UHFFFAOYSA-N
norman_susdat_id: NS00004115
pubchem_cid: 11258994
smiles: CCOC(=O)CC(=O)COCCNC(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C27H29NO4/c1-2-32-26(30)20-25(29)21-31-19-18-28-27(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,28H,2,18-21H2,1H3


name: 1-amino-2-bromo-4-o-toluidinoanthraquinone
cas: 1564-70-1
dtxsid: DTXSID50935434
formula: C21H15BrN2O2
inchikey: TVSTYTRBNPXKHV-UHFFFAOYSA-N
norman_susdat_id: NS00047668
pubchem_cid: 74063
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC(Br)=C(N)C13)NC=4C=CC=CC4C
inchi:
InChI=1/C21H15BrN2O2/c1-11-6-2-5-9-15(11)24-16-10-14(22)19(23)18-17(16)20(25)12-7-3-4-8-13(12)21(18)26/h2-10,24H,23H2,1H3


name: 9,10-Anthracenedione, 1-amino-2-bromo-4-(phenylamino)-
cas: 1564-71-2
chemspiderid: 66682
dtxsid: DTXSID6061787
formula: C20H13Br1N2O2
inchikey: BMIJUARACLJZMP-UHFFFAOYSA-N
norman_susdat_id: NS00025082
pubchem_cid: 74064
smiles: Nc1c(Br)cc(Nc2ccccc2)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H13BrN2O2/c21-14-10-15(23-11-6-2-1-3-7-11)16-17(18(14)22)20(25)13-9-5-4-8-12(13)19(16)24/h1-10,23H,22H2


cas: 1564254-27-8
dtxsid: DTXSID30883000
norman_susdat_id: NS00109982
name:
Ethene, 1,1,2,2-tetrafluoro-, oxidized, polymd., reduced, Me esters, reduced, N-(3-isocyanatomethylphenyl)carbamates


name: 2-Ethylhexyl diphenyl phosphite
cas: 15647-08-2
chemspiderid: 77475
dtxsid: DTXSID8051752
formula: C20H27O3P1
inchikey: XKZGIJICHCVXFV-UHFFFAOYSA-N
norman_susdat_id: NS00001708
pubchem_cid: 85888
smiles: CCCCC(CC)COP(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C20H27O3P/c1-3-5-12-18(4-2)17-21-24(22-19-13-8-6-9-14-19)23-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3


name: Bisphenol A glycidyl methacrylate
cas: 1565-94-2
chebiid: CHEBI:34580
chemspiderid: 14549
dtxsid: DTXSID7044841
formula: C29H36O8
inchikey: AMFGWXWBFGVCKG-UHFFFAOYNA-N
norman_susdat_id: NS00019510
pubchem_cid: NA
smiles: CC(=C)C(=O)OCC(O)COc1ccc(cc1)C(C)(C)c1ccc(OCC(O)COC(=O)C(=C)C)cc1
inchi:
InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3/t23-,24+


name: Diammonium neodymium pentanitrate
cas: 15653-40-4
formula: H3N.5/2HNO3.1/2Nd
inchi: InChI=1/5NO3.2H3N.Nd/c5*2-1(3)4;;;/h;;;;;2*1H3;/q5*-1;;;+3/p+2
inchikey: GHPKFTYZEPZTAF-UHFFFAOYSA-P
norman_susdat_id: NS00085623
smiles:
[NH4+].[NH4+].[Nd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: (2-heptadecyl(5H)-oxazol-4-ylidene)bis(methylene) distearate
cas: 15655-33-1
dtxsid: DTXSID50935474
formula: C58H111NO5
inchikey: BPUYDDKNZNJELI-UHFFFAOYSA-N
norman_susdat_id: NS00051136
pubchem_cid: 95104
smiles: O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C58H111NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-59-58(52-62-55,53-63-56(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-64-57(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3


name: Bis(diethyldithiocarbamato-S,S')iron
cas: 15656-03-8
formula: C10H20FeN2S4
inchikey: WTAJDDHWXARSLK-UHFFFAOYSA-L
norman_susdat_id: NS00084580
smiles: CCN(CC)C(=S)S[Fe]SC(=S)N(CC)CC
inchi:
InChI=1/2C5H11NS2.Fe/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20FeN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methanesulfonate
cas: 156575-40-5
dtxsid: DTXSID20895718
formula: C9H7F13O3S
inchikey: FYYKNAPCRXPWEY-UHFFFAOYSA-N
norman_susdat_id: NS00109708
smiles: CS(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H7F13O3S/c1-26(23,24)25-3-2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2-3H2,1H3


name: 6,6'-Dithiodinicotinic acid
cas: 15658-35-2
chemspiderid: 76708
dtxsid: DTXSID40166098
formula: C12H8N2O4S2
inchikey: GSASOFRDSIKDSN-UHFFFAOYSA-N
norman_susdat_id: NS00025085
pubchem_cid: 85040
smiles: OC(=O)c1cnc(SSc2ncc(cc2)C(=O)O)cc1
inchi:
InChI=1S/C12H8N2O4S2/c15-11(16)7-1-3-9(13-5-7)19-20-10-4-2-8(6-14-10)12(17)18/h1-6H,(H,15,16)(H,17,18)


name: Tetrachloro-µ-hydroxy[µ-myristato-O:O')]dichromium
cas: 15659-56-0
formula: C14H28Cl4Cr2O3
inchikey: XWYBFSCQOOCRDS-UHFFFAOYSA-J
norman_susdat_id: NS00085624
smiles: CCCCCCCCCCCCCC1O[Cr](Cl)(Cl)O[Cr](Cl)(Cl)O1
inchi:
InChI=1/C14H28O2.4ClH.2Cr.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;;/h14H,2-13H2,1H3;4*1H;;;/q-2;;;;;2*+5;/p-4/rC14H28Cl4Cr2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-19(15,16)23-20(17,18)22-14/h14H,2-13H2,1H3/q+4


name: Dpmmabg
cas: 156595-85-6
dtxsid: DTXSID50166105
formula: C20H22N6O6
inchikey: WXINNGCGSCFUCR-ZDUSSCGKSA-N
norman_susdat_id: NS00068878
pubchem_cid: 158376
smiles: CN(Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
inchi:
InChI=1S/C20H22N6O6/c1-26(8-11-9-32-18-15(11)16(21)24-20(22)25-18)12-4-2-10(3-5-12)17(29)23-13(19(30)31)6-7-14(27)28/h2-5,9,13H,6-8H2,1H3,(H,23,29)(H,27,28)(H,30,31)(H4,21,22,24,25)/t13-/m0/s1


name: Ketoprofen
cas: 156604-79-4
dtxsid: DTXSID50204652
formula: C16H14O3
inchikey: DKYWVDODHFEZIM-LLVKDONJSA-N
norman_susdat_id: NS00098787
pubchem_cid: 180540
smiles: C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
inchi:
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1


name: Ryanodine
cas: 15662-33-6
chebiid: CHEBI:8925
chemspiderid: 16736002
dtxsid: DTXSID0032574
formula: C25H35N1O9
inchikey: JJSYXNQGLHBRRK-SFEDZAPPSA-N
norman_susdat_id: NS00025087
pubchem_cid: 11317883
inchi:
InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1

smiles:
CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]14C


name: 2-chloro-5-(4-chlorophenoxy)-4-dimethylaminobenzenediazonium tetrachlorozincate (2:1)
cas: 15663-61-3
formula: C14H12Cl2N3O.1/2Cl4Zn
inchikey: KGPCZBNRSRAQBQ-UHFFFAOYSA-J
norman_susdat_id: NS00084849
smiles: CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CN(C)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C14H12Cl2N3O.4ClH.Zn/c2*1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;;;;;/h2*3-8H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H12Cl2N3O.Cl4Zn/c2*1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-5(2,3)4/h2*3-8H,1-2H3;/q2*+1;-2


cas: 15664-19-4
dtxsid: DTXSID70935491
formula: C31H33N3OS2
inchikey: GYTYGDPOBZAIAI-UHFFFAOYSA-N
norman_susdat_id: NS00051612
pubchem_cid: 85890
smiles: O=C1C(=CC=C2SC=3C=CC=4C=CC=CC4C3N2CC)N(C=5C=CC=CC5)C(=S)N1CCCCCCC
name:
5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one

inchi:
InChI=1/C31H33N3OS2/c1-3-5-6-7-13-22-33-30(35)26(34(31(33)36)24-15-9-8-10-16-24)19-21-28-32(4-2)29-25-17-12-11-14-23(25)18-20-27(29)37-28/h8-12,14-21H,3-7,13,22H2,1-2H3


name: 4-Chloro-2,5-dimethoxy-N-(4-methoxybenzyl)phenethylamine
cas: 1566571-35-4
dtxsid: DTXSID901014190
formula: C18H22ClNO3
inchikey: QEGZBQXBCVUMCU-UHFFFAOYSA-N
norman_susdat_id: NS00068015
smiles: COC1=CC=C(CNCCC2=CC(OC)=C(Cl)C=C2OC)C=C1
inchi:
InChI=1S/C18H22ClNO3/c1-21-15-6-4-13(5-7-15)12-20-9-8-14-10-18(23-3)16(19)11-17(14)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3


name: 25H-NBOMe imine analog
cas: 1566571-78-5
chemspiderid: 29341552
formula: C18H21N1O3
inchikey: QPVMUPLRZMIWJW-CPNJWEJPSA-N
norman_susdat_id: NS00017348
pubchem_cid: NA
smiles: COC1=C(CC/N=C/C2=C(OC)C=CC=C2)C=C(OC)C=C1
inchi:
InChI=1S/C18H21NO3/c1-20-16-8-9-18(22-3)14(12-16)10-11-19-13-15-6-4-5-7-17(15)21-2/h4-9,12-13H,10-11H2,1-3H3/b19-13+


name: Butyltris(dodecylthio)stannane
cas: 15666-28-1
dtxsid: DTXSID2065919
formula: C40H84S3Sn
inchikey: BXTPXLVVVVHPKJ-UHFFFAOYSA-K
norman_susdat_id: NS00051613
pubchem_cid: NA
smiles: S(CCCCCCCCCCCC)[Sn](SCCCCCCCCCCCC)(SCCCCCCCCCCCC)CCCC
inchi:
InChI=1/3C12H26S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-4-2;/h3*13H,2-12H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H84S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-41-44(40-12-8-4,42-38-35-32-29-26-23-20-17-14-10-6-2)43-39-36-33-30-27-24-21-18-15-11-7-3/h5-40H2,1-4H3


name: 2-hydroxyethylmenthylcarbonat
cas: 156679-39-9
chebiid: CHEBI:174267
chemspiderid: 8013448
dtxsid: DTXSID30431606
formula: C13H24O4
inchikey: JFKCVAZSEWPOIX-UHFFFAOYSA-N
norman_susdat_id: NS00020589
pubchem_cid: 9837728
smiles: CC(C)C1CCC(C)CC1OC(=O)OCCO
inchi:
InChI=1S/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3/t10-,11-,12+/m0/s1


name: Dimethylpabamidopropyl laurdimonium tosylate
cas: 156679-41-3
chemspiderid: 154934
dtxsid: DTXSID80166113
formula: C26H48N3O1
inchikey: RLPAVRZVJNPKLX-UHFFFAOYSA-O
norman_susdat_id: NS00019648
pubchem_cid: 177977
smiles: CC1=CC=C(C=C1)S(O)(=O)=O.CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=C(C=C1)N(C)C
inchi:
InChI=1S/C26H47N3O/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3/h17-20H,6-16,21-23H2,1-5H3/p+1


name: Rostafuroxin
cas: 156722-18-8
dtxsid: DTXSID20870040
formula: C23H34O4
inchikey: AEAPORIZZWBIEX-DTBDINHYSA-N
norman_susdat_id: NS00069227
pubchem_cid: 153976
smiles: C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@]1(O)CC[C@]2(O)c1ccoc1
inchi:
InChI=1S/C23H34O4/c1-20-8-5-17(24)13-15(20)3-4-19-18(20)6-9-21(2)22(25,10-11-23(19,21)26)16-7-12-27-14-16/h7,12,14-15,17-19,24-26H,3-6,8-11,13H2,1-2H3/t15-,17+,18+,19-,20+,21-,22+,23+/m1/s1


name: D-Ribose, 5-(dihydrogen phosphate), barium salt (1:1)
cas: 15673-79-7
formula: C5H11O8P.Ba
inchikey: VNFDCDZWBYRPMC-UHFFFAOYSA-L
norman_susdat_id: NS00085664
smiles: OC1OC(COP2(=O)O[Ba]O2)C(O)C1O
inchi:
InChI=1/C5H11O8P.Ba/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7;/h2-8H,1H2,(H2,9,10,11);/q;+2/p-2/rC5H9BaO8P/c7-3-2(12-5(9)4(3)8)1-11-15(10)13-6-14-15/h2-5,7-9H,1H2


name: (2S,4Z)-5-amino-2-(dibenzylamino)-1,6-diphenylhex-4-en-3-one
cas: 156732-13-7
chemspiderid: 8225479
formula: C32H32N2O1
inchikey: IVYLNCUETJNNJU-UHFFFAOYSA-N
norman_susdat_id: NS00004270
pubchem_cid: 53394942
smiles: NC(Cc1ccccc1)=CC(=O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C32H32N2O/c33-30(21-26-13-5-1-6-14-26)23-32(35)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,23,31H,21-22,24-25,33H2


name: 4-[4-(4-hydroxyphenylazo)phenylamino]-3-nitrobenzenesulfonate
cas: 156738-27-1
chemspiderid: NA
formula: C18H14N4O6S1
inchikey: NJZJAPNMEQCNHY-QZQOTICOSA-N
norman_susdat_id: NS00010242
pubchem_cid: NA
smiles: Oc1ccc(cc1)N=Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(O)(=O)=O)cc1
inchi:
InChI=1S/C18H14N4O6S/c23-15-7-5-14(6-8-15)21-20-13-3-1-12(2-4-13)19-17-10-9-16(29(26,27)28)11-18(17)22(24)25/h1-11,19,23H,(H,26,27,28)/b21-20+


name: Sodium bis[(3-chloro-2-hydroxy-5-nonylphenyl)methanolato(2-)]borate(1-)
cas: 15675-97-5
formula: C32H46BCl2O4.Na
inchikey: AZPZEZCXRXNQMG-UHFFFAOYSA-M
norman_susdat_id: NS00084965
smiles: CCCCCCCCCc1cc(Cl)c(O[Na])c(COB2OCc3cc(CCCCCCCCC)cc(Cl)c3O2)c1
inchi:
InChI=1/C32H47BCl2O4.Na/c1-3-5-7-9-11-13-15-17-25-19-27(31(36)29(34)21-25)23-37-33-38-24-28-20-26(22-30(35)32(28)39-33)18-16-14-12-10-8-6-4-2;/h19-22,36H,3-18,23-24H2,1-2H3;/q;+1/p-1


name: Sulpiride
cas: 15676-16-1
chebiid: CHEBI:32168
chemspiderid: 5162
dtxsid: DTXSID1042574
formula: C15H23N3O4S1
inchikey: BGRJTUBHPOOWDU-UHFFFAOYSA-N
norman_susdat_id: NS00010476
pubchem_cid: 5355
smiles: O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2
inchi:
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)


name: Praseodymium(3+) stearate
cas: 1567-90-1
formula: C18H36O2.1/3Pr
inchikey: HKITTYDLDOKDRC-UHFFFAOYSA-K
norman_susdat_id: NS00080824
smiles: [Pr+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Pr/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Neodymium(3+) stearate
cas: 1567-93-3
formula: C18H36O2.1/3Nd
inchikey: SIINVGJQWZKNSJ-UHFFFAOYSA-K
norman_susdat_id: NS00080825
smiles: [Nd+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Nd/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3


name: Bis(diethyldithiocarbamato-S,S')manganese
cas: 15685-17-3
formula: C10H20MnN2S4
inchikey: SCDJWNPJRZRMGZ-UHFFFAOYSA-L
norman_susdat_id: NS00084902
smiles: CCN(CC)C(=S)S[Mn]SC(=S)N(CC)CC
inchi:
InChI=1/2C5H11NS2.Mn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20MnN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3


name: Biclotymol [INN:DCF]
cas: 15686-33-6
chemspiderid: 64894
dtxsid: DTXSID90166144
formula: C21H26Cl2O2
inchikey: HNOOXWDWUSLXOB-UHFFFAOYSA-N
norman_susdat_id: NS00025099
pubchem_cid: 71878
smiles: CC(C)c1cc(Cl)c(C)c(Cc2c(C)c(Cl)cc(C(C)C)c2O)c1O
inchi:
InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3


name: Butriptyline
cas: 15686-37-0
chebiid: CHEBI:135227
chemspiderid: 20462
dtxsid: DTXSID6022715
formula: C21H27N1
inchikey: ALELTFCQZDXAMQ-UHFFFAOYSA-N
norman_susdat_id: NS00009948
pubchem_cid: 21772
smiles: CC(CC1c2ccccc2CCc2ccccc12)CN(C)C
inchi:
InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3


name: Clemastine
cas: 15686-51-8
chemspiderid: 2679
dtxsid: DTXSID2022832
formula: C21H26Cl1N1O1
inchikey: YNNUSGIPVFPVBX-UHFFFAOYSA-N
norman_susdat_id: NS00008833
pubchem_cid: 2781
smiles: CN1CCCC1CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3


name: Cephalexin
cas: 15686-71-2
chebiid: CHEBI:3534
chemspiderid: 25541
dtxsid: DTXSID9022780
formula: C16H17N3O4S
inchikey: ZAIPMKNFIOOWCQ-UEKVPHQBSA-N
norman_susdat_id: NS00098606
pubchem_cid: 27447
smiles: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O
inchi:
InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1


name: Propiram
cas: 15686-91-6
chebiid: CHEBI:135140
chemspiderid: 24426
dtxsid: DTXSID1023522
formula: C16H25N3O1
inchikey: ZBAFFZBKCMWUHM-UHFFFAOYNA-N
norman_susdat_id: NS00025100
pubchem_cid: NA
smiles: OC(=O)/C=C/C(=O)O.CCC(=O)N(C(C)CN1CCCCC1)c1ncccc1
inchi:
InChI=1S/C16H25N3O/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m1/s1


name: Pyrroliphene
cas: 15686-97-2
chemspiderid: 20487
dtxsid: DTXSID40935549
formula: C23H29NO2
inchikey: XPSOFSIDLMRECY-UHFFFAOYSA-N
norman_susdat_id: NS00114100
pubchem_cid: 21797
smiles: CC(CN1CCCC1)C(CC1=CC=CC=C1)(OC(C)=O)C1=CC=CC=C1
inchi:
InChI=1S/C23H29NO2/c1-19(18-24-15-9-10-16-24)23(26-20(2)25,22-13-7-4-8-14-22)17-21-11-5-3-6-12-21/h3-8,11-14,19H,9-10,15-18H2,1-2H3


name: Dextrofemine
cas: 15687-08-8
chebiid: CHEBI:135109
formula: C18H23NO
inchikey: URCIJDUOBBSMII-UHFFFAOYSA-N
norman_susdat_id: NS00084903
smiles: CC(COc1ccccc1)NC(C)Cc2ccccc2
inchi:
InChI=1/C18H23NO/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3


name: Difebarbamate
cas: 15687-09-9
chebiid: CHEBI:135839
chemspiderid: 64896
formula: C28H42N4O9
inchikey: GJJRIOLBUILIGK-UHFFFAOYSA-N
norman_susdat_id: NS00009192
pubchem_cid: 71880
smiles: CCCCOCC(CN1C(=O)N(CC(COCCCC)OC(O)=N)C(=O)C(CC)(C1=O)c1ccccc1)OC(O)=N
inchi:
InChI=1S/C28H42N4O9/c1-4-7-14-38-18-21(40-25(29)35)16-31-23(33)28(6-3,20-12-10-9-11-13-20)24(34)32(27(31)37)17-22(41-26(30)36)19-39-15-8-5-2/h9-13,21-22H,4-8,14-19H2,1-3H3,(H2,29,35)(H2,30,36)


name: Dodeclonium bromide
cas: 15687-13-5
chebiid: CHEBI:135977
dtxsid: DTXSID10935551
formula: C22H39ClNO
inchikey: CKGHXNXUAQJNMJ-UHFFFAOYSA-M
norman_susdat_id: NS00051968
pubchem_cid: 71686
smiles: [Br-].ClC1=CC=C(OCC[N+](C)(C)CCCCCCCCCCCC)C=C1
inchi:
InChI=1/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1


name: Embutramide
cas: 15687-14-6
chemspiderid: 25547
dtxsid: DTXSID7057654
formula: C17H27N1O3
inchikey: LMBMDLOSPKIWAP-UHFFFAOYSA-N
norman_susdat_id: NS00006548
pubchem_cid: 27453
smiles: CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1
inchi:
InChI=1S/C17H27NO3/c1-4-17(5-2,13-18-16(20)10-7-11-19)14-8-6-9-15(12-14)21-3/h6,8-9,12,19H,4-5,7,10-11,13H2,1-3H3,(H,18,20)


name: Carbifene
cas: 15687-16-8
chebiid: CHEBI:135698
chemspiderid: 9680
dtxsid: DTXSID20166152
formula: C28H34N2O2
inchikey: NQIZDFMZAXUZCZ-UHFFFAOYSA-N
norman_susdat_id: NS00003290
pubchem_cid: 10080
smiles: CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H34N2O2/c1-4-32-28(25-16-10-6-11-17-25,26-18-12-7-13-19-26)27(31)30(3)23-22-29(2)21-20-24-14-8-5-9-15-24/h5-19H,4,20-23H2,1-3H3


name: Oxyfedrine
cas: 15687-41-9
chemspiderid: 25548
dtxsid: DTXSID0023408
formula: C19H23N1O3
inchikey: GDYUVHBMFVMBAF-UHFFFAOYSA-N
norman_susdat_id: NS00007661
pubchem_cid: 27454
smiles: COc1cccc(c1)C(=O)CCNC(C)C(O)c1ccccc1
inchi:
InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3


name: Licofelone
cas: 156897-06-2
dtxsid: DTXSID40166154
formula: C23H22ClNO2
inchikey: UAWXGRJVZSAUSZ-UHFFFAOYSA-N
norman_susdat_id: NS00069236
pubchem_cid: 133021
smiles: CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1
inchi:
InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)


name: Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
cas: 15690-54-7
chemspiderid: 76722
dtxsid: DTXSID80166158
formula: C21H16N4O8
inchikey: DNVSZCZZFZEHDP-UHFFFAOYSA-N
norman_susdat_id: NS00025103
pubchem_cid: 85057
smiles: Cc1c(NC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc(NC(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C21H16N4O8/c1-13-2-3-14(22-20(26)32-17-8-4-15(5-9-17)24(28)29)12-19(13)23-21(27)33-18-10-6-16(7-11-18)25(30)31/h2-12H,1H3,(H,22,26)(H,23,27)


name: Octanoic acid, lead salt
cas: 15696-43-2
formula: C8H16O2.xPb
inchikey: VQPKAMAVKYTPLB-UHFFFAOYSA-N
norman_susdat_id: NS00085335
smiles: [Pb].OC(=O)CCCCCCC
inchi:
InChI=1/C8H16O2.Pb.2H/c1-2-3-4-5-6-7-8(9)10;;;/h2-7H2,1H3,(H,9,10);;;/q;+4;;/rC8H16O2.H2Pb/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);1H2/q;+4


name: Benzobicyclon
cas: 156963-66-5
chebiid: CHEBI:136658
chemspiderid: 9411246
dtxsid: DTXSID3057987
formula: C22H19Cl1O4S2
inchikey: VIXCLRUCUMWJFF-UHFFFAOYSA-N
norman_susdat_id: NS00015377
pubchem_cid: 11236201
smiles: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl
inchi:
InChI=1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3


name: Bis(ethyl 3-oxobutyrato-O1',O3)(propan-2-olato)aluminium
cas: 15698-46-1
formula: C15H25AlO7
inchikey: UNYLUPUUYJVCNE-UHFFFAOYSA-L
norman_susdat_id: NS00086074
smiles: CCOC(=O)C=C(C)O[Al](OC(C)C)OC(=CC(=O)OCC)C
inchi:
InChI=1/2C6H10O3.C3H7O.Al/c2*1-3-9-6(8)4-5(2)7;1-3(2)4;/h2*4,7H,3H2,1-2H3;3H,1-2H3;/q;;-1;+3/p-2/rC15H25AlO7/c1-7-19-14(17)9-12(5)22-16(21-11(3)4)23-13(6)10-15(18)20-8-2/h9-11H,7-8H2,1-6H3


name: (pentane-2,4-dionato-O,O')tris(propan-2-olato)titanium
cas: 15701-48-1
formula: C14H28O5Ti
inchikey: JZVIFMJRHCEQHT-UHFFFAOYSA-N
norman_susdat_id: NS00085268
smiles: CC(C)O[Ti](OC(C)C)(OC(C)C)C(C(=O)C)C(=O)C
inchi:
InChI=1/C5H7O2.3C3H7O.Ti/c1-4(6)3-5(2)7;3*1-3(2)4;/h3H,1-2H3;3*3H,1-2H3;/q;3*-1;+3/rC14H28O5Ti/c1-9(2)17-20(18-10(3)4,19-11(5)6)14(12(7)15)13(8)16/h9-11,14H,1-8H3


name: 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-dodecyl-
cas: 1571-20-6
chemspiderid: 66695
dtxsid: DTXSID5061792
formula: C20H25Cl4N1O2
inchikey: PVGSRFBCZFJQFT-UHFFFAOYSA-N
norman_susdat_id: NS00021703
pubchem_cid: 74078
smiles: CCCCCCCCCCCCN1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
inchi:
InChI=1S/C20H25Cl4NO2/c1-2-3-4-5-6-7-8-9-10-11-12-25-19(26)13-14(20(25)27)16(22)18(24)17(23)15(13)21/h2-12H2,1H3


name: Diammonium 4,4'-bis[(3,4-dihydroxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 1571-36-4
formula: C26H20N4O10S2
inchikey: BTVLOQLIWTZBDD-ZFEDVODKSA-N
norman_susdat_id: NS00047942
pubchem_cid: 415062
inchi:
InChI=1/C26H20N4O10S2.2H3N/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18;;/h1-14,31-34H,(H,35,36,37)(H,38,39,40);2*1H3

smiles:
O=S(=O)([O-])C1=CC(N=NC2=CC=C(O)C(O)=C2)=CC=C1C=CC3=CC=C(N=NC4=CC=C(O)C(O)=C4)C=C3S(=O)(=O)[O-].[NH4+].[NH4+]


name: 4,4'-(1-Phenylethylidene)bisphenol
cas: 1571-75-1
chebiid: CHEBI:165234
chemspiderid: 541979
dtxsid: DTXSID5051444
formula: C20H18O2
inchikey: VOWWYDCFAISREI-UHFFFAOYSA-N
norman_susdat_id: NS00008913
pubchem_cid: 623849
smiles: CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3


name: Noopept
cas: 157115-85-0
chemspiderid: 157065
dtxsid: DTXSID80166214
formula: C17H22N2O4
inchikey: PJNSMUBMSNAEEN-AWEZNQCLSA-N
norman_susdat_id: NS00017406
pubchem_cid: 180496
smiles: CCOC(=O)CNC(=O)C1CCCN1C(=O)CC2=CC=CC=C2
inchi:
InChI=1S/C17H22N2O4/c1-2-23-16(21)12-18-17(22)14-9-6-10-19(14)15(20)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)/t14-/m0/s1


name: Quino[2,3-b]acridine-7,14-dione, 4,11-dichloro-5,6,12,13-tetrahydro-
cas: 15715-19-2
chemspiderid: 76726
dtxsid: DTXSID1065926
formula: C20H12Cl2N2O2
inchikey: DDVFOLVGRBHZJB-UHFFFAOYSA-N
norman_susdat_id: NS00025107
pubchem_cid: 85062
smiles: Clc1cccc2c1[nH]c1c(Cc3c(C1)c(=O)c1cccc(Cl)c1[nH]3)c2=O
inchi:
InChI=1S/C20H12Cl2N2O2/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/h1-6H,7-8H2,(H,23,25)(H,24,26)


name: Aluminum perfluoro-6-methylheptanoate
cas: 15715-47-6
dtxsid: DTXSID10897549
formula: C24AlF45O6
inchikey: MRUZESNNSQUIOL-UHFFFAOYSA-K
norman_susdat_id: NS00109469
inchi:
InChI=1S/3C8HF15O2.Al/c3*9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23;/h3*(H,24,25);/q;;;+3/p-3

smiles:
[Al+3].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F


name: Tetracyclohexyl orthosilicate
cas: 15717-29-0
dtxsid: DTXSID6065929
formula: C24H44O4Si
inchikey: KKZOJPJHWKWAID-UHFFFAOYSA-N
norman_susdat_id: NS00052058
pubchem_cid: 85066
smiles: O(C1CCCCC1)[Si](OC2CCCCC2)(OC3CCCCC3)OC4CCCCC4
inchi:
InChI=1/C24H44O4Si/c1-5-13-21(14-6-1)25-29(26-22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)28-24-19-11-4-12-20-24/h21-24H,1-20H2


name: 8-bromoguanosine 2',3',5'-triacetate
cas: 15717-45-0
dtxsid: DTXSID00935621
formula: C16H18BrN5O8
inchikey: JLZCAXCVNVVXJL-IDTAVKCVSA-N
norman_susdat_id: NS00052009
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1N=C(Br)N2C3OC(COC(=O)C)C(OC(=O)C)C3OC(=O)C)N
inchi:
InChI=1/C16H18BrN5O8/c1-5(23)27-4-8-10(28-6(2)24)11(29-7(3)25)14(30-8)22-12-9(19-15(22)17)13(26)21-16(18)20-12/h8,10-11,14H,4H2,1-3H3,(H3,18,20,21,26)


name: methanandamide
cas: 157182-49-5
chebiid: CHEBI:167729
chemspiderid: 4881984
dtxsid: DTXSID70425004
formula: C23H39N1O2
inchikey: SQKRUBZPTNJQEM-FQPARAGTSA-N
norman_susdat_id: NS00016760
pubchem_cid: 6321351
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(C)CO
inchi:
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1


name: Perfluoro-9-methyldecanoyl fluoride
cas: 15720-98-6
chemspiderid: 76732
dtxsid: DTXSID5065930
formula: C11F22O1
inchikey: YEONIHINJPEQCM-UHFFFAOYSA-N
norman_susdat_id: NS00011268
pubchem_cid: 85068
smiles: O=C(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/C11F22O/c12-1(34)2(13,14)4(16,17)6(20,21)8(24,25)9(26,27)7(22,23)5(18,19)3(15,10(28,29)30)11(31,32)33


name: O-7460
cas: 1572051-31-0
chemspiderid: 35099485
formula: C25H48F1O5P1
inchikey: ZLEFMXNNQCABDB-SEYXRHQNSA-N
norman_susdat_id: NS00016769
pubchem_cid: NA
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OC(COC(C)C)COP(=O)(C)F
inchi:
InChI=1S/C25H48FO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(27)31-24(21-29-23(2)3)22-30-32(4,26)28/h12-13,23-24H,5-11,14-22H2,1-4H3/b13-12-


name: 4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine
cas: 15721-78-5
chemspiderid: 76733
dtxsid: DTXSID3029310
formula: C28H43N1
inchikey: GQBHYWDCHSZDQU-UHFFFAOYSA-N
norman_susdat_id: NS00019782
pubchem_cid: 85069
smiles: CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1
inchi:
InChI=1S/C28H43N/c1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)29-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6/h11-18,29H,19-20H2,1-10H3


name: Olsalazine
cas: 15722-48-2
chebiid: CHEBI:7770
chemspiderid: 56272
dtxsid: DTXSID8023391
formula: C14H10N2O6
inchikey: QQBDLJCYGRGAKP-UHFFFAOYSA-N
norman_susdat_id: NS00025112
pubchem_cid: NA
smiles: OC(=O)c1cc(ccc1O)N=Nc1ccc(O)c(c1)C(=O)O
inchi:
InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+


name: N,N'-Acridine-3,6-diyldi(acetamide)
cas: 15724-70-6
chemspiderid: 76734
dtxsid: DTXSID20166233
formula: C17H15N3O2
inchikey: IPBVFYCAVIISQF-UHFFFAOYSA-N
norman_susdat_id: NS00025113
pubchem_cid: 85070
smiles: CC(=O)Nc1cc2nc3cc(NC(=O)C)ccc3cc2cc1
inchi:
InChI=1S/C17H15N3O2/c1-10(21)18-14-5-3-12-7-13-4-6-15(19-11(2)22)9-17(13)20-16(12)8-14/h3-9H,1-2H3,(H,18,21)(H,19,22)


name: [(2-{4-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide
cas: 157254-60-9
formula: C12H18N4S2
inchikey: FZWGDUUJDZCYJR-UHFFFAOYSA-N
norman_susdat_id: NS00069237
pubchem_cid: 1337
smiles: N=C(N)SCCc1ccc(CCSC(=N)N)cc1
inchi:
InChI=1S/C12H18N4S2/c13-11(14)17-7-5-9-1-2-10(4-3-9)6-8-18-12(15)16/h1-4H,5-8H2,(H3,13,14)(H3,15,16)


name: travoprost
cas: 157283-68-6
chebiid: CHEBI:746859
chemspiderid: 29341351
formula: C26H35F3O6
inchikey: MKPLKVHSHYCHOC-AHTXBMBWSA-N
norman_susdat_id: NS00007104
pubchem_cid: 5282226
smiles: CC(C)OC(=O)CCCC=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1C=C[C@@H](O)COc1cccc(c1)C(F)(F)F
inchi:
InChI=1S/C26H35F3O6/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3/b5-3-,13-12+/t19-,21-,22-,23+,24-/m1/s1


cas: 157367-45-8
chemspiderid: 19514064
formula: C62H82N16O4
inchikey: MZLOLIIBMRZBTH-UHFFFAOYSA-N
norman_susdat_id: NS00003258
pubchem_cid: 20715243
name:
4,4'-bis[(4,6-bis{[3-(diethylamino )propyl]amino}- 1,3,5-triazin-2-yl)amino]-1,1'-bianthracene-9,9',10,10'-tetrone

inchi:
InChI=1S/C62H82N16O4/c1-9-75(10-2)37-21-33-63-57-69-58(64-34-22-38-76(11-3)12-4)72-61(71-57)67-47-31-29-41(49-51(47)55(81)45-27-19-17-25-43(45)53(49)79)42-30-32-48(52-50(42)54(80)44-26-18-20-28-46(44)56(52)82)68-62-73-59(65-35-23-39-77(13-5)14-6)70-60(74-62)66-36-24-40-78(15-7)16-8/h17-20,25-32H,9-16,21-24,33-40H2,1-8H3,(H3,63,64,67,69,71,72)(H3,65,66,68,70,73,74)

smiles:
CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc(-c3ccc(Nc4nc(NCCCN(CC)CC)nc(NCCCN(CC)CC)n4)c4C(=O)c5ccccc5C(=O)c34)c3C(=O)c4ccccc4C(=O)c23)n1


name: Sulphuric acid, lead salt
cas: 15739-80-7
formula: H2O4S.xPb
inchikey: SMBGWMJTOOLQHN-UHFFFAOYSA-N
norman_susdat_id: NS00084949
smiles: [Pb].OS(O)(=O)=O
inchi:
InChI=1/H2O4S.Pb.2H/c1-5(2,3)4;;;/h(H2,1,2,3,4);;;/q;+4;;/rH2O4S.H2Pb/c1-5(2,3)4;/h(H2,1,2,3,4);1H2/q;+4


name: Lead disalicylate
cas: 15748-73-9
formula: C14H10O6Pb
inchikey: CNVULGHYDPMIHD-UHFFFAOYSA-L
norman_susdat_id: NS00085370
smiles: [Pb+2].O=C([O-])c1ccccc1O.[O-]C(=O)c1ccccc1O
inchi:
InChI=1/2C7H6O3.Pb.2H/c2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-4,8H,(H,9,10);;;/q;;+4;;/p-2/r2C7H6O3.H2Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);1H2/q;;+4/p-2


name: 2,2-dimethyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
cas: 15757-54-7
dtxsid: DTXSID80884845
formula: C18H18N3O2
inchikey: ZURRJBURTJNBNL-UHFFFAOYSA-N
norman_susdat_id: NS00052822
pubchem_cid: 27473
smiles: O=[N+]([O-])C1=CC=C(C=C1)C2N3C2C(=NC3(C)C)C=4C=CC=CC4
inchi:
InChI=1/C18H17N3O2/c1-18(2)19-15(12-6-4-3-5-7-12)17-16(20(17)18)13-8-10-14(11-9-13)21(22)23/h3-11,16-17H,1-2H3


cas: 157577-99-6
inchikey: GLNHIAPTFHWQKY-UHFFFAOYSA-L
norman_susdat_id: NS00078180
name:
Disodium 4-amino-3-[{4-[({4-[(2,4-diaminophenyl)diazenyl]phenyl}sulfonyl)amino]phenyl}diazenyl]-5-hydroxy-6-[phenyldiazenyl]naphthalene-2,7-disulfonate

smiles:
[Na+].[Na+].Nc1ccc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccc(cc2)N=Nc2c(N)c3c(O)c(N=Nc4ccccc4)c(cc3cc2S([O-])(=O)=O)S([O-])(=O)=O)c(N)c1


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-N,N-diphenylnonanamide
cas: 157584-47-9
dtxsid: DTXSID90896196
formula: C21H10F17NO
inchikey: IDJHICNQDCLWAB-UHFFFAOYSA-N
norman_susdat_id: NS00112149
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)N(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H10F17NO/c22-14(23,13(40)39(11-7-3-1-4-8-11)12-9-5-2-6-10-12)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h1-10H


name: Dehydrotomatine
cas: 157604-98-3
chemspiderid: 101920881
formula: C50H81NO21
inchikey: BYMOGFTUZUEFHY-ZLBXDWPISA-N
norman_susdat_id: NS00094318
smiles:
C[C@@H]1CC[C@]2(C([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7C([C@H]([C@H]([C@@H](O7)CO)O[C@H]8C([C@H]([C@@H]([C@@H](O8)CO)O)O[C@H]9C([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)CO)O)O)O)O)O)C)C)C)NC1


name: Alatrofloxacin
cas: 157605-25-9
chemspiderid: 2343243
dtxsid: DTXSID4057893
formula: C26H25F3N6O5
inchikey: UUZPPAMZDFLUHD-LZGARRQBSA-N
norman_susdat_id: NS00007312
pubchem_cid: 71776189
smiles: C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1[C@H]2CN(C[C@@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
inchi:
InChI=1S/C26H25F3N6O5/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)/t10-,11-,14-,15+,20?/m0/s1


name: Dimethyl ((3-((2-methyl-1-oxoallyl)amino)phenyl)sulphonyl)phosphoramidate
cas: 15762-53-5
chemspiderid: 76748
dtxsid: DTXSID00166296
formula: C12H17N2O6P1S1
inchikey: VGQJNYUIUBRKHQ-UHFFFAOYSA-N
norman_susdat_id: NS00025128
pubchem_cid: 85085
smiles: COP(=O)(NS(=O)(=O)c1cccc(NC(=O)C(=C)C)c1)OC
inchi:
InChI=1S/C12H17N2O6PS/c1-9(2)12(15)13-10-6-5-7-11(8-10)22(17,18)14-21(16,19-3)20-4/h5-8H,1H2,2-4H3,(H,13,15)(H,14,16)


name: 1-Methyladenosine
cas: 15763-06-1
chemspiderid: 17216227
formula: C11H15N5O4
inchikey: GFYLSDSUCHVORB-UHFFFAOYSA-N
norman_susdat_id: NS00014644
pubchem_cid: 260623
smiles: Cn1cnc2c(c1=N)ncn2C3C(C(C(O3)CO)O)O
inchi:
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3


name: QUATERNIUM-73
cas: 15763-48-1
chemspiderid: 4948260
formula: C23H39N2S2
inchikey: WDUDHDNQGNWNCF-UHFFFAOYSA-N
norman_susdat_id: NS00014033
pubchem_cid: NA
smiles: [I-].CCCCCCCN1C(=CSC1=C/c2scc(C)[n+]2CCCCCCC)C
inchi:
InChI=1S/C23H39N2S2.HI/c1-5-7-9-11-13-15-24-20(3)18-26-22(24)17-23-25(21(4)19-27-23)16-14-12-10-8-6-2;/h17-19H,5-16H2,1-4H3;1H/q+1;/p-1


name: Dipotassium 2,5-dihydroxybenzene-1,4-disulphonate
cas: 15763-57-2
formula: C6H6O8S2.2K
inchikey: AVXGDRLJYMNJNK-UHFFFAOYSA-L
norman_susdat_id: NS00084952
smiles: [K+].[K+].Oc1cc(c(O)cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C6H6O8S2.2K/c7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2


name: Ctrinin hydrate
cas: 157643-56-6
chemspiderid: 165782
dtxsid: DTXSID80166299
formula: C13H16O6
inchikey: MBTAFMZUDOUGPS-CGKQSRJASA-N
norman_susdat_id: NS00094953
pubchem_cid: 190886
smiles: C[C@@H]1[C@H](O[C@@H](C2=C1C(=C(C(=C2O)C(=O)O)O)C)O)C
inchi:
InChI=1S/C13H16O6/c1-4-6(3)19-13(18)8-7(4)5(2)10(14)9(11(8)15)12(16)17/h4,6,13-15,18H,1-3H3,(H,16,17)/t4-,6-,13+/m1/s1


name: 2-methyl-4-(1,1-dimethylethyl)-6-(1-methyl-pentadecyl)phenol
cas: 157661-93-3
chemspiderid: 14293201
formula: C27H48O1
inchikey: LALMYSXJJWCRDR-UHFFFAOYSA-N
norman_susdat_id: NS00007517
pubchem_cid: 18961322
smiles: CCCCCCCCCCCCCCC(C)c1cc(cc(C)c1O)C(C)(C)C
inchi:
InChI=1S/C27H48O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)25-21-24(27(4,5)6)20-23(3)26(25)28/h20-22,28H,7-19H2,1-6H3


name: Ethoxydiisobutylaluminium
cas: 15769-72-9
formula: C10H23AlO
inchikey: XGAIERUWZADBAO-UHFFFAOYSA-N
norman_susdat_id: NS00085399
smiles: CCO[Al](CC(C)C)CC(C)C
inchi:
InChI=1/2C4H9.C2H5O.Al/c2*1-4(2)3;1-2-3;/h2*4H,1H2,2-3H3;2H2,1H3;/q;;-1;+1/rC10H23AlO/c1-6-12-11(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3


name: Perifosine
cas: 157716-52-4
dtxsid: DTXSID3048946
formula: C25H53NO4P
inchikey: SZFPYBIJACMNJV-UHFFFAOYSA-O
norman_susdat_id: NS00070394
pubchem_cid: 148178
smiles: CCCCCCCCCCCCCCCCCCO[P@](=O)(O)OC1CC[N+](C)(C)CC1
inchi:
InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1


name: 2-Butenedioic acid (2Z)-, mono[2-[(2-hydroxyethyl)phenylamino]ethyl] ester
cas: 15772-26-6
chemspiderid: 4941064
dtxsid: DTXSID0065935
formula: C14H17N1O5
inchikey: PTTYCKUPSLRLBP-UHFFFAOYSA-N
norman_susdat_id: NS00025131
pubchem_cid: 85092
smiles: OCCN(CCOC(=O)/C=CC(=O)O)c1ccccc1
inchi:
InChI=1S/C14H17NO5/c16-10-8-15(12-4-2-1-3-5-12)9-11-20-14(19)7-6-13(17)18/h1-7,16H,8-11H2,(H,17,18)/b7-6-


name: 2-Naphthalenecarboxylic acid, 4-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]phenyl]azo]-3-hydroxy-
cas: 15773-36-1
dtxsid: DTXSID5065936
formula: C27H25N5O5
inchikey: MGGBSIKFUGTNBB-UHFFFAOYSA-N
norman_susdat_id: NS00052050
pubchem_cid: 85093
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC=C(N=NC4=CC=C(C=C4)N(CCO)CCO)C=C3)=C1O
inchi:
InChI=1/C27H25N5O5/c33-15-13-32(14-16-34)22-11-9-21(10-12-22)29-28-19-5-7-20(8-6-19)30-31-25-23-4-2-1-3-18(23)17-24(26(25)35)27(36)37/h1-12,17,33-35H,13-16H2,(H,36,37)


name: Lead dihexanoate
cas: 15773-53-2
formula: C6H12O2.1/2Pb
inchikey: UELQWBTWVFWJLG-UHFFFAOYSA-L
norman_susdat_id: NS00086155
smiles: [Pb+2].O=C([O-])CCCCC.[O-]C(=O)CCCCC
inchi:
InChI=1/2C6H12O2.Pb.2H/c2*1-2-3-4-5-6(7)8;;;/h2*2-5H2,1H3,(H,7,8);;;/q;;+4;;/p-2/r2C6H12O2.H2Pb/c2*1-2-3-4-5-6(7)8;/h2*2-5H2,1H3,(H,7,8);1H2/q;;+4/p-2


name: Lead dilaurate
cas: 15773-55-4
formula: C12H24O2.1/2Pb
inchikey: YDKNIVGNQVFYPR-UHFFFAOYSA-L
norman_susdat_id: NS00084983
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);;;/q;;+4;;/p-2/r2C12H24O2.H2Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2*2-11H2,1H3,(H,13,14);1H2/q;;+4/p-2


name: Lead dipalmitate
cas: 15773-56-5
formula: C16H32O2.1/2Pb
inchikey: QZWHQSRWOYUNFT-UHFFFAOYSA-L
norman_susdat_id: NS00086156
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.Pb.2H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;;/h2*2-15H2,1H3,(H,17,18);;;/q;;+4;;/p-2/r2C16H32O2.H2Pb/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);1H2/q;;+4/p-2


name: 3-[2-(diethylamino)ethyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one hydrochloride
cas: 15776-59-7
dtxsid: DTXSID70935799
formula: C16H21NO3
inchikey: RLJNKMCFVQMDFR-UHFFFAOYSA-N
norman_susdat_id: NS00052051
pubchem_cid: 5292679
smiles: Cl.O=C1OC=2C=C(O)C=CC2C(=C1CCN(CC)CC)C
inchi:
InChI=1/C16H21NO3.ClH/c1-4-17(5-2)9-8-14-11(3)13-7-6-12(18)10-15(13)20-16(14)19;/h6-7,10,18H,4-5,8-9H2,1-3H3;1H


name: Strontium 4-[(4-chloro-3-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1)
cas: 15782-03-3
formula: C17H11ClN2O6S.Sr
inchikey: XXAGCLUZHRWQAF-UHFFFAOYSA-L
norman_susdat_id: NS00086157
smiles: [SrH2].O=S([O-])(=O)c1cc(ccc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O
inchi:
InChI=1/C17H11ClN2O6S.Sr.2H/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;;;/h1-8,21H,(H,22,23)(H,24,25,26);;;/q;+2;;/p-2/rC17H11ClN2O6S.H2Sr/c18-13-6-5-10(8-14(13)27(24,25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)21)17(22)23;/h1-8,21H,(H,22,23)(H,24,25,26);1H2/q;+2/p-2


name: Barium bis[4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate]
cas: 15782-04-4
formula: C16H12N2O4S.1/2Ba
inchikey: BEXFCYUYPJZRLU-UHFFFAOYSA-L
norman_susdat_id: NS00086158
smiles: [Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c3ccccc3ccc2O
inchi:
InChI=1/2C16H12N2O4S.Ba/c2*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h2*1-10,19H,(H,20,21,22);/q;;+2/p-2


name: Strontium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate (1:1)
cas: 15782-05-5
dtxsid: DTXSID90884851
formula: C18H11ClN2O6SSr
inchikey: JBMOZNVEFFSGCK-UHFFFAOYSA-L
norman_susdat_id: NS00074408
smiles: [Sr++].CC1=C(Cl)C=C(N=NC2=C(O)C(=CC3=C2C=CC=C3)C([O-])=O)C(=C1)S([O-])(=O)=O
inchi:
InChI=1S/C18H13ClN2O6S.Sr/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Barium 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate (3:2)
cas: 15782-06-6
formula: C17H12N2O9S2.3/2Ba
inchikey: HOPADBIWZQWJPG-UHFFFAOYSA-H
norman_susdat_id: NS00085400
inchi:
InChI=1/2C17H12N2O9S2.3Ba/c2*20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;;/h2*1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;;3*+2/p-6

smiles:
[Ba].[Ba].[Ba].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O.[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O


name: Dicyclohexyl tartrate
cas: 15785-59-8
dtxsid: DTXSID20935825
formula: C16H26O6
inchikey: UXHUJQMSTNOTRT-UHFFFAOYSA-N
norman_susdat_id: NS00052052
pubchem_cid: 85907
smiles: O=C(OC1CCCCC1)C(O)C(O)C(=O)OC2CCCCC2
inchi:
InChI=1/C16H26O6/c17-13(15(19)21-11-7-3-1-4-8-11)14(18)16(20)22-12-9-5-2-6-10-12/h11-14,17-18H,1-10H2


name: Clencyclohexerol
cas: 157877-79-7
chemspiderid: 23976707
dtxsid: DTXSID901016396
formula: C14H20Cl2N2O2
inchikey: DKFLKXDTRUWFDL-UHFFFAOYSA-N
norman_susdat_id: NS00017975
pubchem_cid: 46783606
smiles: C1CC(CCC1NCC(C2=CC(=C(C(=C2)Cl)N)Cl)O)O
inchi:
InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2


name: 6-hydroxy-5-[(4-sulfophenyl)azo]-2-naphthalenesulfonic acid
cas: 15790-07-5
chemspiderid: 10617609
formula: C16H12N2O7S2
inchikey: KEYWXKLGZZGHMT-ISLYRVAYSA-N
norman_susdat_id: NS00006685
pubchem_cid: NA
smiles: Oc1ccc2cc(ccc2c1N=Nc1ccc(cc1)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+


name: Methyl 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoate
cas: 15790-15-5
dtxsid: DTXSID50884852
formula: C18H16N4O3
inchikey: QJGOOFISESXSNF-UHFFFAOYSA-N
norman_susdat_id: NS00052067
pubchem_cid: 85106
smiles: O=C(OC)C1=CC=C(N=NC2C(=O)N(N=C2C)C=3C=CC=CC3)C=C1
inchi:
InChI=1/C18H16N4O3/c1-12-16(17(23)22(21-12)15-6-4-3-5-7-15)20-19-14-10-8-13(9-11-14)18(24)25-2/h3-11,16H,1-2H3


name: 1,8-dihydroxy-4-[[4-(2-hydroxyethyl)phenyl]amino]-5-nitroanthraquinone
cas: 15791-78-3
formula: C22H16N2O7
inchikey: VOCYGZAHYQXJOF-UHFFFAOYSA-N
norman_susdat_id: NS00086980
smiles: OCCc1ccc(Nc2ccc(O)c3C(=O)c4c(O)ccc(c4C(=O)c23)[N+](=O)[O-])cc1
inchi:
InChI=1/C22H16N2O7/c25-10-9-11-1-3-12(4-2-11)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/h1-8,23,25-27H,9-10H2


cas: 15792-41-3
dtxsid: DTXSID30889648
formula: C20H12Cl3N5O10S3
inchikey: ZHDFKPUCUYZGGM-UHFFFAOYSA-K
norman_susdat_id: NS00053926
pubchem_cid: 85108
name:
Trisodium 4-hydroxy-3-[(2-sulphonatophenyl)azo]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C20H12Cl3N5O10S3.3Na/c21-15-18(22)25-20(23)26-19(15)24-11-7-9(39(30,31)32)5-8-6-13(41(36,37)38)16(17(29)14(8)11)28-27-10-3-1-2-4-12(10)40(33,34)35;;;/h1-7,29H,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC=4N=C(Cl)N=C(Cl)C4Cl)S(=O)(=O)[O-]


name: C.I. Acid Red 138, disodium salt
cas: 15792-43-5
chemspiderid: 7850471
dtxsid: DTXSID9065944
formula: C30H39N3O8S2
inchikey: CZWHGIACASUWJC-UHFFFAOYSA-L
norman_susdat_id: NS00020387
pubchem_cid: 101916022
smiles: [Na+].[Na+].CCCCCCCCCCCCc1ccc(N/N=C/2C(=O)c3c(cc(cc3NC(=O)C)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])cc1
inchi:
InChI=1S/C30H39N3O8S2/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-16-24(17-15-22)32-33-29-27(43(39,40)41)19-23-18-25(42(36,37)38)20-26(31-21(2)34)28(23)30(29)35/h14-20,32H,3-13H2,1-2H3,(H,31,34)(H,36,37,38)(H,39,40,41)/b33-29-


cas: 15792-50-4
dtxsid: DTXSID90889649
formula: C35H28N6O10S3
inchikey: DBWXHWIECBQPCI-UHFFFAOYSA-L
norman_susdat_id: NS00053989
pubchem_cid: NA
name:
Disodium 4-(4-((4-methylphenyl)sulphonyloxy)phenylazo)-4'-(5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-ylazo)-1,1'-biphenyl-3-sulphonate

inchi:
InChI=1/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)N2N=C(C(N=NC=3C=CC(=CC3)C4=CC=C(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)C(=C4)S(=O)(=O)[O-])=C2O)C


cas: 15792-51-5
formula: C22H17Cl2N5O6S2
inchikey: CSZFHVQHDJJYJG-UHFFFAOYSA-M
norman_susdat_id: NS00053535
pubchem_cid: 3014905
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=CC(=C2)S(=O)(=O)NC=3C=CC=CC3)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]
name:
Sodium 4-[4-[[3-(anilinosulphonyl)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate

inchi:
InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-15-8-5-9-16(10-15)36(31,32)28-14-6-3-2-4-7-14;/h2-12,21,28H,1H3,(H,33,34,35);/q;+1/p-1


name: Terodiline
cas: 15793-40-5
chebiid: CHEBI:135168
chemspiderid: 21952
dtxsid: DTXSID60860001
formula: C20H27N
inchikey: UISARWKNNNHPGI-UHFFFAOYSA-N
norman_susdat_id: NS00100981
pubchem_cid: 23480
smiles: CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C
inchi:
InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3


cas: 15793-73-4
chemspiderid: 77493
dtxsid: DTXSID60864640
formula: C34H28Cl2N8O2
inchikey: UIBAAMBCJDNDSQ-UHFFFAOYSA-N
norman_susdat_id: NS00003486
pubchem_cid: 85908
smiles: CC1=NN(C(=O)C1N=Nc1ccc(cc1Cl)-c1ccc(N=NC2C(C)=NN(C2=O)c2ccc(C)cc2)c(Cl)c1)c1ccc(C)cc1
name:
3H-Pyrazol-3-one, 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[2,4-dihydro-5-methyl-2-(4-methylphenyl)-

inchi:
InChI=1S/C34H28Cl2N8O2/c1-19-5-11-25(12-6-19)43-33(45)31(21(3)41-43)39-37-29-15-9-23(17-27(29)35)24-10-16-30(28(36)18-24)38-40-32-22(4)42-44(34(32)46)26-13-7-20(2)8-14-26/h5-18,31-32H,1-4H3


name: (octanoato-O)oxoaluminium
cas: 15796-28-8
formula: C8H15AlO3
inchikey: FQNBRCOQXUOHME-UHFFFAOYSA-M
norman_susdat_id: NS00087531
smiles: CCCCCCCC(=O)O[Al]=O
inchi:
InChI=1/C8H16O2.Al.O/c1-2-3-4-5-6-7-8(9)10;;/h2-7H2,1H3,(H,9,10);;/q;+1;/p-1/rC8H15AlO3/c1-2-3-4-5-6-7-8(10)12-9-11/h2-7H2,1H3


name: 6-Deoxyerythronolide B
cas: 15797-36-1
chebiid: CHEBI:16089
dtxsid: DTXSID50935833
formula: C21H38O6
inchikey: HQZOLNNEQAKEHT-IBBGRPSASA-N
norman_susdat_id: NS00069776
pubchem_cid: 121904
smiles: CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
inchi:
InChI=1S/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-,16-,18+,19+,20+/m1/s1


name: Paraflutizide
cas: 1580-83-2
formula: C14H13ClFN3O4S2
inchikey: JDCJFONQCRLHND-UHFFFAOYSA-N
norman_susdat_id: NS00047991
pubchem_cid: 71805
smiles: O=S(=O)(N)C=1C=C2C(=CC1Cl)NC(NS2(=O)=O)CC3=CC=C(F)C=C3
inchi:
InChI=1/C14H13ClFN3O4S2/c15-10-6-11-13(7-12(10)24(17,20)21)25(22,23)19-14(18-11)5-8-1-3-9(16)4-2-8/h1-4,6-7,14,18-19H,5H2,(H2,17,20,21)


name: Agl-582
cas: 158021-47-7
chebiid: CHEBI:466659
formula: C50H99NO9
inchikey: VQFKFAKEUMHBLV-BYSUZVQFSA-N
norman_susdat_id: NS00073040
pubchem_cid: 2826713
inchi:
InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1

smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC


cas: 158039-15-7
chemspiderid: 48058566
dtxsid: DTXSID30747532
formula: C17H20N6O7S4
inchikey: JOKBPDNPVWSNNL-UHFFFAOYSA-N
norman_susdat_id: NS00040648
pubchem_cid: 71315660
smiles: CON=C(C(=O)NC1C2SCC(CSSCC(N)C(O)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1
name:
(6R,7R)-3-({[(2R)-2-Amino-2-carboxyethyl]disulfanyl}methyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C17H20N6O7S4/c1-30-22-9(8-5-32-17(19)20-8)12(24)21-10-13(25)23-11(16(28)29)6(2-31-14(10)23)3-33-34-4-7(18)15(26)27/h5,7,10,14H,2-4,18H2,1H3,(H2,19,20)(H,21,24)(H,26,27)(H,28,29)


name: 1H-Benzotriazole, 5,5'-methylenebis-
cas: 15805-10-4
chemspiderid: 76764
dtxsid: DTXSID4065947
formula: C13H10N6
inchikey: IWASLBFJTMJYHF-UHFFFAOYSA-N
norman_susdat_id: NS00020749
pubchem_cid: 85114
smiles: C(c1cc2n[nH]nc2cc1)c1cc2n[nH]nc2cc1
inchi:
InChI=1S/C13H10N6/c1-3-10-12(16-18-14-10)6-8(1)5-9-2-4-11-13(7-9)17-19-15-11/h1-4,6-7H,5H2,(H,14,16,18)(H,15,17,19)


name: Butane-1,4-diyl dinonanoate
cas: 15805-92-2
chemspiderid: 76767
dtxsid: DTXSID40166356
formula: C22H42O4
inchikey: NSZQGANCYYPANK-UHFFFAOYSA-N
norman_susdat_id: NS00021708
pubchem_cid: 85117
smiles: CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC
inchi:
InChI=1S/C22H42O4/c1-3-5-7-9-11-13-17-21(23)25-19-15-16-20-26-22(24)18-14-12-10-8-6-4-2/h3-20H2,1-2H3


name: 4-(hexadecylamino)-4-oxoisocrotonic acid
cas: 15806-42-5
dtxsid: DTXSID30935851
formula: C20H37NO3
inchikey: BBTWPENPOIZEIL-MSUUIHNZSA-N
norman_susdat_id: NS00053990
pubchem_cid: 21116159
smiles: O=C(O)C=CC(=O)NCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19(22)16-17-20(23)24/h16-17H,2-15,18H2,1H3,(H,21,22)(H,23,24)


name: D-Mannitol 1-phosphate
cas: 15806-48-1
chebiid: CHEBI:16298
chemspiderid: 598
formula: C6H15O9P1
inchikey: GACTWZZMVMUKNG-KVTDHHQDSA-N
norman_susdat_id: NS00015241
pubchem_cid: 130418
smiles: C(C(C(C(C(COP(=O)(O)O)O)O)O)O)O
inchi:
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1


name: 4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline
cas: 158066-25-2
chemspiderid: 74988
dtxsid: DTXSID5051650
formula: C27H26N2O2
inchikey: KMKWGXGSGPYISJ-UHFFFAOYSA-N
norman_susdat_id: NS00005791
pubchem_cid: 83119
smiles: CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
inchi:
InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3


name: CP-105696
cas: 158081-99-3
chemspiderid: 8042948
dtxsid: DTXSID7047308
formula: C28H28O4
inchikey: KMNLXCBYBKHKSK-BKMJKUGQSA-N
norman_susdat_id: NS00015675
pubchem_cid: 9867257
smiles: C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O
inchi:
InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1


name: Benzyldimethyl[3-[(1-oxotetradecyl)amino]propyl]ammonium chloride
cas: 15809-19-5
formula: C26H47N2O
inchikey: JQQZCIIDNVIQKO-UHFFFAOYSA-N
norman_susdat_id: NS00053991
pubchem_cid: 72950
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=1C=CC=CC1)CCCCCCCCCCCCC
inchi:
InChI=1/C26H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H


name: Perfluoro-11-methyldodecanoyl fluoride
cas: 15811-52-6
chemspiderid: 76768
dtxsid: DTXSID4065949
formula: C13F26O1
inchikey: KRIKPLSQWRBSRS-UHFFFAOYSA-N
norman_susdat_id: NS00011271
pubchem_cid: 85118
smiles: O=C(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/C13F26O/c14-1(40)2(15,16)4(18,19)6(22,23)8(26,27)10(30,31)11(32,33)9(28,29)7(24,25)5(20,21)3(17,12(34,35)36)13(37,38)39


name: 2,2'-(2,2',3,3',5,5',6,6'-octachlorobiphenyl-4,4'-ylenediimino)diethanol
cas: 15811-54-8
dtxsid: DTXSID10935859
formula: C16H12Cl8N2O2
inchikey: IQQMBEJKKYHXKS-UHFFFAOYSA-N
norman_susdat_id: NS00053927
pubchem_cid: 85119
smiles: ClC1=C(Cl)C(=C(Cl)C(Cl)=C1NCCO)C2=C(Cl)C(Cl)=C(NCCO)C(Cl)=C2Cl
inchi:
InChI=1/C16H12Cl8N2O2/c17-7-5(8(18)12(22)15(11(7)21)25-1-3-27)6-9(19)13(23)16(26-2-4-28)14(24)10(6)20/h25-28H,1-4H2


name: Octanoic acid, compound with dicyclohexylamine (1:1)
cas: 15816-71-4
formula: C12H23N.C8H16O2
inchikey: HFNYKMJSBDPKSF-UHFFFAOYSA-N
norman_susdat_id: NS00087026
smiles: CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C12H23N.C8H16O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-4-5-6-7-8(9)10/h11-13H,1-10H2;2-7H2,1H3,(H,9,10)


name: Trifluralin
cas: 1582-09-8
chebiid: CHEBI:35027
chemspiderid: 5368
dtxsid: DTXSID4021395
formula: C13H16F3N3O4
inchikey: ZSDSQXJSNMTJDA-UHFFFAOYSA-N
norman_susdat_id: NS00008982
pubchem_cid: 5569
smiles: CCCN(CCC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
eea_notation: CAS_1582-09-8
inchi:
InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3


name: Imolamine hydrochloride
cas: 15823-89-9
formula: C14H20N4O.ClH
inchikey: OMMBWIJMWMSGBX-UHFFFAOYSA-N
norman_susdat_id: NS00087551
smiles: Cl.CCN(CC)CCN1C(=N)ON=C1c2ccccc2
inchi:
InChI=1/C14H20N4O.ClH/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;1H


name: Fentrazamide
cas: 158237-07-1
chebiid: CHEBI:81791
chemspiderid: 2338981
dtxsid: DTXSID8057988
formula: C16H20Cl1N5O2
inchikey: LLQPHQFNMLZJMP-UHFFFAOYSA-N
norman_susdat_id: NS00015275
pubchem_cid: 3081363
smiles: CCN(C1CCCCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Cl
inchi:
InChI=1S/C16H20ClN5O2/c1-2-20(12-8-4-3-5-9-12)15(23)22-16(24)21(18-19-22)14-11-7-6-10-13(14)17/h6-7,10-12H,2-5,8-9H2,1H3


name: 4-[(6-hydroxy-5-nitro-m-tolyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
cas: 15824-23-4
formula: C17H16N5O4
inchikey: KWJWDVPQMWEOCJ-UHFFFAOYSA-N
norman_susdat_id: NS00053592
pubchem_cid: 85912
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])C)C=3C=CC=CC3
inchi:
InChI=1/C17H15N5O4/c1-10-8-13(16(23)14(9-10)22(25)26)18-19-15-11(2)20-21(17(15)24)12-6-4-3-5-7-12/h3-9,15,23H,1-2H3


name: Mannitol hexanitrate
cas: 15825-70-4
chebiid: CHEBI:135734
dtxsid: DTXSID8065953
formula: C6H14N6O18
inchikey: DGMJZELBSFOPHH-KVTDHHQDSA-N
norman_susdat_id: NS00054885
pubchem_cid: 61818
smiles: O=[N+]([O-])OCC(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])C(O[N+](=O)[O-])CO[N+](=O)[O-]
inchi:
InChI=1/C6H8N6O18/c13-7(14)25-1-3(27-9(17)18)5(29-11(21)22)6(30-12(23)24)4(28-10(19)20)2-26-8(15)16/h3-6H,1-2H2


name: 2-(Dodecyloxy)ethyl sodium sulfate
cas: 15826-16-1
dtxsid: DTXSID70274019
formula: C14H30O5S.Na
inchikey: ASEFUFIKYOCPIJ-UHFFFAOYSA-M
norman_susdat_id: NS00087553
smiles: [Na+].CCCCCCCCCCCCOCCOS(=O)(=O)[O-]
inchi:
InChI=1/C14H30O5S.Na/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);/q;+1/p-1


name: Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-
cas: 15827-60-8
chemspiderid: 76777
dtxsid: DTXSID0027775
formula: C9H28N3O15P5
inchikey: DUYCTCQXNHFCSJ-UHFFFAOYSA-N
norman_susdat_id: NS00004368
pubchem_cid: 85128
smiles: OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)


name: (Z)-N-[2-(1-piperazinyl)ethyl]-9-octadecenamide
cas: 15829-24-0
formula: C24H47N3O
inchikey: SPLYNJJTDYSFQK-KTKRTIGZSA-N
norman_susdat_id: NS00053593
pubchem_cid: 6436429
smiles: O=C(NCCN1CCNCC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)26-20-23-27-21-18-25-19-22-27/h9-10,25H,2-8,11-23H2,1H3,(H,26,28)


name: 9,10-Anthracenedione, 1,4-bis[(2-phenylethyl)amino]-
cas: 15830-97-4
chemspiderid: 76778
dtxsid: DTXSID8065955
formula: C30H26N2O2
inchikey: AOJCELGWFFJVFH-UHFFFAOYSA-N
norman_susdat_id: NS00025144
pubchem_cid: 85130
smiles: O=C1c2c(cccc2)C(=O)c2c1c(NCCc1ccccc1)ccc2NCCc1ccccc1
inchi:
InChI=1S/C30H26N2O2/c33-29-23-13-7-8-14-24(23)30(34)28-26(32-20-18-22-11-5-2-6-12-22)16-15-25(27(28)29)31-19-17-21-9-3-1-4-10-21/h1-16,31-32H,17-20H2


name: Pentaerythritol tetrapentanoate
cas: 15834-04-5
chemspiderid: 76779
dtxsid: DTXSID20893259
formula: C25H44O8
inchikey: ZQYCVIGMGPFQQS-UHFFFAOYSA-N
norman_susdat_id: NS00005043
pubchem_cid: 85131
smiles: CCCCC(=O)OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC
inchi:
InChI=1S/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3


name: 2,2-dimethylpropane-1,3-diyl dinonanoate
cas: 15834-05-6
dtxsid: DTXSID00864644
formula: C23H44O4
inchikey: AHSZBZTYLKTYJI-UHFFFAOYSA-N
norman_susdat_id: NS00054901
pubchem_cid: 85132
smiles: O=C(OCC(C)(C)COC(=O)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C23H44O4/c1-5-7-9-11-13-15-17-21(24)26-19-23(3,4)20-27-22(25)18-16-14-12-10-8-6-2/h5-20H2,1-4H3


name: 2-Ethyl-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate
cas: 15834-06-7
chemspiderid: 76781
dtxsid: DTXSID10166404
formula: C31H58O6
inchikey: WISHAYXBCWYEPX-UHFFFAOYSA-N
norman_susdat_id: NS00025145
pubchem_cid: 85133
smiles: CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCCCC
inchi:
InChI=1S/C31H58O6/c1-5-9-12-15-17-20-23-29(33)36-26-31(8-4,25-35-28(32)22-19-14-11-7-3)27-37-30(34)24-21-18-16-13-10-6-2/h5-27H2,1-4H3


name: Canfosfamide
cas: 158382-37-7
chebiid: CHEBI:135883
dtxsid: DTXSID40166412
formula: C26H40Cl4N5O10PS
inchikey: OJLHWPALWODJPQ-QNWVGRARSA-N
norman_susdat_id: NS00073015
pubchem_cid: 5312109
inchi:
InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1

smiles:
N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O


name: Guanosine 5'-diphospho-ÃŸ-L-fucose
cas: 15839-70-0
chebiid: CHEBI:13332
chemspiderid: 388350
formula: C16H25N5O15P2
inchikey: LQEBEXMHBLQMDB-JGQUBWHWSA-N
norman_susdat_id: NS00015236
pubchem_cid: 10918995
smiles: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O
inchi:
InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1


name: 2-bromo-4'-chloro-2'-(o-fluorobenzoyl)acetanilide
cas: 1584-62-9
dtxsid: DTXSID7057656
formula: C15H10BrClFNO2
inchikey: WUZSFIKFFXBHMB-UHFFFAOYSA-N
norman_susdat_id: NS00048683
pubchem_cid: 74106
smiles: O=C(C=1C=CC=CC1F)C2=CC(Cl)=CC=C2NC(=O)CBr
inchi:
InChI=1/C15H10BrClFNO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)


name: Zirconium stearate
cas: 15844-92-5
formula: C18H36O2.xZr
inchikey: RYVJBRRWKMRXAV-UHFFFAOYSA-L
norman_susdat_id: NS00087037
smiles: [Zr+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Zr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Irofulven
cas: 158440-71-2
chebiid: CHEBI:135002
dtxsid: DTXSID50166423
formula: C15H18O3
inchikey: NICJCIQSJJKZAH-AWEZNQCLSA-N
norman_susdat_id: NS00069566
pubchem_cid: 148189
smiles: CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
inchi:
InChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1


name: Diflucortolone pivalate
cas: 15845-96-2
chemspiderid: 59756
dtxsid: DTXSID70166425
formula: C27H36F2O5
inchikey: UWGRWFCLGQWKPR-GSTUPEFVSA-N
norman_susdat_id: NS00015403
pubchem_cid: 66381
smiles: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)F)C)F
inchi:
InChI=1S/C27H36F2O5/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-26(18,6)27(17,29)21(32)12-25(16,5)22(14)20(31)13-34-23(33)24(2,3)4/h7-8,10,14,16-17,19,21-22,32H,9,11-13H2,1-6H3/t14-,16+,17+,19+,21+,22-,25+,26+,27+/m1/s1


name: 1-(4-phenylpiperidin-4-yl)butan-1-one hydrochloride
cas: 15847-65-1
dtxsid: DTXSID10166429
formula: C15H21NO
inchikey: SABJIJOJSHRGSB-UHFFFAOYSA-N
norman_susdat_id: NS00053594
pubchem_cid: 414350
smiles: Cl.O=C(CCC)C1(C=2C=CC=CC2)CCNCC1
inchi:
InChI=1/C15H21NO.ClH/c1-2-6-14(17)15(9-11-16-12-10-15)13-7-4-3-5-8-13;/h3-5,7-8,16H,2,6,9-12H2,1H3;1H


name: Benzenepentacarboxylate
cas: 1585-40-6
chemspiderid: 14577
dtxsid: DTXSID80166436
formula: C11H6O10
inchikey: QNSOHXTZPUMONC-UHFFFAOYSA-N
norman_susdat_id: NS00025156
pubchem_cid: 15314
smiles: OC(=O)c1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
inchi:
InChI=1S/C11H6O10/c12-7(13)2-1-3(8(14)15)5(10(18)19)6(11(20)21)4(2)9(16)17/h1H,(H,12,13)(H,14,15)(H,16,17)(H,18,19)(H,20,21)


name: Benzyltriphenylphosphonium
cas: 15853-35-7
formula: C25H22P
inchikey: BNQRPLGZFADFGA-UHFFFAOYSA-N
norman_susdat_id: NS00087066
smiles: C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1


name: (Z,Z)-dibutylbis[(3-propoxycarbonylacryloyl)oxy]stannane
cas: 15853-77-7
dtxsid: DTXSID8065959
formula: C22H36O8Sn
inchikey: KCEFGNYUOUUPFP-VGKOASNMSA-L
norman_susdat_id: NS00053640
pubchem_cid: 73307682
smiles: O=C(OCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCC)(CCCC)CCCC
inchi:
InChI=1/2C7H10O4.2C4H9.Sn/c2*1-2-5-11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-4H,2,5H2,1H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O8Sn/c1-5-9-17-31(18-10-6-2,29-21(25)13-11-19(23)27-15-7-3)30-22(26)14-12-20(24)28-16-8-4/h11-14H,5-10,15-18H2,1-4H3


name: 2-amino-6-[6-(2-methoxyethoxy)hexanamido]hexanoic acid
cas: 1585984-95-7
formula: C15H30N2O5
inchikey: NPOCDVAOUKODSQ-ZDUSSCGKSA-N
norman_susdat_id: NS00073627
pubchem_cid: 86278362
smiles: COCCOCCCCCC(=O)NCCCC[C@H](N)C(=O)O
inchi:
InChI=1S/C15H30N2O5/c1-21-11-12-22-10-6-2-3-8-14(18)17-9-5-4-7-13(16)15(19)20/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1


name: Ethoxydiethylaluminium
cas: 1586-92-1
formula: C6H15AlO
inchikey: GCPCLEKQVMKXJM-UHFFFAOYSA-N
norman_susdat_id: NS00082536
smiles: CCO[Al](CC)CC
inchi:
InChI=1/C2H5O.2C2H5.Al/c1-2-3;2*1-2;/h2H2,1H3;2*1H2,2H3;/q-1;;;+1/rC6H15AlO/c1-4-7(5-2)8-6-3/h4-6H2,1-3H3


name: Cyclohexylammonium palmitate
cas: 15860-19-2
formula: C16H32O2.C6H13N
inchikey: PYFKOTYFBXTKMQ-UHFFFAOYSA-N
norman_susdat_id: NS00087016
smiles: CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1
inchi:
InChI=1/C16H32O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;7-6-4-2-1-3-5-6/h2-15H2,1H3,(H,17,18);6H,1-5,7H2


name: Cyclohexylammonium stearate
cas: 15860-21-6
formula: C18H36O2.C6H13N
inchikey: DBKKYJPKNUNYFA-UHFFFAOYSA-N
norman_susdat_id: NS00087017
smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].[NH3+]C1CCCCC1
inchi:
InChI=1/C18H36O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-6-4-2-1-3-5-6/h2-17H2,1H3,(H,19,20);6H,1-5,7H2


name: 4-nonyl-2,6-bis(1-phenylethyl)phenol
cas: 15860-96-5
dtxsid: DTXSID20864646
formula: C31H40O
inchikey: WOSYWGAMXWGRBI-UHFFFAOYSA-N
norman_susdat_id: NS00053642
pubchem_cid: 85922
smiles: OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)CCCCCCCCC)C(C=3C=CC=CC3)C
inchi:
InChI=1/C31H40O/c1-4-5-6-7-8-9-12-17-26-22-29(24(2)27-18-13-10-14-19-27)31(32)30(23-26)25(3)28-20-15-11-16-21-28/h10-11,13-16,18-25,32H,4-9,12,17H2,1-3H3


name: Ethyl perfluorododecanoate
cas: 158607-41-1
dtxsid: DTXSID20371921
formula: C14H5F23O2
inchikey: UQZFWRDNDBASDI-UHFFFAOYSA-N
norman_susdat_id: NS00109503
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)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H5F23O2/c1-2-39-3(38)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)13(33,34)14(35,36)37/h2H2,1H3


cas: 158658-62-9
dtxsid: DTXSID00893358
formula: C21H20F17IN2O3S
inchikey: JHIIGTLQSATSSP-UHFFFAOYSA-M
norman_susdat_id: NS00108939
name:
Trimethyl{3-{4-[perfluoro-4-methyl-3-(propan-2-yl)pent-2-en-2-oxy]phenylsulfonylamino}propyl}ammonium iodide

inchi:
InChI=1S/C21H20F17N2O3S.HI/c1-40(2,3)10-4-9-39-44(41,42)12-7-5-11(6-8-12)43-14(17(24,25)26)13(15(22,18(27,28)29)19(30,31)32)16(23,20(33,34)35)21(36,37)38;/h5-8,39H,4,9-10H2,1-3H3;1H/q+1;/p-1

smiles:
[I-].C[N+](C)(C)CCCNS(=O)(=O)C1=CC=C(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C=C1


name: 2,4-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 15866-36-1
formula: C16H13N5O4
inchikey: ULPPOWQPJBUQOF-UHFFFAOYSA-N
norman_susdat_id: NS00087018
smiles: [O-][N+](=O)c3ccc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c3
inchi:
InChI=1/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22/h2-9,15,22H,1H3


name: Incyclinide
cas: 15866-90-7
formula: C19H17NO7
inchikey: ZXFCRFYULUUSDW-OWXODZSWSA-N
norman_susdat_id: NS00068709
smiles: NC(=O)C1=C(O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C1=O
inchi:
InChI=1S/C19H17NO7/c20-18(26)14-11(22)6-9-5-8-4-7-2-1-3-10(21)12(7)15(23)13(8)16(24)19(9,27)17(14)25/h1-3,8-9,21-22,24,27H,4-6H2,(H2,20,26)/t8-,9-,19-/m0/s1


name: Rimonabant hydrochloride
cas: 158681-13-1
dtxsid: DTXSID20166495
formula: C22H22Cl4N4O
inchikey: REOYOKXLUFHOBV-UHFFFAOYSA-N
norman_susdat_id: NS00076206
smiles: Cl.CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1
inchi:
InChI=1S/C22H21Cl3N4O.ClH/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15;/h5-10,13H,2-4,11-12H2,1H3,(H,27,30);1H


name: Aescin IIa
cas: 158732-55-9
chemspiderid: 10079858
formula: C54H84O23
inchikey: MLLNRQWNTKNRGQ-XRANQTOGSA-N
norman_susdat_id: NS00093696
pubchem_cid: 8255396
smiles:
C/C=C(C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C


name: Antimony tris[O,O-dipropyl] tris(dithiophosphate)
cas: 15874-48-3
formula: C6H15O2PS2.1/3Sb
inchikey: LJFZXKPXORQNRR-UHFFFAOYSA-K
norman_susdat_id: NS00087592
smiles: CCCOP(=S)(OCCC)S[Sb](SP(=S)(OCCC)OCCC)SP(=S)(OCCC)OCCC
inchi:
InChI=1/3C6H15O2PS2.Sb/c3*1-3-5-7-9(10,11)8-6-4-2;/h3*3-6H2,1-2H3,(H,10,11);/q;;;+3/p-3/rC18H42O6P3S6Sb/c1-7-13-19-25(28,20-14-8-2)31-34(32-26(29,21-15-9-3)22-16-10-4)33-27(30,23-17-11-5)24-18-12-6/h7-18H2,1-6H3


name: Antimony tris[O,O-bis(2-ethylhexyl)] tris(dithiophosphate)
cas: 15874-52-9
formula: C16H35O2PS2.1/3Sb
inchikey: HWFCBJDGOMEJGH-UHFFFAOYSA-K
norman_susdat_id: NS00086632
smiles: CCCCC(CC)COP(=S)(OCC(CC)CCCC)S[Sb](SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC)SP(=S)(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1/3C16H35O2PS2.Sb/c3*1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,20,21);/q;;;+3/p-3/rC48H102O6P3S6Sb/c1-13-25-31-43(19-7)37-49-55(58,50-38-44(20-8)32-26-14-2)61-64(62-56(59,51-39-45(21-9)33-27-15-3)52-40-46(22-10)34-28-16-4)63-57(60,53-41-47(23-11)35-29-17-5)54-42-48(24-12)36-30-18-6/h43-48H,13-42H2,1-12H3


name: Frovatriptan
cas: 158747-02-5
chebiid: CHEBI:134991
chemspiderid: 70378
dtxsid: DTXSID0023080
formula: C14H17N3O1
inchikey: XPSQPHWEGNHMSK-SECBINFHSA-N
norman_susdat_id: NS00007851
pubchem_cid: 77992
smiles: CN[C@@H]1CCc2[nH]c3ccc(cc3c2C1)C(N)=O
inchi:
InChI=1S/C14H17N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18)/t9-/m1/s1


name: [3-hydroxy-4-[(4-sulpho-1-naphthyl)azo]naphthalene-2,7-disulphonato(3-)]aluminium
cas: 15876-44-5
formula: C20H11AlN2O10S3
inchikey: VGVCYVQGAQCIRY-UHFFFAOYSA-K
norman_susdat_id: NS00087028
smiles: Oc1c2N=Nc3ccc(c4ccccc34)S(=O)(=O)O[Al]5OS(=O)(=O)c6ccc2c(c6)cc1S(=O)(=O)O5
inchi:
InChI=1/C20H14N2O10S3.Al/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/rC20H11AlN2O10S3/c24-20-18-10-11-9-12-5-6-13(11)19(20)23-22-16-7-8-17(15-4-2-1-3-14(15)16)35(27,28)32-21(31-34(12,25)26)33-36(18,29)30/h1-10,24H


name: [7-hydroxy-8-[(4-sulpho-1-naphthyl)azo]naphthalene-1,3-disulphonato(3-)]aluminium
cas: 15876-47-8
formula: C20H11AlN2O10S3
inchikey: IKAWITRVXKMFGN-UHFFFAOYSA-K
norman_susdat_id: NS00087029
smiles: Oc1ccc2c3cc4cc2c1N=Nc5ccc(c6ccccc56)S(=O)(=O)O[Al](OS4(=O)=O)OS3(=O)=O
inchi:
InChI=1/C20H14N2O10S3.Al/c23-17-7-5-14-15(9-11(33(24,25)26)10-19(14)35(30,31)32)20(17)22-21-16-6-8-18(34(27,28)29)13-4-2-1-3-12(13)16;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);/q;+3/p-3/rC20H11AlN2O10S3/c24-17-7-5-14-15-9-11-10-19(14)36(29,30)33-21(31-34(11,25)26)32-35(27,28)18-8-6-16(22-23-20(15)17)12-3-1-2-4-13(12)18/h1-10,24H


name: Tris[4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonato]aluminium
cas: 15876-51-4
formula: C48H33AlN6O12S3
inchikey: KDQIVALLEAQRLG-UHFFFAOYSA-K
norman_susdat_id: NS00087030
inchi:
InChI=1/3C16H12N2O4S.Al/c3*19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22;/h3*1-10,19H,(H,20,21,22);/q;;;+3/p-3/rC48H33AlN6O12S3/c56-43-28-13-31-7-1-4-10-40(31)46(43)53-50-34-16-22-37(23-17-34)68(59,60)65-49(66-69(61,62)38-24-18-35(19-25-38)51-54-47-41-11-5-2-8-32(41)14-29-44(47)57)67-70(63,64)39-26-20-36(21-27-39)52-55-48-42-12-6-3-9-33(42)15-30-45(48)58/h1-30,56-58H

smiles:
Oc1ccc2ccccc2c1N=Nc3ccc(cc3)S(=O)(=O)O[Al](OS(=O)(=O)c4ccc(cc4)N=Nc5c(O)ccc6ccccc56)OS(=O)(=O)c7ccc(cc7)N=Nc8c(O)ccc9ccccc89


name: Distigmine
cas: 15876-67-2
chebiid: CHEBI:80756
chemspiderid: 3004
dtxsid: DTXSID00169484
formula: C22H32N4O4
inchikey: AHZBEVXBKNYXPU-UHFFFAOYSA-N
norman_susdat_id: NS00006683
pubchem_cid: 3116
smiles: CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1
inchi:
InChI=1S/C22H32N4O4/c1-23-13-9-11-19(17-23)29-21(27)25(3)15-7-5-6-8-16-26(4)22(28)30-20-12-10-14-24(2)18-20/h9-14,17-18H,5-8,15-16H2,1-4H3/q+2


name: Chloralose
cas: 15879-93-3
chebiid: CHEBI:81902
chemspiderid: 25616
dtxsid: DTXSID4020088
formula: C8H11Cl3O6
inchikey: OJYGBLRPYBAHRT-OPKHMCHVSA-N
norman_susdat_id: NS00002349
pubchem_cid: 27525
smiles: OCC(O)[C@H]1OC2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl
inchi:
InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1


name: 1,1,3,3-tetrabutyl-1,3-bis[(1-oxododecyl)oxy]distannathiane
cas: 15880-66-7
dtxsid: DTXSID50166529
formula: C40H82O4SSn2
inchikey: ZBBCKXXEEYFMAC-UHFFFAOYSA-L
norman_susdat_id: NS00054948
pubchem_cid: 16684019
smiles: O=C(O[Sn](S[Sn](OC(=O)CCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.4C4H9.S.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;4*1-3-4-2;;;/h2*2-11H2,1H3,(H,13,14);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC40H82O4SSn2/c1-7-13-19-21-23-25-27-29-31-33-39(41)43-46(35-15-9-3,36-16-10-4)45-47(37-17-11-5,38-18-12-6)44-40(42)34-32-30-28-26-24-22-20-14-8-2/h7-38H2,1-6H3


name: Aescin IIb
cas: 158800-83-0
chemspiderid: 10260627
formula: C54H84O23
inchikey: MLLNRQWNTKNRGQ-GJSMMZDWSA-N
norman_susdat_id: NS00093697
pubchem_cid: 8436107
smiles:
C/C=C(/C)C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C


name: 2',6'-Pipecoloxylidide, (+)-
cas: 15883-20-2
chebiid: CHEBI:173673
chemspiderid: 103144
dtxsid: DTXSID10181713
formula: C14H20N2O1
inchikey: SILRCGDPZGQJOQ-UHFFFAOYSA-N
norman_susdat_id: NS00009165
pubchem_cid: 115282
smiles: Cc1cccc(C)c1NC(=O)C1CCCCN1
inchi:
InChI=1S/C14H20N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h5-7,12,15H,3-4,8-9H2,1-2H3,(H,16,17)


name: Sodium 4,4'-dinitrostilbene-2,2'-disulphonate
cas: 15883-59-7
formula: C14H10N2O10S2.xNa
inchikey: SDCDTWFAOKXZHD-SEPHDYHBSA-L
norman_susdat_id: NS00087108
smiles: [Na+].[Na+].[O-][N+](=O)c1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H10N2O10S2.2Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;;/h1-8H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 1-Methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-yl nonafluorobutane-1-sulfonate
cas: 1588522-06-8
dtxsid: DTXSID10896279
formula: C16H10F9N3O3S
inchikey: AYQOWJCWAQIBSR-UHFFFAOYSA-N
norman_susdat_id: NS00109406
smiles: Cc1nnc2CC=C(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3ccccc3-n12
inchi:
InChI=1S/C16H10F9N3O3S/c1-8-26-27-12-7-6-11(9-4-2-3-5-10(9)28(8)12)31-32(29,30)16(24,25)14(19,20)13(17,18)15(21,22)23/h2-6H,7H2,1H3


name: Rupatadine
cas: 158876-82-5
chebiid: CHEBI:135673
chemspiderid: 117388
dtxsid: DTXSID00166534
formula: C26H26Cl1N3
inchikey: WUZYKBABMWJHDL-UHFFFAOYSA-N
norman_susdat_id: NS00009972
pubchem_cid: 133017
smiles: Cc1cncc(CN2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)c1
inchi:
InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3


name: 5'-acetyl-2',3'-isopropylenadenosine
cas: 15888-38-7
dtxsid: DTXSID20936014
formula: C15H19N5O5
inchikey: AGPPMENETHBDES-UHFFFAOYSA-N
norman_susdat_id: NS00054090
pubchem_cid: 259796
smiles: O=C(OCC1OC(N2C=NC=3C(=NC=NC32)N)C4OC(OC14)(C)C)C
inchi:
InChI=1/C15H19N5O5/c1-7(21)22-4-8-10-11(25-15(2,3)24-10)14(23-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14H,4H2,1-3H3,(H2,16,17,18)


name: Benzylbromomagnesium
cas: 1589-82-8
formula: C7H7BrMg
inchikey: UHPSYHZSDNXIHK-UHFFFAOYSA-M
norman_susdat_id: NS00083253
smiles: Br[Mg]Cc1ccccc1
inchi:
InChI=1/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7BrMg/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2


name: Lauric acid, compound with cyclohexylamine (1:1)
cas: 15890-18-3
formula: C12H24O2.C6H13N
inchikey: BHYTYRNNCQSTCG-UHFFFAOYSA-N
norman_susdat_id: NS00087624
smiles: CCCCCCCCCCCC(=O)O.NC1CCCCC1
inchi:
InChI=1/C12H24O2.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-6-4-2-1-3-5-6/h2-11H2,1H3,(H,13,14);6H,1-5,7H2


name: N-D-gluconoyl-L-leucine
cas: 15893-50-2
formula: C12H23NO8
inchikey: ODWILBCFLAFDSM-UHFFFAOYSA-N
norman_susdat_id: NS00054543
pubchem_cid: 3893142
smiles: O=C(O)C(NC(=O)C(O)C(O)C(O)C(O)CO)CC(C)C
inchi:
InChI=1/C12H23NO8/c1-5(2)3-6(12(20)21)13-11(19)10(18)9(17)8(16)7(15)4-14/h5-10,14-18H,3-4H2,1-2H3,(H,13,19)(H,20,21)


name: Montelukast
cas: 158966-92-8
chebiid: CHEBI:50730
chemspiderid: 4444507
dtxsid: DTXSID9023334
formula: C35H36Cl1N1O3S1
inchikey: UCHDWCPVSPXUMX-TZIWLTJVSA-N
norman_susdat_id: NS00001064
pubchem_cid: 5281040
smiles: CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
inchi:
InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1


name: C-8 Ceramide-1-phosphate
cas: 158983-53-0
chebiid: CHEBI:85881
chemspiderid: 9039378
formula: C26H52N1O6P1
inchikey: VSSNYUXSRXINIP-WRBRXSDHSA-N
norman_susdat_id: NS00016773
pubchem_cid: 10864091
smiles: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCC)O
inchi:
InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1


name: Perfluoro-6-methylheptanecarboxylic acid
cas: 15899-31-7
chemspiderid: 76816
dtxsid: DTXSID2065969
formula: C9H1F17O2
inchikey: WIXVASFEKZIRFM-UHFFFAOYSA-N
norman_susdat_id: NS00011265
pubchem_cid: 85176
smiles: O=C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
inchi:
InChI=1S/C9HF17O2/c10-2(11,1(27)28)4(13,14)6(17,18)7(19,20)5(15,16)3(12,8(21,22)23)9(24,25)26/h(H,27,28)


name: (a-methylphenethyl)(1-methyl-2-phenoxyethyl)ammonium hydrogen fumarate
cas: 1590-35-8
formula: C18H23NO
inchikey: PVNHTDOWUIYZFC-WLHGVMLRSA-M
norman_susdat_id: NS00048687
pubchem_cid: 71879
smiles: O=C([O-])C=CC(=O)[O-].O(C=1C=CC=CC1)CC(C)[NH2+]C(C)CC=2C=CC=CC2
inchi:
InChI=1/C18H23NO.C4H4O4/c1-15(13-17-9-5-3-6-10-17)19-16(2)14-20-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h3-12,15-16,19H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1


name: (4-(Hexadecylsulphonyl)phenyl)hydrazine
cas: 1590-67-6
chemspiderid: 66734
dtxsid: DTXSID80166557
formula: C22H40N2O2S1
inchikey: CQXBNGQFWUTDKW-UHFFFAOYSA-N
norman_susdat_id: NS00025179
pubchem_cid: 74121
smiles: CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)cc1
inchi:
InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(25,26)22-18-16-21(24-23)17-19-22/h16-19,24H,2-15,20,23H2,1H3


cas: 15900-11-5
dtxsid: DTXSID20936034
formula: C21H18N4O2
inchikey: DFSHSSAUZJFPSK-UHFFFAOYSA-N
norman_susdat_id: NS00054128
pubchem_cid: 85930
smiles: O=C1C(=CC=2C(=O)N(NC2C)C=3C=CC=CC3)C(=NN1C=4C=CC=CC4)C
name:
4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-1,2-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one

inchi:
InChI=1/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,22H,1-2H3


name: 20-Hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl laurate
cas: 15901-19-6
chemspiderid: 76817
dtxsid: DTXSID10166560
formula: C26H52O9
inchikey: BQQKPNOCOGNCFY-UHFFFAOYSA-N
norman_susdat_id: NS00017716
pubchem_cid: 85177
smiles: CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C26H52O9/c1-2-3-4-5-6-7-8-9-10-11-26(28)35-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-12-27/h27H,2-25H2,1H3


name: N,N',N''-tricyclohexyl-1-methylsilanetriamine
cas: 15901-40-3
dtxsid: DTXSID2044842
formula: C19H39N3Si
inchikey: HDNXAGOHLKHJOA-UHFFFAOYSA-N
norman_susdat_id: NS00054609
pubchem_cid: 85178
smiles: N(C1CCCCC1)[Si](NC2CCCCC2)(NC3CCCCC3)C
inchi:
InChI=1/C19H39N3Si/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h17-22H,2-16H2,1H3


cas: 159010-67-0
inchikey: SGWZPWHKXAFJNY-UHFFFAOYSA-N
norman_susdat_id: NS00077768
name:
(Benzyloxycarbonyl)methyl 3-[5-acetamido-4-(2-chloro-4,6-dinitrophenylazo)-2-methoxyanilino] propionate

smiles:
C(C)(=O)NC=1C(=CC(=C(C1)N(CC(C(=O)O)=O)CCOCC1=CC=CC=C1)OC)N=NC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl


name: 6-tert-butyl-7-chloro-3-tridecyl-7,7a-dihydro-1H-pyrazolo[5,1-c]-1,2,4-triazole
cas: 159038-16-1
chemspiderid: 57513752
formula: C21H39Cl1N4
inchikey: YTPDCGOWYZCEPJ-UHFFFAOYSA-N
norman_susdat_id: NS00009253
pubchem_cid: 57495051
smiles: CCCCCCCCCCCCCC1=NNC2C(Cl)C(=NN12)C(C)(C)C
inchi:
InChI=1S/C21H39ClN4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23-24-20-18(22)19(21(2,3)4)25-26(17)20/h18,20,24H,5-16H2,1-4H3


name: Erythrosin B
cas: 15905-32-5
chemspiderid: NA
dtxsid: DTXSID7044843
formula: C20H10I4O6
inchikey: OJJIOLFPTQEGSU-UHFFFAOYSA-N
norman_susdat_id: NS00008421
pubchem_cid: NA
smiles: OC(=O)c1ccccc1C1(O)c2cc(I)c(O)c(I)c2Oc2c(I)c(O)c(I)cc12
inchi:
InChI=1S/C20H10I4O6/c21-11-5-9-17(13(23)15(11)25)30-18-10(6-12(22)16(26)14(18)24)20(9,29)8-4-2-1-3-7(8)19(27)28/h1-6,25-26,29H,(H,27,28)


name: Lead benzoate
cas: 15907-04-7
formula: C7H6O2.xPb
inchikey: KRJUSWXDFZSJQD-UHFFFAOYSA-N
norman_susdat_id: NS00087098
smiles: [Pb].OC(=O)C\1=C\C=C/C=C/1
inchi:
InChI=1/C7H6O2.Pb.2H/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H,(H,8,9);;;/q;+4;;/rC7H6O2.H2Pb/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H2/q;+4


name: Stearic acid, chromium salt
cas: 15907-14-9
formula: C18H36O2.xCr
inchikey: PIVKSRMGWUHEEE-UHFFFAOYSA-M
norman_susdat_id: NS00087359
smiles: [Cr+2].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1


name: 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
cas: 15909-94-1
chemspiderid: 2298748
dtxsid: DTXSID6065971
formula: C9H6N4O4S1
inchikey: LXGZJSKVCIUYMT-UHFFFAOYSA-N
norman_susdat_id: NS00025180
pubchem_cid: 3034253
smiles: OC(=O)c1cc(cc(c1)n1[nH]nnc1=S)C(=O)O
inchi:
InChI=1S/C9H6N4O4S/c14-7(15)4-1-5(8(16)17)3-6(2-4)13-9(18)10-11-12-13/h1-3H,(H,14,15)(H,16,17)(H,10,12,18)


name: Triphenylpropylphosphonium
cas: 15912-75-1
formula: C21H22P
inchikey: MSXNDXIAUQJHNS-UHFFFAOYSA-N
norman_susdat_id: NS00087899
smiles: CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H22P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1


name: Glucose 6-(calcium phosphate)
cas: 15912-94-4
formula: C6H13O9P.Ca
inchikey: BKIJLUBQMDRPKY-UHFFFAOYSA-L
norman_susdat_id: NS00087900
smiles: OC1OC(COP2(=O)O[Ca]O2)C(O)C(O)C1O
inchi:
InChI=1/C6H13O9P.Ca/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11CaO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2


name: Cariporide
cas: 159138-80-4
dtxsid: DTXSID8047345
formula: C12H17N3O3S
inchikey: IWXNYAIICFKCTM-UHFFFAOYSA-N
norman_susdat_id: NS00070850
pubchem_cid: 151172
smiles: CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
inchi:
InChI=1S/C12H17N3O3S/c1-7(2)9-5-4-8(11(16)15-12(13)14)6-10(9)19(3,17)18/h4-7H,1-3H3,(H4,13,14,15,16)


name: 5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-2-methyldecan-2-ol
cas: 159142-65-1
dtxsid: DTXSID30895441
formula: C11H11F13O
inchikey: JFTPFVPCFXEYSQ-UHFFFAOYSA-N
norman_susdat_id: NS00110031
smiles: CC(C)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H11F13O/c1-5(2,25)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h25H,3-4H2,1-2H3


cas: 159168-82-8
norman_susdat_id: NS00113373
name:
4,4-Methylenediphenyl diisocyanate, oligomeric reaction products with 2,4-diisocyanatodiphenylmethane, [(methylethylene)bis(oxy)]dipropanol and oxydipropanol


name: Aristolochic acid IV
cas: 15918-62-4
chemspiderid: 146529
dtxsid: DTXSID30166603
formula: C18H13NO8
inchikey: GYBINMVKWZEICQ-UHFFFAOYSA-N
norman_susdat_id: NS00094664
pubchem_cid: 167493
smiles: COC1=CC2=C3C4=C(OCO4)C=C(C(O)=O)C3=C(C=C2C(OC)=C1)[N+]([O-])=O
inchi:
InChI=1S/C18H13NO8/c1-24-8-3-10-9(13(4-8)25-2)5-12(19(22)23)15-11(18(20)21)6-14-17(16(10)15)27-7-26-14/h3-6H,7H2,1-2H3,(H,20,21)


name: Calcium distearate
cas: 1592-23-0
formula: C18H36O2.1/2Ca
inchikey: CJZGTCYPCWQAJB-UHFFFAOYSA-L
norman_susdat_id: NS00082563
smiles: [Ca+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: 2',3'-O-(isopropylidene)uridine 5'-acetate
cas: 15922-23-3
dtxsid: DTXSID40936076
formula: C14H18N2O7
inchikey: MDLYKUIFEHJVJD-UHFFFAOYSA-N
norman_susdat_id: NS00054612
pubchem_cid: 3652569
smiles: O=C(OCC1OC(N2C=CC(=O)NC2=O)C3OC(OC13)(C)C)C
inchi:
InChI=1/C14H18N2O7/c1-7(17)20-6-8-10-11(23-14(2,3)22-10)12(21-8)16-5-4-9(18)15-13(16)19/h4-5,8,10-12H,6H2,1-3H3,(H,15,18,19)


name: AGN-PC-0MVG3R
cas: 159276-62-7
chemspiderid: 8080509
dtxsid: DTXSID00432660
formula: C16H18F2O4
inchikey: ICXSWEPRNMGYGO-UHFFFAOYSA-N
norman_susdat_id: NS00006158
pubchem_cid: 9904855
smiles: CCOC(=O)C(CC(=C)c1ccc(F)cc1F)C(=O)OCC
inchi:
InChI=1S/C16H18F2O4/c1-4-21-15(19)13(16(20)22-5-2)8-10(3)12-7-6-11(17)9-14(12)18/h6-7,9,13H,3-5,8H2,1-2H3


name: 4-[benzyl(methyl)amino]-2-chloro-5-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 15928-94-6
formula: C15H15ClN3O
inchikey: BJXDNJABNOCABA-UHFFFAOYSA-J
norman_susdat_id: NS00055486
pubchem_cid: NA
inchi:
InChI=1/2C15H15ClN3O.4ClH.Zn/c2*1-19(10-11-6-4-3-5-7-11)14-8-12(16)13(18-17)9-15(14)20-2;;;;;/h2*3-9H,10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H15ClN3O.Cl4Zn/c2*1-19(10-11-6-4-3-5-7-11)14-8-12(16)13(18-17)9-15(14)20-2;1-5(2,3)4/h2*3-9H,10H2,1-2H3;/q2*+1;-2

smiles:
N#[N+]C=1C=C(OC)C(=CC1Cl)N(C)CC=2C=CC=CC2.N#[N+]C=1C=C(OC)C(=CC1Cl)N(C)CC=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: (2alpha,3alpha,8xi,9xi,14xi,16beta)-16-(Pyrrolidin-1-yl)-2,3-epoxyandrostan-17-one
cas: 159325-45-8
chemspiderid: 17223446
dtxsid: DTXSID60717849
formula: C23H35N1O2
inchikey: ZZMJTNMGPPBIOY-UHFFFAOYSA-N
norman_susdat_id: NS00005297
pubchem_cid: 23358880
smiles: CC12CCC3C(CCC4CC5OC5CC34C)C1CC(N1CCCC1)C2=O
inchi:
InChI=1S/C23H35NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-20H,3-13H2,1-2H3


cas: 15935-52-1
formula: C44H26N6O7
inchikey: GBMNMRCKYNZALS-UHFFFAOYSA-N
norman_susdat_id: NS00054141
pubchem_cid: NA
name:
N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis(benzamide)

inchi:
InChI=1/C44H26N6O7/c45-35-27(19-29(47-41(55)21-11-3-1-4-12-21)31-33(35)39(53)25-17-9-7-15-23(25)37(31)51)43-49-50-44(57-43)28-20-30(48-42(56)22-13-5-2-6-14-22)32-34(36(28)46)40(54)26-18-10-8-16-24(26)38(32)52/h1-20H,45-46H2,(H,47,55)(H,48,56)

smiles:
O=C(NC1=CC(C2=NN=C(O2)C=3C=C(NC(=O)C=4C=CC=CC4)C=5C(=O)C=6C=CC=CC6C(=O)C5C3N)=C(N)C=7C(=O)C=8C=CC=CC8C(=O)C17)C=9C=CC=CC9


name: Carboxy-ibuprofen
cas: 15935-54-3
chebiid: CHEBI:133199
chemspiderid: 8619532
formula: C13H16O4
inchikey: DIVLBIVDYADZPL-UHFFFAOYSA-N
norman_susdat_id: NS00010569
pubchem_cid: 10444113
smiles: O=C(O)C(c1ccc(cc1)CC(C(=O)O)C)C
inchi:
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)


name: Everolimus
cas: 159351-69-6
chemspiderid: 24747214
dtxsid: DTXSID0040599
formula: C53H83N1O14
inchikey: HKVAMNSJSFKALM-ADNAJIBWSA-N
norman_susdat_id: NS00010155
pubchem_cid: 23181308
inchi:
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11-,16-12-,33-17-,37-27-/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1

smiles:
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=C/C=CC=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1OCCO


name: Methyl 3-(2-{[4-cyano-4-(3,4-dimethoxyphenyl)-4-(propan-2-yl)butyl](methyl)amino}ethyl)benzoate
cas: 1593673-23-4
formula: C27H36N2O4
inchikey: VAZNEHLGJGSQEL-MHZLTWQESA-N
norman_susdat_id: NS00073417
pubchem_cid: 91824132
smiles: COC(=O)c1cccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1
inchi:
InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1


name: 9,10-Anthracenedione, 1-hydroxy-4-[[4-[(methylsulfonyl)oxy]phenyl]amino]-
cas: 1594-08-7
chemspiderid: 66744
dtxsid: DTXSID6061810
formula: C21H15N1O6S1
inchikey: NTZOUXAZCADJBZ-UHFFFAOYSA-N
norman_susdat_id: NS00019950
pubchem_cid: 74132
smiles: CS(=O)(=O)Oc1ccc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(O)cc2)cc1
inchi:
InChI=1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3


name: 1-ethyl-4-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide
cas: 15941-82-9
dtxsid: DTXSID40936096
formula: C21H21N2S
inchikey: OVIKCIXFYVKSDD-UHFFFAOYSA-M
norman_susdat_id: NS00054615
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC3=CC=[N+](C=4C=CC=CC34)CC)CC
inchi:
InChI=1/C21H21N2S.HI/c1-3-22-14-13-16(17-9-5-6-10-18(17)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: trans-2-Amino-N-(4-hydroxycyclohexyl)benzamide
cas: 15942-11-7
chemspiderid: 76833
dtxsid: DTXSID40166654
formula: C13H18N2O2
inchikey: RODNVULEJJJVHO-UHFFFAOYSA-N
norman_susdat_id: NS00025187
pubchem_cid: 85198
smiles: Nc1c(cccc1)C(=O)NC1CCC(O)CC1
inchi:
InChI=1S/C13H18N2O2/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(16)8-6-9/h1-4,9-10,16H,5-8,14H2,(H,15,17)/t9-,10+


name: Enfuvirtide
cas: 159519-65-0
chemspiderid: 16743716
dtxsid: DTXSID20166672
formula: C204H301N51O64
inchikey: PEASPLKKXBYDKL-UHFFFAOYSA-N
norman_susdat_id: NS00040574
pubchem_cid: NA
inchi:
InChI=1S/C204H301N51O64/c1-20-102(15)166(253-195(310)137(75-100(11)12)239-200(315)150(93-258)251-190(305)143(82-112-90-215-95-219-112)248-203(318)167(103(16)21-2)254-196(311)138(76-101(13)14)240-201(316)151(94-259)252-204(319)168(105(18)260)255-197(312)139(221-106(19)261)78-108-45-47-113(262)48-46-108)202(317)233-131(58-68-164(280)281)178(293)228-130(57-67-163(278)279)182(297)250-149(92-257)198(313)232-125(52-62-155(210)266)179(294)245-145(84-157(212)268)191(306)229-124(51-61-154(209)265)175(290)224-122(49-59-152(207)263)173(288)226-126(53-63-159(270)271)176(291)222-120(43-31-33-69-205)172(287)244-144(83-156(211)267)192(307)231-127(54-64-160(272)273)177(292)225-123(50-60-153(208)264)174(289)227-128(55-65-161(274)275)180(295)235-134(72-97(5)6)185(300)237-133(71-96(3)4)184(299)230-129(56-66-162(276)277)181(296)236-135(73-98(7)8)187(302)247-147(86-165(282)283)194(309)223-121(44-32-34-70-206)171(286)241-140(79-109-87-216-117-40-28-25-37-114(109)117)183(298)220-104(17)170(285)249-148(91-256)199(314)238-136(74-99(9)10)186(301)242-142(81-111-89-218-119-42-30-27-39-116(111)119)189(304)246-146(85-158(213)269)193(308)243-141(80-110-88-217-118-41-29-26-38-115(110)118)188(303)234-132(169(214)284)77-107-35-23-22-24-36-107/h22-30,35-42,45-48,87-90,95-105,120-151,166-168,216-218,256-260,262H,20-21,31-34,43-44,49-86,91-94,205-206H2,1-19H3,(H2,207,263)(H2,208,264)(H2,209,265)(H2,210,266)(H2,211,267)(H2,212,268)(H2,213,269)(H2,214,284)(H,215,219)(H,220,298)(H,221,261)(H,222,291)(H,223,309)(H,224,290)(H,225,292)(H,226,288)(H,227,289)(H,228,293)(H,229,306)(H,230,299)(H,231,307)(H,232,313)(H,233,317)(H,234,303)(H,235,295)(H,236,296)(H,237,300)(H,238,314)(H,239,315)(H,240,316)(H,241,286)(H,242,301)(H,243,308)(H,244,287)(H,245,294)(H,246,304)(H,247,302)(H,248,318)(H,249,285)(H,250,297)(H,251,305)(H,252,319)(H,253,310)(H,254,311)(H,255,312)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)

smiles:
CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(C)=O)C(C)O)C(C)CC)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O


name: 2-hydroxybutyl 2-(2-oxoimidazolidin-1-yl)ethyl maleate
cas: 15957-73-0
formula: C13H20N2O6
inchikey: URNIKBZAMSRPMA-ARJAWSKDSA-N
norman_susdat_id: NS00053769
pubchem_cid: 6436442
smiles: O=C(OCCN1C(=O)NCC1)C=CC(=O)OCC(O)CC
inchi:
InChI=1/C13H20N2O6/c1-2-10(16)9-21-12(18)4-3-11(17)20-8-7-15-6-5-14-13(15)19/h3-4,10,16H,2,5-9H2,1H3,(H,14,19)


name: Artemether
cas: 159573-83-8
chebiid: CHEBI:195280
chemspiderid: 62138
dtxsid: DTXSID7040651
formula: C16H26O5
inchikey: SXYIRMFQILZOAM-HVNFFKDJSA-N
norman_susdat_id: NS00001253
pubchem_cid: 68911
smiles: CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
inchi:
InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1


name: 2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonic acid
cas: 15958-19-7
formula: C17H13ClN2O4S
inchikey: IYHIFXGFKVJNBB-UHFFFAOYSA-N
norman_susdat_id: NS00086344
smiles: Cc3cc(N=Nc1c2ccccc2ccc1O)c(cc3Cl)S(O)(=O)=O
inchi:
InChI=1/C17H13ClN2O4S/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21/h2-9,21H,1H3,(H,22,23,24)


name: Propanenitrile, 3-[[4-[(4-nitrophenyl)azo]phenyl][2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-
cas: 15958-27-7
chemspiderid: 76839
dtxsid: DTXSID1065976
formula: C24H22N6O4
inchikey: TYSBKZZQBVAKMC-UHFFFAOYSA-N
norman_susdat_id: NS00020750
pubchem_cid: 85204
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)N(CCOC(=O)Nc1ccccc1)CCC#N
inchi:
InChI=1S/C24H22N6O4/c25-15-4-16-29(17-18-34-24(31)26-19-5-2-1-3-6-19)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-18H2,(H,26,31)/b28-27+


name: 2-[(2-Cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl butylcarbamate
cas: 15958-43-7
chemspiderid: 76840
dtxsid: DTXSID6065977
formula: C23H25N7O4
inchikey: IYJLCWHPPXDSPO-UHFFFAOYSA-N
norman_susdat_id: NS00025193
pubchem_cid: 85205
smiles: CCCCNC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C23H25N7O4/c1-2-3-12-26-23(31)34-15-14-29(13-4-11-24)20-7-5-19(6-8-20)27-28-22-10-9-21(30(32)33)16-18(22)17-25/h5-10,16H,2-4,12-15H2,1H3,(H,26,31)/b28-27+


name: 9,10-Anthracenedione, 1-[[4-(phenylsulfonyl)phenyl]amino]-
cas: 15958-61-9
chemspiderid: 76841
dtxsid: DTXSID1065978
formula: C26H17N1O4S1
inchikey: KENBLFRKIMERGS-UHFFFAOYSA-N
norman_susdat_id: NS00025194
pubchem_cid: 85206
smiles: O=C1c2ccccc2C(=O)c2c(Nc3ccc(cc3)S(=O)(=O)c3ccccc3)cccc12
inchi:
InChI=1S/C26H17NO4S/c28-25-20-9-4-5-10-21(20)26(29)24-22(25)11-6-12-23(24)27-17-13-15-19(16-14-17)32(30,31)18-7-2-1-3-8-18/h1-16,27H


name: 9,10-Anthracenedione, 1,5-bis(cyclohexylamino)-
cas: 15958-68-6
chemspiderid: 76842
dtxsid: DTXSID6065979
formula: C26H30N2O2
inchikey: QSNJWMJODWUDPJ-UHFFFAOYSA-N
norman_susdat_id: NS00025195
pubchem_cid: 85207
smiles: O=C1c2cccc(NC3CCCCC3)c2C(=O)c2c1c(NC1CCCCC1)ccc2
inchi:
InChI=1S/C26H30N2O2/c29-25-20-14-8-16-22(28-18-11-5-2-6-12-18)24(20)26(30)19-13-7-15-21(23(19)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2


name: o-aminophenyl ß-D-glucopyranosiduronic acid
cas: 15959-03-2
dtxsid: DTXSID10936129
formula: C12H15NO7
inchikey: ZVFVTBSWJWONEI-GOVZDWNOSA-N
norman_susdat_id: NS00053770
pubchem_cid: 85208
smiles: O=C(O)C1OC(OC=2C=CC=CC2N)C(O)C(O)C1O
inchi:
InChI=1/C12H15NO7/c13-5-3-1-2-4-6(5)19-12-9(16)7(14)8(15)10(20-12)11(17)18/h1-4,7-10,12,14-16H,13H2,(H,17,18)


name: Naphthol AS-MX phosphate
cas: 1596-56-1
chemspiderid: 66747
dtxsid: DTXSID60166696
formula: C19H18N1O5P1
inchikey: IOMLBTHPCVDRHM-UHFFFAOYSA-N
norman_susdat_id: NS00021711
pubchem_cid: 74136
smiles: Cc1cc(C)c(NC(=O)c2cc3c(cccc3)cc2OP(=O)(O)O)cc1
inchi:
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)


name: Quinacillin
cas: 1596-63-0
chemspiderid: 83858
formula: C18H16N4O6S1
inchikey: GPMSLJIYNWBYEL-TYNCELHUSA-N
norman_susdat_id: NS00011624
pubchem_cid: 92894
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(nc4ccccc4n3)C(=O)O)C(=O)O)C
inchi:
InChI=1S/C18H16N4O6S/c1-18(2)12(17(27)28)22-14(24)11(15(22)29-18)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1


name: L-Thyronin
cas: 1596-67-4
chebiid: CHEBI:30661
chemspiderid: 92619
formula: C15H15N1O4
inchikey: KKCIOUWDFWQUBT-UHFFFAOYSA-N
norman_susdat_id: NS00009376
pubchem_cid: 102544
smiles: NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O
inchi:
InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)


name: Dipotassium 5-tert-butylisophthalate
cas: 15968-02-2
formula: C12H14O4.2K
inchikey: WSEOCKWZDYMTPH-UHFFFAOYSA-L
norman_susdat_id: NS00086355
smiles: [K+].[K+].CC(C)(C)c1cc(cc(c1)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H14O4.2K/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16;;/h4-6H,1-3H3,(H,13,14)(H,15,16);;/q;2*+1/p-2


name: 1,3,4,6-Tetrakis(butoxymethyl)tetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
cas: 15968-37-3
chemspiderid: 76851
dtxsid: DTXSID70166708
formula: C24H46N4O6
inchikey: UUOUGRUMSRMJHY-UHFFFAOYSA-N
norman_susdat_id: NS00021712
pubchem_cid: 85216
smiles: CCCCOCN1C2C(N(COCCCC)C1=O)N(COCCCC)C(=O)N2COCCCC
inchi:
InChI=1S/C24H46N4O6/c1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2/h21-22H,5-20H2,1-4H3/t21-,22-


name: 19-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorononadecane
cas: 1597-70-2
dtxsid: DTXSID70895329
formula: C19H22BrF17
inchikey: CGGQUPOCGJBCMK-UHFFFAOYSA-N
norman_susdat_id: NS00111393
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)CCCCCCCCCCCBr
inchi:
InChI=1S/C19H22BrF17/c20-11-9-7-5-3-1-2-4-6-8-10-12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)37/h1-11H2


name: Paramethasone 21-acetate
cas: 1597-82-6
chebiid: CHEBI:31963
dtxsid: DTXSID8023422
formula: C24H31FO6
inchikey: HYRKAAMZBDSJFJ-LFDBJOOHSA-N
norman_susdat_id: NS00048751
pubchem_cid: 443928
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3


name: Bis(diethyldithiocarbamato-S,S')cobalt
cas: 15974-34-2
formula: C10H20CoN2S4
inchikey: APMQGWUYHMFEMM-UHFFFAOYSA-L
norman_susdat_id: NS00086680
smiles: CCN(CC)C(=S)S[Co]SC(=S)N(CC)CC
inchi:
InChI=1/2C5H11NS2.Co/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20CoN2S4/c1-5-12(6-2)9(14)16-11-17-10(15)13(7-3)8-4/h5-8H2,1-4H3


name: Melagatran
cas: 159776-70-2
chebiid: CHEBI:43966
chemspiderid: 159822
dtxsid: DTXSID30166724
formula: C22H31N5O4
inchikey: DKWNMCUOEDMMIN-PKOBYXMFSA-N
norman_susdat_id: NS00009077
pubchem_cid: 183797
smiles: NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
inchi:
InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1


name: α-D-Mannose 1-phosphate
cas: 15978-07-1
chebiid: CHEBI:18205
chemspiderid: 388412
formula: C6H13O9P1
inchikey: HXXFSFRBOHSIMQ-RWOPYEJCSA-N
norman_susdat_id: NS00015212
pubchem_cid: 439279
smiles: C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O
inchi:
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1


cas: 15979-19-8
dtxsid: DTXSID40884861
formula: C39H45N2S2
inchikey: FNPCQDVGQPFHND-UHFFFAOYSA-M
norman_susdat_id: NS00053276
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC3=CC(=CC=CC4=CC(=CC=5SC=6C=CC=CC6[N+]5CC)CC(C)(C)C4)CC(C)(C)C3)CC
name:
3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium iodide

inchi:
InChI=1/C39H45N2S2.HI/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;/h9-23H,7-8,24-27H2,1-6H3;1H/q+1;/p-1


name: 1,3-Bis(2,2,3,3,4,4,4-heptafluorobutoxy)propan-2-ol
cas: 1598-17-0
dtxsid: DTXSID10895641
formula: C11H10F14O3
inchikey: VLFHADDJTCJDHD-UHFFFAOYSA-N
norman_susdat_id: NS00109358
smiles: OC(COCC(F)(F)C(F)(F)C(F)(F)F)COCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F14O3/c12-6(13,8(16,17)10(20,21)22)3-27-1-5(26)2-28-4-7(14,15)9(18,19)11(23,24)25/h5,26H,1-4H2


name: undecylenamidopropyl
cas: 159811-51-5
chemspiderid: 19349271
formula: C28H35N1O3
inchikey: HKDLNTKNLJPAIY-UHFFFAOYSA-N
norman_susdat_id: NS00004331
pubchem_cid: 13559279
smiles: CN(C)c1ccc(cc1)C1CC2(C)C(CCC2(O)C(C)=O)C2CCC3=CC(=O)CCC3=C12
inchi:
InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3


name: Tetrabismuth trisilicate
cas: 15983-20-7
formula: Bi.3/4H4O4Si
inchikey: PGLFRGXDTGBTDK-UHFFFAOYSA-N
norman_susdat_id: NS00086681
smiles: [BiH3+3].[BiH3+3].[BiH3+3].[BiH3+3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/4Bi.3O3Si.12H/c;;;;3*1-4(2)3;;;;;;;;;;;;/q4*+3;3*-2;;;;;;;;;;;;/r4BiH3.3O3Si/c;;;;3*1-4(2)3/h4*1H3;;;/q4*+3;3*-2


name: 4,6-Dianilino-1,3,5-triazine-2(1H)-thione
cas: 15989-50-1
chemspiderid: 2297563
dtxsid: DTXSID70166763
formula: C15H13N5S1
inchikey: ZHVAHDKGUHZVSB-UHFFFAOYSA-N
norman_susdat_id: NS00025207
pubchem_cid: 3032644
smiles: S=c1nc(Nc2ccccc2)[nH]c(Nc2ccccc2)n1
inchi:
InChI=1S/C15H13N5S/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)


name: Tris[bis(2-ethylhexyl)dithiocarbamato-S,S']antimony
cas: 15991-76-1
formula: C51H102N3S6Sb
inchikey: FPLFMZZKSXPSQO-UHFFFAOYSA-K
norman_susdat_id: NS00087385
smiles: CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Sb](SC(=S)N(CC(CC)CCCC)CC(CC)CCCC)SC(=S)N(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/3C17H35NS2.Sb/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3/p-3/rC51H102N3S6Sb/c1-13-25-31-43(19-7)37-52(38-44(20-8)32-26-14-2)49(55)58-61(59-50(56)53(39-45(21-9)33-27-15-3)40-46(22-10)34-28-16-4)60-51(57)54(41-47(23-11)35-29-17-5)42-48(24-12)36-30-18-6/h43-48H,13-42H2,1-12H3


name: Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo-
cas: 15993-42-7
chemspiderid: 77521
dtxsid: DTXSID90864653
formula: C18H17Cl1N4O6
inchikey: AYOFXUHULUCJBF-UHFFFAOYSA-N
norman_susdat_id: NS00002173
pubchem_cid: 85940
smiles: COc1ccc(Cl)cc1NC(=O)C(N=Nc1ccc(cc1OC)[N+]([O-])=O)C(C)=O
inchi:
InChI=1S/C18H17ClN4O6/c1-10(24)17(18(25)20-14-8-11(19)4-7-15(14)28-2)22-21-13-6-5-12(23(26)27)9-16(13)29-3/h4-9,17H,1-3H3,(H,20,25)


name: Nelfinavir
cas: 159989-64-7
chebiid: CHEBI:7496
chemspiderid: 57718
dtxsid: DTXSID5035080
formula: C32H45N3O4S1
inchikey: QAGYKUNXZHXKMR-HKWSIXNMSA-N
norman_susdat_id: NS00003195
pubchem_cid: 64143
smiles: Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
inchi:
InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1


name: 1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis-
cas: 15999-06-1
chemspiderid: 141311
dtxsid: DTXSID9065990
formula: C37H32N6O15S4
inchikey: PYZZWCXOEADQTK-UHFFFAOYSA-N
norman_susdat_id: NS00025208
pubchem_cid: 160837
inchi:
InChI=1S/C37H32N6O15S4/c1-19-11-29(31(57-3)17-27(19)42-40-21-13-25-23(35(15-21)61(51,52)53)7-5-9-33(25)59(45,46)47)38-37(44)39-30-12-20(2)28(18-32(30)58-4)43-41-22-14-26-24(36(16-22)62(54,55)56)8-6-10-34(26)60(48,49)50/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)/b42-40+,43-41?

smiles:
COc1cc(N=Nc2cc3c(cccc3S(=O)(=O)O)c(c2)S(=O)(=O)O)c(C)cc1NC(=O)Nc1cc(C)c(cc1OC)N=Nc1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O


name: Oxydiethylene dilaurate
cas: 1600-22-4
formula: C28H54O5
inchikey: WKJAKPPSIAEQJL-UHFFFAOYSA-L
norman_susdat_id: NS00080986
smiles: CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].C=COC=C
inchi:
InChI=1/2C12H24O2.C4H6O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-4-2/h2*2-11H2,1H3,(H,13,14);3-4H,1-2H2/p-2


name: 2-(hydroxymethyl)-5-(6-methyl-9h-purin-9-yl)oxolan-3-ol
cas: 16006-64-7
dtxsid: DTXSID00936214
formula: C11H14N4O3
inchikey: SJXRKKYXNZWKDB-DJLDLDEBSA-N
norman_susdat_id: NS00070166
pubchem_cid: 97184
smiles: Cc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
inchi:
InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1


name: Phenylbutazone trimethylgallate
cas: 16006-74-9
chemspiderid: 25706
dtxsid: DTXSID40166795
formula: C29H30N2O6
inchikey: LAVQJQXAUQINRC-UHFFFAOYSA-N
norman_susdat_id: NS00025212
pubchem_cid: 27624
smiles: CCCCc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)n(n(c1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C29H30N2O6/c1-5-6-17-23-27(32)30(21-13-9-7-10-14-21)31(22-15-11-8-12-16-22)28(23)37-29(33)20-18-24(34-2)26(36-4)25(19-20)35-3/h7-16,18-19H,5-6,17H2,1-4H3


name: Methyldesorphine [INN:BAN:DCF]
cas: 16008-36-9
chemspiderid: 4515065
dtxsid: DTXSID60166797
formula: C18H21N1O2
inchikey: CUFWYVOFDYVCPM-GGNLRSJOSA-N
norman_susdat_id: NS00025213
pubchem_cid: 5362518
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2CC=C4C)c35
inchi:
InChI=1S/C18H21NO2/c1-10-3-5-12-13-9-11-4-6-14(20)16-15(11)18(12,17(10)21-16)7-8-19(13)2/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17-,18-/m0/s1


name: Hemin
cas: 16009-13-5
chebiid: CHEBI:50385
chemspiderid: 21160444
dtxsid: DTXSID9037662
formula: C34H34N4O4
inchikey: BTIJJDXEELBZFS-HXFTUNQESA-K
norman_susdat_id: NS00019783
pubchem_cid: NA
smiles: [Fe+++].Cc1c(CCC(=O)O)c2=CC3=NC(=Cc4c(C=C)c(C)c([n-]4)C=C4N=C(C=c1[n-]2)C(=C4C=C)C)C(=C3CCC(=O)O)C
inchi:
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-


name: Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
cas: 1601-18-9
chemspiderid: 14601
dtxsid: DTXSID30166800
formula: C20H18Cl1N1O4
inchikey: OKHORWCUMZIORR-UHFFFAOYSA-N
norman_susdat_id: NS00025214
pubchem_cid: 15339
smiles: COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2c1cc(OC)cc2
inchi:
InChI=1S/C20H18ClNO4/c1-12-16(11-19(23)26-3)17-10-15(25-2)8-9-18(17)22(12)20(24)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3


name: Iron citrate
cas: 160-10-5
formula: C6H8O7.xFe
inchikey: VTIIZUHZMUVVCB-UHFFFAOYSA-K
norman_susdat_id: NS00082998
smiles: [Fe+3].O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O
inchi:
InChI=1/C6H8O7.Fe.4H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;4*1H2/q;+3;;;;/p-3


name: L-alanyl(benzyloxycarbonyl)-L-alanine
cas: 16012-70-7
dtxsid: DTXSID30936227
formula: C14H18N2O5
inchikey: NAGPRSKMAWUDOI-UWVGGRQHSA-N
norman_susdat_id: NS00053374
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)N(C(=O)C(N)C)C(C(=O)O)C
inchi:
InChI=1/C14H18N2O5/c1-9(15)12(17)16(10(2)13(18)19)14(20)21-8-11-6-4-3-5-7-11/h3-7,9-10H,8,15H2,1-2H3,(H,18,19)


name: 4-[(5-chloro-4-methyl-2-sulphophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 16013-44-8
formula: C18H13ClN2O6S
inchikey: LZNMMJSXOXXHFD-UHFFFAOYSA-N
norman_susdat_id: NS00086772
smiles: Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C(O)=O)c2O)S(O)(=O)=O
inchi:
InChI=1/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)


name: 3-hydroxy-4-[(4-methyl-2-sulphophenyl)azo]-2-naphthoic acid
cas: 16014-23-6
formula: C18H14N2O6S
inchikey: JYNBEDVXQNFTOX-UHFFFAOYSA-N
norman_susdat_id: NS00087442
smiles: OS(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C(O)=O)c1O
inchi:
InChI=1/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)


name: N2-(2,4-dinitrophenyl)-L-asparagine
cas: 1602-40-0
formula: C10H12N4O7
inchikey: NILMEQUBTVNETI-ZETCQYMHSA-N
norman_susdat_id: NS00047346
pubchem_cid: 96802
smiles: O=C(O)C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)N
inchi:
InChI=1/C10H10N4O7/c11-9(15)4-7(10(16)17)12-6-2-1-5(13(18)19)3-8(6)14(20)21/h1-3,7,12H,4H2,(H2,11,15)(H,16,17)


name: N2-(2,4-dinitrophenyl)-L-glutamine
cas: 1602-41-1
chebiid: CHEBI:72487
formula: C11H14N4O7
inchikey: OLIFDVJRECUYJH-QMMMGPOBSA-N
norman_susdat_id: NS00048077
pubchem_cid: 96809
smiles: O=C(O)C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N
inchi:
InChI=1/C11H12N4O7/c12-10(16)4-3-8(11(17)18)13-7-2-1-6(14(19)20)5-9(7)15(21)22/h1-2,5,8,13H,3-4H2,(H2,12,16)(H,17,18)


name: N2-(2,4-dinitrophenyl)-L-arginine
cas: 1602-42-2
dtxsid: DTXSID70936246
formula: C12H18N6O6
inchikey: GZJXZYUXRVBOAH-VIFPVBQESA-N
norman_susdat_id: NS00048078
pubchem_cid: NA
smiles: O=C(O)C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCNC(=N)N
inchi:
InChI=1/C12H16N6O6/c13-12(14)15-5-1-2-9(11(19)20)16-8-4-3-7(17(21)22)6-10(8)18(23)24/h3-4,6,9,16H,1-2,5H2,(H,19,20)(H4,13,14,15)


name: 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] di(salicylate)
cas: 16022-70-1
formula: C30H40N4.2C7H5O3
inchikey: KJKANYXQJTTYMC-UHFFFAOYSA-N
norman_susdat_id: NS00086873
smiles: Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.Oc5ccccc5C(=O)[O-].Oc6ccccc6C(=O)[O-]
inchi:
InChI=1/C30H38N4.2C7H6O3/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1-4,8H,(H,9,10)


name: tert-Butyl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
cas: 160232-08-6
chemspiderid: 10624878
dtxsid: DTXSID10432611
formula: C19H32N2O3
inchikey: NVEPLQDORJSXRO-UHFFFAOYSA-N
norman_susdat_id: NS00008622
pubchem_cid: 21878363
smiles: CC(C)CNCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
inchi:
InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)


name: 7-[(Methylthio)methyl]paclitaxel
cas: 160237-25-2
dtxsid: DTXSID30873340
formula: C49H55NO14S
inchikey: UBJAHGAUPNGZFF-XOVTVWCYSA-N
norman_susdat_id: NS00073505
pubchem_cid: 6918461
inchi:
InChI=1S/C49H55NO14S/c1-27-33(62-45(57)38(53)37(30-17-11-8-12-18-30)50-43(55)31-19-13-9-14-20-31)24-49(58)42(63-44(56)32-21-15-10-16-22-32)40-47(6,41(54)39(61-28(2)51)36(27)46(49,4)5)34(60-26-65-7)23-35-48(40,25-59-35)64-29(3)52/h8-22,33-35,37-40,42,53,58H,23-26H2,1-7H3,(H,50,55)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1

smiles:
CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C


name: 1-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide
cas: 16025-99-3
dtxsid: DTXSID20936256
formula: C21H21N2S
inchikey: UUIVFFWYLLXVKC-UHFFFAOYSA-M
norman_susdat_id: NS00054691
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=3C=CC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C21H21N2S.HI/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: Calcium bis[(Z)-N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate]
cas: 16026-16-7
formula: C21H39NO3.1/2Ca
inchikey: YUYLGIXKGUIIBR-UHFFFAOYSA-L
norman_susdat_id: NS00086773
smiles: CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Ca]OC(=O)CN(C)C(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C21H39NO3.Ca/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h2*10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;;+2/p-2


name: Thiamine hydrochloride phosphate
cas: 16028-14-1
formula: C12H18N4O4PS.ClH.Cl
inchikey: MZNQVFULLGBPJJ-UHFFFAOYSA-M
norman_susdat_id: NS00087717
smiles: [Cl-].Cl.OP(O)(=O)O.Cc2nc(N)c(C[n+]1csc(CCO)c1C)cn2
inchi:
InChI=1/C12H17N4OS.2ClH.H3O4P/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;1-5(2,3)4/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H;(H3,1,2,3,4)/q+1;;;/p-1


cas: 160305-97-5
dtxsid: DTXSID20882926
norman_susdat_id: NS00109632
name:
Benzoic acid, 2,3,4,5-tetrachloro-6-[[(3-hydroxyphenyl)amino]carbonyl]-, perfluoro-C6-8-alkanesulfonates (esters), monopotassium salts


cas: 160332-89-8
inchikey: XXWGXNLCZZKFMQ-UHFFFAOYSA-N
norman_susdat_id: NS00078186
smiles: CC(C)[NH2+]CC[NH2+]C(C)C.OCC=C1OC2CC(=O)N2C1C([O-])=O.OCC=C1OC2CC(=O)N2C1C([O-])=O
name:
N,N'-diisopropylethane-1,2-diaminium bis[(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate]


cas: 160336-09-4
dtxsid: DTXSID90883001
norman_susdat_id: NS00112035
name:
2-Propenoic acid, C16-18-alkyl esters, polymers with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heptadecafluorodecyl acrylate


cas: 160336-10-7
dtxsid: DTXSID40882963
norman_susdat_id: NS00110318
name:
1-Propanaminium, 3-amino-N-(2-carboxyethyl)-N,N-dimethyl-, N-(δ-.omega.-perfluoro-β-hydroxy-C12-18-alkyl) derivs., inner salts


cas: 160336-17-4
dtxsid: DTXSID20883014
norman_susdat_id: NS00109639
name:
2-Propenoic acid, esters, butyl ester, polymers with 2-[methyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl acrylate


name: Iocetamic acid
cas: 16034-77-8
chebiid: CHEBI:91662
chemspiderid: 25724
dtxsid: DTXSID2023149
formula: C12H13I3N2O3
inchikey: GSVQIUGOUKJHRC-UHFFFAOYSA-N
norman_susdat_id: NS00008882
pubchem_cid: 27648
smiles: CC(CN(C(C)=O)c1c(I)cc(I)c(N)c1I)C(O)=O
inchi:
InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)


cas: 16044-24-9
formula: C23H25N2.HO4S
inchikey: VUFBTYDTQCZLCG-UHFFFAOYSA-L
norman_susdat_id: NS00087720
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.[O-]S(=O)(=O)[O-]
name:
Dimethyl[4-[4-(dimethylamino)-a-phenylbenzylidene]-2,5-cyclohexadien-1-ylidene]ammonium hydrogen sulphate

inchi:
InChI=1/C23H25N2.H2O4S/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-5(2,3)4/h5-17H,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: 1,1,1,2,2,3,3,4,4-Nonafluorooctadec-5-ene
cas: 160460-03-7
dtxsid: DTXSID80895350
formula: C18H27F9
inchikey: ZHLCQJIGPWWKTA-UHFFFAOYSA-N
norman_susdat_id: NS00111727
smiles: CCCCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H27F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19,20)16(21,22)17(23,24)18(25,26)27/h13-14H,2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoroicos-7-ene
cas: 160460-04-8
dtxsid: DTXSID50895504
formula: C20H27F13
inchikey: FIUWPWXECNIWRB-UHFFFAOYSA-N
norman_susdat_id: NS00110717
smiles: CCCCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H27F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h13-14H,2-12H2,1H3


name: Potassium 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate
cas: 1604816-60-5
dtxsid: DTXSID20896629
formula: C8H8F9KO3S
inchikey: BCNRCFKVKQFNHN-UHFFFAOYSA-M
norman_susdat_id: NS00109785
smiles: [K+].[O-]S(=O)(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H9F9O3S.K/c9-5(10,3-1-2-4-21(18,19)20)6(11,12)7(13,14)8(15,16)17;/h1-4H2,(H,18,19,20);/q;+1/p-1


name: Lithium 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate
cas: 1604816-75-2
dtxsid: DTXSID30896630
formula: C8H8F9LiO3S
inchikey: VLIYAQGJJPVTQH-UHFFFAOYSA-M
norman_susdat_id: NS00110129
smiles: [Li+].[O-]S(=O)(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H9F9O3S.Li/c9-5(10,3-1-2-4-21(18,19)20)6(11,12)7(13,14)8(15,16)17;/h1-4H2,(H,18,19,20);/q;+1/p-1


name: Osanetant
cas: 160492-56-8
dtxsid: DTXSID70870070
formula: C35H41Cl2N3O2
inchikey: DZOJBGLFWINFBF-UMSFTDKQSA-N
norman_susdat_id: NS00069603
pubchem_cid: 219077
smiles: CC(=O)N(C)C1(c2ccccc2)CCN(CCC[C@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1
inchi:
InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1


name: 1,2-dimethylquinolinium methyl sulphate
cas: 1605-74-9
dtxsid: DTXSID80166895
formula: C11H12N
inchikey: DYPVVNINWYTKOK-UHFFFAOYSA-M
norman_susdat_id: NS00045842
pubchem_cid: 197744
smiles: O=S(=O)([O-])OC.C=1C=CC2=C(C1)C=CC(=[N+]2C)C
inchi:
InChI=1/C11H12N.CH4O4S/c1-9-7-8-10-5-3-4-6-11(10)12(9)2;1-5-6(2,3)4/h3-8H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Bolasterone
cas: 1605-89-6
chebiid: CHEBI:34583
chemspiderid: 92280
dtxsid: DTXSID40166896
formula: C21H32O2
inchikey: IVFYLRMMHVYGJH-VLOLGRDOSA-N
norman_susdat_id: NS00021718
pubchem_cid: 102146
smiles: C[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
inchi:
InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16+,17+,18-,19+,20+,21+/m1/s1


name: 1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium iodide
cas: 16055-33-7
dtxsid: DTXSID00884867
formula: C20H19N2S
inchikey: WXXIRKQQOXTYSK-UHFFFAOYSA-M
norman_susdat_id: NS00055159
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=3C=CC=4C=CC=CC4[N+]3CC)C
inchi:
InChI=1/C20H19N2S.HI/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;/h4-14H,3H2,1-2H3;1H/q+1;/p-1


name: C18 Alcohol, predominately linear, 2 EO
cas: 16057-43-5
chemspiderid: 3377544
formula: C22H46O3
inchikey: ILCOCZBHMDEIAI-UHFFFAOYSA-N
norman_susdat_id: NS00095668
pubchem_cid: 4165923
smiles: OCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3


cas: 16059-16-8
chemspiderid: 2055443
dtxsid: DTXSID20379361
formula: C30H18F48N3O6P3
inchikey: TYEUBAWEDRQJFN-UHFFFAOYSA-N
norman_susdat_id: NS00018797
pubchem_cid: 2775070
name:
2,2,4,4,6,6-Hexakis[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]-1,3,5,2lambda~5~,4lambda~5~,6lambda~5~-triazatriphosphinine

inchi:
InChI=1S/C30H18F48N3O6P3/c31-7(32)19(55,56)25(67,68)13(43,44)1-82-88(83-2-14(45,46)26(69,70)20(57,58)8(33)34)79-89(84-3-15(47,48)27(71,72)21(59,60)9(35)36,85-4-16(49,50)28(73,74)22(61,62)10(37)38)81-90(80-88,86-5-17(51,52)29(75,76)23(63,64)11(39)40)87-6-18(53,54)30(77,78)24(65,66)12(41)42/h7-12H,1-6H2

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


name: N,N'-(1,6-hexanediyl)bismethacrylamide
cas: 16069-15-1
dtxsid: DTXSID30936368
formula: C14H24N2O2
inchikey: YBKWKURHPIBUEM-UHFFFAOYSA-N
norman_susdat_id: NS00054228
pubchem_cid: 85267
smiles: O=C(NCCCCCCNC(=O)C(=C)C)C(=C)C
inchi:
InChI=1/C14H24N2O2/c1-11(2)13(17)15-9-7-5-6-8-10-16-14(18)12(3)4/h1,3,5-10H2,2,4H3,(H,15,17)(H,16,18)


name: Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
cas: 16069-36-6
dtxsid: DTXSID30884870
formula: C20H36O6
inchikey: BBGKDYHZQOSNMU-UHFFFAOYSA-N
norman_susdat_id: NS00054310
pubchem_cid: 85955
smiles: O1CCOC2CCCCC2OCCOCCOC3CCCCC3OCC1
inchi:
InChI=1/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2


name: (Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with 2-aminoethanol (1:1)
cas: 16070-29-4
formula: C21H39NO3.C2H7NO
inchikey: APORHXDNYYBWMK-GMFCBQQYSA-N
norman_susdat_id: NS00086810
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NCCO
inchi:
InChI=1/C21H39NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;3-1-2-4/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);4H,1-3H2


name: Apricitabine
cas: 160707-69-7
dtxsid: DTXSID60166974
formula: C8H11N3O3S
inchikey: RYMCFYKJDVMSIR-RNFRBKRXSA-N
norman_susdat_id: NS00069180
pubchem_cid: 455041
smiles: Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1
inchi:
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1


cas: 160709-33-1
dtxsid: DTXSID30882856
norman_susdat_id: NS00109970
name:
2-Propenoic acid, esters, 2-methyl-, 2-ethylhexyl ester, polymers with 2-[[(heptadecafluorooctyl)sulfonyl]amino]ethyl methacrylate N-C1-3-alkyl derivs.


name: C.I. Direct Brown 95
cas: 16071-86-6
chemspiderid: 17215001
dtxsid: DTXSID3020201
formula: C31H22N6O9S1
inchikey: HZBTZQVWJPRVDN-NQSQUIFHSA-J
norman_susdat_id: NS00020751
pubchem_cid: NA
inchi:
InChI=1S/C31H22N6O9S/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46)/b34-32?,35-24+,37-29-

smiles:
[Na+].[Na+].[Cu++].[O-]C(=O)c1c([O-])ccc(c1)N=Nc1ccc(cc1)c1ccc(N/N=C2/C(=O)C=C/C(=NNc3c([O-])ccc(c3)S(=O)(=O)[O-])/C2=O)cc1


name: Sodium m-[(4-amino-3-methoxyphenyl)azo]benzenesulphonate
cas: 1607-25-7
formula: C13H13N3O4S.Na
inchikey: CSVLGAQNGISLDW-UHFFFAOYSA-M
norman_susdat_id: NS00081307
smiles: [Na+].Nc1ccc(cc1OC)N=Nc2cccc(c2)S([O-])(=O)=O
inchi:
InChI=1/C13H13N3O4S.Na/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19;/h2-8H,14H2,1H3,(H,17,18,19);/q;+1/p-1


name: CNS 5161
cas: 160754-76-7
dtxsid: DTXSID20166975
formula: C16H18ClN3S2
inchikey: JHVHEDNLONERHY-UHFFFAOYSA-N
norman_susdat_id: NS00069973
pubchem_cid: 192711
smiles: CSc1cccc(N(C)/C(N)=N/c2cc(SC)ccc2Cl)c1
inchi:
InChI=1S/C16H18ClN3S2/c1-20(11-5-4-6-12(9-11)21-2)16(18)19-15-10-13(22-3)7-8-14(15)17/h4-10H,1-3H3,(H2,18,19)


name: Pinnatoxin A
cas: 160759-36-4
dtxsid: DTXSID40880101
formula: C41H61NO9
inchikey: ZYFHPTPXLHNGQK-PBTOPYJBSA-N
norman_susdat_id: NS00075599
inchi:
InChI=1/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35-,37+,38?,39?,40?,41?/s2

smiles:
[H][C@]12OC3(C[C@@H](C)[C@H]1O)C[C@@]1([H])CCCC4(CCC5(O4)O[C@@]([H])(CC[C@@]5(C)O)CC(=C)CCCC4=NC[C@H](C)[C@@H](C)CC44CCC(=C[C@]4([H])[C@]2([H])O3)C(O)=O)O1


name: 6-allyl-2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenol hydrochloride
cas: 16079-18-8
dtxsid: DTXSID00936395
formula: C15H23NO3
inchikey: QWBMTZLHKLAGJK-UHFFFAOYSA-N
norman_susdat_id: NS00053872
pubchem_cid: 3014921
smiles: Cl.OC=1C(OCC(O)CNC(C)C)=CC=CC1CC=C
inchi:
InChI=1/C15H23NO3.ClH/c1-4-6-12-7-5-8-14(15(12)18)19-10-13(17)9-16-11(2)3;/h4-5,7-8,11,13,16-18H,1,6,9-10H2,2-3H3;1H


name: Indirubin-3'-Monoxime
cas: 160807-49-8
chebiid: CHEBI:43645
dtxsid: DTXSID90416111
formula: C16H11N3O2
inchikey: HBDSHCUSXQATPO-BGBJRWHRSA-N
norman_susdat_id: NS00073176
smiles: O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=NO
inchi:
InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+


name: 4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-2-iodo-8-(trifluoromethyl)nonan-1-ol
cas: 16083-62-8
dtxsid: DTXSID20379907
formula: C10H6F15IO
inchikey: MGICORPGWNJZPY-UHFFFAOYSA-N
norman_susdat_id: NS00109510
smiles: OCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10H6F15IO/c11-4(12,1-3(26)2-27)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2H2


name: 2-Iodo-1h,1h,2h,3h,3h-perfluorodecan-1-ol
cas: 16083-64-0
chemspiderid: 2063516
dtxsid: DTXSID20382618
formula: C10H6F15I1O1
inchikey: DQVFKOBJDNVRJK-UHFFFAOYSA-N
norman_susdat_id: NS00018799
pubchem_cid: 2783374
smiles: OCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F15IO/c11-4(12,1-3(26)2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3,27H,1-2H2


name: 4,4,5,5,6,6,7,7,8,9,9,9-Dodecafluoro-2-(2-hydroxypropyl)-8-(trifluoromethyl)non-2-enoate
cas: 16083-75-3
dtxsid: DTXSID80703062
formula: C13H8F15O3
inchikey: CUODCAATWULWQM-UHFFFAOYSA-M
norman_susdat_id: NS00111609
smiles: CC(O)CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C([O-])=O
inchi:
InChI=1S/C13H9F15O3/c1-4(29)2-5(6(30)31)3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h3-4,29H,2H2,1H3,(H,30,31)/p-1


name: (Perfluoro-3-methylbutyl)-2-hydroxypropyl acrylate
cas: 16083-76-4
chemspiderid: 2056517
dtxsid: DTXSID60379880
formula: C11H9F11O3
inchikey: UMWCHHTXFDYJDZ-UHFFFAOYSA-N
norman_susdat_id: NS00018800
pubchem_cid: 2776196
smiles: OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C11H9F11O3/c1-2-6(24)25-4-5(23)3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h2,5,23H,1,3-4H2


name: 3-(Perfluoro(13-methyl)tetradecyl)-2-hydroxypropyl acrylate
cas: 16083-78-6
chemspiderid: 17333251
dtxsid: DTXSID60880224
formula: C21H9F31O3
inchikey: UKOJGDIRVHIDJM-UHFFFAOYSA-N
norman_susdat_id: NS00010981
pubchem_cid: 16204988
inchi:
InChI=1S/C21H9F31O3/c1-2-6(54)55-4-5(53)3-7(22,23)9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)18(43,44)16(39,40)14(35,36)12(31,32)10(27,28)8(24,20(47,48)49)21(50,51)52/h2,5,53H,1,3-4H2

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


name: 4,4,5,5,6,7,7,7-Octafluoro-2-hydroxy-6-(trifluoromethyl)heptyl 2-methylprop-2-enoate
cas: 16083-79-7
chemspiderid: 2056519
dtxsid: DTXSID80379882
formula: C12H11F11O3
inchikey: LZKRGSPBGVICLV-UHFFFAOYSA-N
norman_susdat_id: NS00018802
pubchem_cid: 2776198
smiles: CC(=C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12H11F11O3/c1-5(2)7(25)26-4-6(24)3-8(13,14)10(16,17)9(15,11(18,19)20)12(21,22)23/h6,24H,1,3-4H2,2H3


name: 3-(Perfluoro-5-methylhexyl)-2-hydroxypropyl methacrylate
cas: 16083-81-1
chemspiderid: 2056547
dtxsid: DTXSID40379904
formula: C14H11F15O3
inchikey: RPDBRTLKDYJCCE-UHFFFAOYSA-N
norman_susdat_id: NS00018803
pubchem_cid: 2776226
smiles: CC(=C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C14H11F15O3/c1-5(2)7(31)32-4-6(30)3-8(15,16)10(18,19)12(22,23)11(20,21)9(17,13(24,25)26)14(27,28)29/h6,30H,1,3-4H2,2H3


name: 3-(Perfluoro(11-methyl)dodecyl)-2-hydroxypropyl propenoate
cas: 16083-87-7
chemspiderid: 77538
dtxsid: DTXSID20880225
formula: C19H9F27O3
inchikey: KFXCWKVNSWWAAO-UHFFFAOYSA-N
norman_susdat_id: NS00010980
pubchem_cid: 85957
inchi:
InChI=1S/C19H9F27O3/c1-2-6(48)49-4-5(47)3-7(20,21)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)16(37,38)14(33,34)12(29,30)10(25,26)8(22,18(41,42)43)19(44,45)46/h2,5,47H,1,3-4H2

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


name: ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
cas: 160844-75-7
chemspiderid: 8060223
formula: C18H20N2O3S1
inchikey: OGAZOYHQFBSRMC-UHFFFAOYSA-N
norman_susdat_id: NS00002362
pubchem_cid: 9884549
smiles: CCOC(=O)c1sc(nc1C)-c1ccc(OCC(C)C)c(c1)C#N
inchi:
InChI=1S/C18H20N2O3S/c1-5-22-18(21)16-12(4)20-17(24-16)13-6-7-15(14(8-13)9-19)23-10-11(2)3/h6-8,11H,5,10H2,1-4H3


name: N-(Perfluoroheptanoyl)-3-aminopropanoic acid
cas: 160845-44-3
dtxsid: DTXSID90897027
formula: C10H6F13NO3
inchikey: WRCYUMJBOHRCEH-UHFFFAOYSA-N
norman_susdat_id: NS00112208
smiles: OC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F13NO3/c11-5(12,4(27)24-2-1-3(25)26)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1-2H2,(H,24,27)(H,25,26)


name: 1-decylpyridinium chloride
cas: 1609-21-8
dtxsid: DTXSID70883529
formula: C15H26N
inchikey: HJUPHPDWOUZDKH-UHFFFAOYSA-M
norman_susdat_id: NS00045246
pubchem_cid: 74160
smiles: [Cl-].C=1C=C[N+](=CC1)CCCCCCCCCC
inchi:
InChI=1/C15H26N.ClH/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16;/h9,11-12,14-15H,2-8,10,13H2,1H3;1H/q+1;/p-1


name: disodium 4,4'-bis[(4-anilino-6-morpholino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 16090-02-1
inchikey: VUJGKADZTYCLIL-UHFFFAOYSA-L
norman_susdat_id: NS00077202
smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)cc1S([O-])(=O)=O


cas: 160901-25-7
dtxsid: DTXSID00108095
norman_susdat_id: NS00108774
name:
Sulfonamides, C4-8-alkane, perfluoro, N-ethyl-N-(hydroxyethyl), reaction products with 2-ethyl-1-hexanol and polymethylenepolyphenylene isocyanate


cas: 160901-26-8
dtxsid: DTXSID40882802
norman_susdat_id: NS00110303
name:
Sulfonamides, C4-8-alkane, perfluoro, N-ethyl-N-(hydroxyethyl), reaction products with 2-ethyl-1-hexanol, Me Et ketone oxime and polymethylenepolyphenylene isocyanate


name: 3,6-bis[(4-bromo-2-sulphophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid
cas: 16091-04-6
formula: C22H14Br2N4O14S4
inchikey: QJTJGSDSFNFCRT-UHFFFAOYSA-N
norman_susdat_id: NS00054298
pubchem_cid: 135445689
inchi:
InChI=1/C22H14Br2N4O14S4/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)

smiles:
O=S(=O)(O)C1=CC(Br)=CC=C1N=NC2=C(O)C=3C(O)=C(N=NC4=CC=C(Br)C=C4S(=O)(=O)O)C(=CC3C=C2S(=O)(=O)O)S(=O)(=O)O


name: Dioctyltin maleate
cas: 16091-18-2
formula: C20H36O4Sn
inchikey: PZGVVCOOWYSSGB-KWZUVTIDSA-L
norman_susdat_id: NS00086868
smiles: CCCCCCCC[Sn+2]CCCCCCCC.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/2C8H17.C4H4O4.Sn/c2*1-3-5-7-8-6-4-2;5-3(6)1-2-4(7)8;/h2*1,3-8H2,2H3;1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2/rC16H34Sn.C4H4O4/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;5-3(6)1-2-4(7)8/h3-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+2;/p-2


name: UR-144 Degradant
cas: 1609273-88-2
chemspiderid: 29341797
formula: C21H29N1O1
inchikey: NBJHWTCAQOYUND-UHFFFAOYSA-N
norman_susdat_id: NS00017564
pubchem_cid: 124518655
smiles: O=C(CC(C)(C)C(C)=C)C1=CN(CCCCC)C2=C1C=CC=C2
inchi:
InChI=1S/C21H29NO/c1-6-7-10-13-22-15-18(17-11-8-9-12-19(17)22)20(23)14-21(4,5)16(2)3/h8-9,11-12,15H,2,6-7,10,13-14H2,1,3-5H3


name: Silodosin
cas: 160970-54-7
chemspiderid: 4471557
dtxsid: DTXSID40167045
formula: C25H32F3N3O4
inchikey: PNCPYILNMDWPEY-UHFFFAOYSA-N
norman_susdat_id: NS00040688
pubchem_cid: 5312125
smiles: CC(Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
inchi:
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)


name: Octadecanamide, N,N'-1,4-phenylenebis-
cas: 16099-54-0
chemspiderid: 76914
dtxsid: DTXSID7066011
formula: C42H76N2O2
inchikey: CQISYTXUORWJSX-UHFFFAOYSA-N
norman_susdat_id: NS00025249
pubchem_cid: 85283
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc1
inchi:
InChI=1S/C42H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)43-39-35-37-40(38-36-39)44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34H2,1-2H3,(H,43,45)(H,44,46)


cas: 160994-74-1
dtxsid: DTXSID50883047
norman_susdat_id: NS00110670
name:
Silane, trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-, reaction products with ammonia


name: 11,20-dioxo-5-ß-pregnan-3-a-yl acetate
cas: 1610-52-2
dtxsid: DTXSID20936438
formula: C23H34O4
inchikey: NNMJHVBZUSISMC-UHFFFAOYSA-N
norman_susdat_id: NS00045867
pubchem_cid: 95610
smiles: O=C(OC1CCC2(C)C3C(=O)CC4(C)C(C(=O)C)CCC4C3CCC2C1)C
inchi:
InChI=1/C23H34O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(27-14(2)25)9-10-22(15,3)21(17)20(26)12-23(18,19)4/h15-19,21H,5-12H2,1-4H3


name: 9-Methoxy-1,5-dimethyl-6H-pyrido(4,3-b)carbazole
cas: 16101-08-9
chemspiderid: 4588274
dtxsid: DTXSID30167054
formula: C18H16N2O1
inchikey: ULYVKQSCHAJLQG-UHFFFAOYSA-N
norman_susdat_id: NS00025250
pubchem_cid: 5483786
smiles: COc1cc2c([nH]c3c2cc2c(C)nccc2c3C)cc1
inchi:
InChI=1S/C18H16N2O/c1-10-13-6-7-19-11(2)14(13)9-16-15-8-12(21-3)4-5-17(15)20-18(10)16/h4-9,20H,1-3H3


name: (+)-2,3,4,6-tetrahydro-9-methoxy-1,2,5-trimethyl-1H-pyrido[4,3-b]carbazole
cas: 16101-11-4
dtxsid: DTXSID80936439
formula: C19H22N2O
inchikey: REYSQEYAZQBOCP-UHFFFAOYSA-N
norman_susdat_id: NS00053888
pubchem_cid: 44145361
smiles: O(C1=CC=C2NC3=C(C=C4C(=C3C)CCN(C)C4C)C2=C1)C
inchi:
InChI=1/C19H22N2O/c1-11-14-7-8-21(3)12(2)15(14)10-17-16-9-13(22-4)5-6-18(16)20-19(11)17/h5-6,9-10,12,20H,7-8H2,1-4H3


cas: 16102-99-1
dtxsid: DTXSID90936440
formula: C22H18N2O11S3
inchikey: JALBGZPFNQMHSM-UHFFFAOYSA-L
norman_susdat_id: NS00053889
pubchem_cid: 11970386
name:
Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]anthracene-2-sulphonate

inchi:
InChI=1/C22H18N2O11S3.2Na/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-4-2-1-3-14(15)21(18)25)24-12-5-7-13(8-6-12)36(27,28)10-9-35-38(32,33)34;;/h1-8,11,24H,9-10,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-]


name: 6-(4-(4-diazonioanilino)phenylazo)-4-ethoxytoluene-3-diazonium zinc chloride
cas: 16103-04-1
formula: C21H19N7O
inchikey: NWBQGBKOMXUERG-UHFFFAOYSA-M
norman_susdat_id: NS00055230
pubchem_cid: 6367241
smiles: [Cl-].[Zn+2].N#[N+]C1=CC=C(C=C1)NC2=CC=C(N=NC=3C=C(OCC)C([N+]#N)=CC3C)C=C2
inchi:
InChI=1/C21H19N7O.ClH.Zn/c1-3-29-21-13-19(14(2)12-20(21)26-23)28-27-18-10-6-16(7-11-18)24-15-4-8-17(25-22)9-5-15;;/h4-13,24H,3H2,1-2H3;1H;/q+2;;+2/p-1


name: Methoxyfenozide
cas: 161050-58-4
chebiid: CHEBI:38449
chemspiderid: 94755
dtxsid: DTXSID3032628
formula: C22H28N2O3
inchikey: QCAWEPFNJXQPAN-UHFFFAOYSA-N
norman_susdat_id: NS00000434
pubchem_cid: 105010
smiles: O=C(c1cc(cc(c1)C)C)N(NC(=O)c2cccc(OC)c2C)C(C)(C)C
inchi:
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)


name: 1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methyl-1-(1h-1,2,3-triazol-4-yl)propan-1-ol
cas: 1610537-15-9
formula: C18H17F4N3O3
inchikey: ZBRAJOQFSNYJMF-SFHVURJKSA-N
norman_susdat_id: NS00073411
pubchem_cid: 78357816
smiles: CC(C)[C@](O)(c1ccc2cc(OC(F)F)c(OC(F)F)cc2c1)c1c[nH]nn1
inchi:
InChI=1S/C18H17F4N3O3/c1-9(2)18(26,15-8-23-25-24-15)12-4-3-10-6-13(27-16(19)20)14(28-17(21)22)7-11(10)5-12/h3-9,16-17,26H,1-2H3,(H,23,24,25)/t18-/m0/s1


name: 6-O-Cyclohexylmethyl Guanine
cas: 161058-83-9
formula: C12H17N5O
inchikey: MWGXGTJJAOZBNW-UHFFFAOYSA-N
norman_susdat_id: NS00069511
pubchem_cid: 4564
smiles: Nc1nc(OCC2CCCCC2)c2nc[nH]c2n1
inchi:
InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)


cas: 161075-00-9
dtxsid: DTXSID80882669
norman_susdat_id: NS00111660
name:
Reaction mass of 2,2,3,5,5,6-hexafluoro-3,6-bis(trifluoromethyl)-1,4-dioxane, 1,1,1,2,3,3-hexafluoro-2,3-bis(pentafluoroethoxy)propane,1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)-2-(trifluoromethoxy)propane, 1,1,1,2,3,3-hexafluoro-2…


cas: 161075-05-4
dtxsid: DTXSID70883084
norman_susdat_id: NS00111358
name:
Ethene, tetrafluoro-, oxidized, polymd., reduced, Me esters, reaction products with ammonia, reduced


cas: 161075-06-5
dtxsid: DTXSID20883039
norman_susdat_id: NS00109641
name:
1,2-Ethanediamine, compounds, reaction products with Me esters of reduced polymd. oxidized tetrafluoroethylene


cas: 161075-07-6
dtxsid: DTXSID50883002
norman_susdat_id: NS00110665
name:
1-Propanamine, 3-(triethoxysilyl)-, reaction products with Me esters of reduced polymd. oxidized tetrafluoroethylene


cas: 161075-08-7
dtxsid: DTXSID70897686
norman_susdat_id: NS00111545
name:
Oxirane, (chloromethyl)-, reaction products with reduced Me esters of reduced polymd. oxidized tetrafluoroethylene


cas: 161075-09-8
dtxsid: DTXSID40897698
norman_susdat_id: NS00110515
name:
Oxiranemethanol, reaction products with reduced Me esters of reduced polymd. oxidized tetrafluoroethylene


cas: 161075-10-1
dtxsid: DTXSID60897695
norman_susdat_id: NS00111194
name:
Oxirane, methyl-, reaction products with reduced Me esters of reduced polymd. oxidized tetrafluoroethylene


cas: 161075-13-4
dtxsid: DTXSID70883069
norman_susdat_id: NS00111357
name:
Ethene, tetrafluoro-, oxidized, polymd., reduced, Me esters, reaction products with ammonia, dehydrated


cas: 161075-35-0
dtxsid: DTXSID30883060
norman_susdat_id: NS00109988
name:
Alanine, 2-methyl-N-(1-oxo-2-propenyl)-, perfluoro-.omega.-[(perfluoro-C1-8-alkyl)oxy]-C3-12-alkyl esters


cas: 161075-39-4
dtxsid: DTXSID00882949
norman_susdat_id: NS00108920
name:
Alcohols, C12-26-secondary, .gamma.-.omega.-perfluoro, ethoxylated  (2-Perfluoroalkyl(C9-23)-1-methylethyl polyoxyethylene ether)


name: N,N'-(Methylenedi-4,1-phenylene)bis(stearamide)
cas: 16108-98-8
chemspiderid: 76918
dtxsid: DTXSID30167059
formula: C49H82N2O2
inchikey: ALQJVDUHVONSKS-UHFFFAOYSA-N
norman_susdat_id: NS00025253
pubchem_cid: 85288
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCCCCCCCCCCCCCC)cc2)cc1
inchi:
InChI=1S/C49H82N2O2/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/h35-42H,3-34,43H2,1-2H3,(H,50,52)(H,51,53)


cas: 16109-97-0
formula: C31H34N2O6S2
inchikey: FBOFCSLSBCNGMH-UHFFFAOYSA-M
norman_susdat_id: NS00087254
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3cc(cc4cc(ccc34)S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Hydrogen [4-[4-(diethylamino)-a-(3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium

inchi:
InChI=1/C31H34N2O6S2/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39)/p-1


name: 4,5,6,7-Tetrafluoro-3-(nonafluorobutyl)-1H-indazole
cas: 1610931-28-6
dtxsid: DTXSID20896220
formula: C11HF13N2
inchikey: PCLWKPYPGDOCHW-UHFFFAOYSA-N
norman_susdat_id: NS00109744
smiles: Fc1c2Nnc(c2c(F)c(F)c1F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11HF13N2/c12-2-1-6(5(15)4(14)3(2)13)25-26-7(1)8(16,17)9(18,19)10(20,21)11(22,23)24/h(H,25,26)


name: 8:2 fluorotelomer unsaturated carboxylic acid
cas: 161094-76-4
chemspiderid: 9907905
dtxsid: DTXSID001019143
formula: C10H2F16O2
inchikey: WHZXTVOEGZRRJM-UPHRSURJSA-N
norman_susdat_id: NS00000373
pubchem_cid: 11733192
smiles: FC(F)(C(/F)=C/C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H2F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H,(H,27,28)/b2-1-


cas: 1611-35-4
chemspiderid: 65838
dtxsid: DTXSID1061819
formula: C31H32N2O13S1
inchikey: ORZHVTYKPFFVMG-UHFFFAOYSA-N
norman_susdat_id: NS00025256
pubchem_cid: 73041
smiles: Cc1c(O)c(CN(CC(=O)O)CC(=O)O)cc(c1)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c1
name:
Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

inchi:
InChI=1S/C31H32N2O13S/c1-17-7-21(9-19(29(17)42)11-32(13-25(34)35)14-26(36)37)31(23-5-3-4-6-24(23)47(44,45)46-31)22-8-18(2)30(43)20(10-22)12-33(15-27(38)39)16-28(40)41/h3-10,42-43H,11-16H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)(H,40,41)


name: Paracetamol-Glukuronid
cas: 16110-10-4
chebiid: CHEBI:32636
chemspiderid: 75744
formula: C14H17N1O8
inchikey: IPROLSVTVHAQLE-BYNIDDHOSA-N
norman_susdat_id: NS00006214
pubchem_cid: 83944
smiles: CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1
inchi:
InChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1


name: Cromolyn
cas: 16110-51-3
chebiid: CHEBI:59773
chemspiderid: 2779
dtxsid: DTXSID4022860
formula: C23H16O11
inchikey: IMZMKUWMOSJXDT-UHFFFAOYSA-N
norman_susdat_id: NS00006731
pubchem_cid: 2882
smiles: OC(COc1cccc2oc(cc(=O)c12)C(O)=O)COc1cccc2oc(cc(=O)c12)C(O)=O
inchi:
InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30)


name: Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-
cas: 16110-89-7
chemspiderid: 25759
dtxsid: DTXSID2066012
formula: C9H6Cl2N4O3S1
inchikey: JDBGDMZILOWAHV-UHFFFAOYSA-N
norman_susdat_id: NS00005709
pubchem_cid: 27687
smiles: OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
inchi:
InChI=1S/C9H6Cl2N4O3S/c10-7-13-8(11)15-9(14-7)12-5-1-3-6(4-2-5)19(16,17)18/h1-4H,(H,16,17,18)(H,12,13,14,15)


name: Peroxydicarbonic acid, bis(2-ethylhexyl) ester
cas: 16111-62-9
chemspiderid: 77544
dtxsid: DTXSID5027778
formula: C18H34O6
inchikey: ZACVGCNKGYYQHA-UHFFFAOYSA-N
norman_susdat_id: NS00001067
pubchem_cid: 85963
smiles: CCCCC(CC)COC(=O)OOC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C18H34O6/c1-5-9-11-15(7-3)13-21-17(19)23-24-18(20)22-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3


name: Desisobuturyl Ciclesonide
cas: 161115-59-9
chemspiderid: 5293487
formula: C28H38O6
inchikey: OXPLANUPKBHPMS-UHFFFAOYSA-N
norman_susdat_id: NS00040616
pubchem_cid: 6918281
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC1OC(OC21C(=O)CO)C1CCCCC1
inchi:
InChI=1S/C28H38O6/c1-26-11-10-18(30)12-17(26)8-9-19-20-13-23-28(22(32)15-29,27(20,2)14-21(31)24(19)26)34-25(33-23)16-6-4-3-5-7-16/h10-12,16,19-21,23-25,29,31H,3-9,13-15H2,1-2H3


cas: 1611493-60-7
chebiid: CHEBI:172943
formula: C21H18F3N3O5
inchikey: SOLUWJRYJLAZCX-LYOVBCGYSA-N
norman_susdat_id: NS00073631
pubchem_cid: 90311989
smiles: O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2
name:
5-hydroxy-3,6-dioxo-n-[(2,4,6-trifluorophenyl)methyl]-12-oxa-2,9-diazatetracyclo[11.2.1.0²,¹¹.0?,?]hexadeca-4,7-diene-7-carboxamide

inchi:
InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16+/m0/s1


name: Etalocib
cas: 161172-51-6
dtxsid: DTXSID70167073
formula: C33H33FO6
inchikey: YFIZRWPXUYFCSN-UHFFFAOYSA-N
norman_susdat_id: NS00069592
pubchem_cid: 177941
smiles: CCCc1c(OCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O
inchi:
InChI=1S/C33H33FO6/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)


name: Lubazodone
cas: 161178-10-5
dtxsid: DTXSID30167074
formula: C14H18FNO2
inchikey: HTODIQZHVCHVGM-JTQLQIEISA-N
norman_susdat_id: NS00069247
pubchem_cid: 157919
smiles: Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCC2
inchi:
InChI=1S/C14H18FNO2/c15-13-4-5-14(12-3-1-2-11(12)13)18-9-10-8-16-6-7-17-10/h4-5,10,16H,1-3,6-9H2/t10-/m0/s1


name: Carbetamide
cas: 16118-49-3
chemspiderid: 391366
dtxsid: DTXSID7041756
formula: C12H16N2O3
inchikey: AMRQXHFXNZFDCH-UHFFFAOYSA-N
norman_susdat_id: NS00008830
pubchem_cid: 443067
smiles: CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1
eea_notation: CAS_16118-49-3
inchi:
InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)


name: 21-hydroxy-2'-methyl-16-ß-5'H-pregna-1,4,9(11)-trieno[17,16-d]oxazole-3,20-dione 21-acetate
cas: 16119-56-5
dtxsid: DTXSID50936466
formula: C25H29NO5
inchikey: WMPWEDBGNZYKAO-UHFFFAOYSA-N
norman_susdat_id: NS00054368
pubchem_cid: 85964
smiles: O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CC5OC(=NC54C(=O)COC(=O)C)C)C
inchi:
InChI=1/C25H29NO5/c1-14-26-25(21(29)13-30-15(2)27)22(31-14)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h7-9,11,18,20,22H,5-6,10,12-13H2,1-4H3


name: Menadiol sodium sulfate
cas: 1612-30-2
formula: C11H10O8S2
inchikey: VIXBZWJMHHVLBT-UHFFFAOYSA-L
norman_susdat_id: NS00046483
pubchem_cid: 71102
smiles: [Na+].[Na+].O=S(=O)([O-])OC1=CC(=C(OS(=O)(=O)[O-])C=2C=CC=CC12)C
inchi:
InChI=1/C11H10O8S2.2Na/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17;;/h2-6H,1H3,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 2-[p-(Dimethylamino)styryl]quinoline
cas: 1612-64-2
chemspiderid: 66775
dtxsid: DTXSID0061820
formula: C19H18N2
inchikey: YMIKUHVSRFHPOP-UHFFFAOYSA-N
norman_susdat_id: NS00025260
pubchem_cid: 74165
smiles: CN(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1
inchi:
InChI=1S/C19H18N2/c1-21(2)18-13-8-15(9-14-18)7-11-17-12-10-16-5-3-4-6-19(16)20-17/h3-14H,1-2H3/b11-7+


cas: 161212-10-8
dtxsid: DTXSID10897685
norman_susdat_id: NS00109480
name:
Methanol, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer, reduced


cas: 161212-12-0
dtxsid: DTXSID00897699
norman_susdat_id: NS00109118
name:
Hexanoic acid, 6-amino-, reaction products with reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 161212-13-1
dtxsid: DTXSID30897687
norman_susdat_id: NS00110170
name:
Methanol, reaction products with diethylenetriamine and reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 161212-14-2
dtxsid: DTXSID50897689
norman_susdat_id: NS00110851
name:
Ethanol, 2-amino-, reaction products with methanol and reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 161212-15-3
dtxsid: DTXSID90897683
norman_susdat_id: NS00112230
name:
Ethanol, 2,2'-iminobis-, reaction products with methanol and reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 161212-16-4
dtxsid: DTXSID80897637
norman_susdat_id: NS00111877
name:
Acetyl chloride, chloro-, reaction products with propylene oxide, pyridine and reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction product


cas: 161212-18-6
dtxsid: DTXSID30897682
norman_susdat_id: NS00110169
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, oxidized, polymd., telomers with chlorine, reduced, reaction products with ammonia


cas: 161212-19-7
dtxsid: DTXSID20897671
norman_susdat_id: NS00109830
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, oxidized, polymd., telomers with chlorine, reduced, reaction products with ammonia, reduced


cas: 161212-20-0
dtxsid: DTXSID00897634
norman_susdat_id: NS00109111
name:
2-Propenoic acid, 2-methyl-, anhydride, reaction products with reduced methanol-reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer reaction products


cas: 161212-21-1
dtxsid: DTXSID40897653
norman_susdat_id: NS00110510
name:
Methanol, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer and 3-(triethoxysilyl)-1-propanamine


cas: 161212-22-2
dtxsid: DTXSID50897669
norman_susdat_id: NS00110849
name:
Methanol, reaction products with 1-octadecanamine and reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-23-3
dtxsid: DTXSID00897694
norman_susdat_id: NS00109117
name:
Methanol, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-24-4
dtxsid: DTXSID90897648
norman_susdat_id: NS00112227
name:
Methanol, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer, reduced, reaction products with epichlorohydrin


cas: 161212-25-5
dtxsid: DTXSID60897670
norman_susdat_id: NS00111191
name:
Methanol, reaction products with ethylenediamine and reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-26-6
dtxsid: DTXSID20897696
norman_susdat_id: NS00109833
name:
Glycine, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-27-7
dtxsid: DTXSID80897677
norman_susdat_id: NS00111881
name:
Hexanoic acid, 6-amino-, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-28-8
dtxsid: DTXSID30897667
norman_susdat_id: NS00110168
name:
Ethanol, 2-amino-, reaction products with methanol and reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer


cas: 161212-29-9
dtxsid: DTXSID70897666
norman_susdat_id: NS00111543
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, oxidized, polymd., telomers with chlorine, reduced, reaction products with ammonia, dehydrated


name: (Z)-3,6-dioxo-1,1,1,8,8,8-hexaphenyl-2,7-dioxa-1,8-distannaoct-4-ene
cas: 16122-27-3
formula: C40H32O4Sn2
inchikey: IOMRUDPZPOVCQZ-JRKBNQMXSA-L
norman_susdat_id: NS00055289
pubchem_cid: NA
smiles: O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C=CC(=O)O[Sn](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/6C6H5.C4H4O4.2Sn/c6*1-2-4-6-5-3-1;5-3(6)1-2-4(7)8;;/h6*1-5H;1-2H,(H,5,6)(H,7,8);;/q;;;;;;;2*+1/p-2/rC40H32O4Sn2/c41-39(43-45(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)31-32-40(42)44-46(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-32H


name: [N(E),S(S)]-N-phenylmethyleneperfluorobutanesulfinamide
cas: 1612778-34-3
dtxsid: DTXSID10897024
formula: C11H6F9NOS
inchikey: IPFAAVDLIDTUNL-JZLKGKFRSA-N
norman_susdat_id: NS00109458
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=CC=C1
inchi:
InChI=1S/C11H6F9NOS/c12-8(13,10(16,17)18)9(14,15)11(19,20)23(22)21-6-7-4-2-1-3-5-7/h1-6H/b21-6+/t23-/m0/s1


name: [N(E),S(S)]-N-(4-chlorophenyl)methyleneperfluorobutanesulfinamide
cas: 1612778-35-4
dtxsid: DTXSID90897047
formula: C11H5ClF9NOS
inchikey: MGQRMTIVHOQHJI-WDTQFDANSA-N
norman_susdat_id: NS00112210
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=C(Cl)C=C1
inchi:
InChI=1S/C11H5ClF9NOS/c12-7-3-1-6(2-4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1


name: [N(E),S(S)]-N-(4-nitrophenyl)methyleneperfluorobutanesulfinamide
cas: 1612778-37-6
dtxsid: DTXSID80897051
formula: C11H5F9N2O3S
inchikey: GYLVKWUPZMTHBJ-UZCWWPNHSA-N
norman_susdat_id: NS00111858
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=C(C=C1)[N+]([O-])=O
inchi:
InChI=1S/C11H5F9N2O3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)26(25)21-5-6-1-3-7(4-2-6)22(23)24/h1-5H/b21-5+/t26-/m0/s1


name: [N(E),S(S)]-N-(4-methylphenyl)methyleneperfluorobutanesulfinamide
cas: 1612778-39-8
dtxsid: DTXSID70897025
formula: C12H8F9NOS
inchikey: BJMMKNXYPAYRHL-SNWFQCDXSA-N
norman_susdat_id: NS00111521
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=C(C)C=C1
inchi:
InChI=1S/C12H8F9NOS/c1-7-2-4-8(5-3-7)6-22-24(23)12(20,21)10(15,16)9(13,14)11(17,18)19/h2-6H,1H3/b22-6+/t24-/m0/s1


name: [N(E),S(S)]-N-(2-Fluorophenyl)methyleneperfluorobutanesulfinamide
cas: 1612778-40-1
dtxsid: DTXSID20897050
formula: C11H5F10NOS
inchikey: SKRZJWSQDLAOAY-WDTQFDANSA-N
norman_susdat_id: NS00109804
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=C(F)C=CC=C1
inchi:
InChI=1S/C11H5F10NOS/c12-7-4-2-1-3-6(7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1


name: [N(E),S(S)]-N-(3-Fluorophenyl)methyleneperfluorobutanesulfinamide
cas: 1612778-41-2
dtxsid: DTXSID50897048
formula: C11H5F10NOS
inchikey: YFLVIEFTGMOWIU-WDTQFDANSA-N
norman_susdat_id: NS00110832
smiles: [H]C(=N/[S@@](=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC(F)=CC=C1
inchi:
InChI=1S/C11H5F10NOS/c12-7-3-1-2-6(4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/b22-5+/t24-/m0/s1


cas: 161278-39-3
dtxsid: DTXSID10882950
norman_susdat_id: NS00109282
name:
Poly(difluoromethylene), .alpha.-[2-[[[3-[(carboxymethyl)dimethylammonio]propyl]amino]sulfonyl]ethyl]-.omega.-fluoro-, inner salt


cas: 161278-44-0
dtxsid: DTXSID50882994
norman_susdat_id: NS00110663
name:
Hexafluoropropene, oligomeric reaction products with tetrafluoroethylene, telomers with pentafluoroethyl hypofluorite


cas: 161278-45-1
dtxsid: DTXSID30882896
norman_susdat_id: NS00109972
name:
Hexafluoropropene, oligomeric reaction products with 1,1-difluoroethylene and tetrafluoroethylene, telomers with trifluoromethyl hypofluorite


name: Dipalmitoylethyl hydroxyethylmonium methosulfate
cas: 161294-46-8
dtxsid: DTXSID60167103
formula: C40H81NO9S
inchikey: WQMJXFAFCDSZKC-UHFFFAOYSA-M
norman_susdat_id: NS00114373
inchi:
InChI=1S/C39H78NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(42)44-36-33-40(3,32-35-41)34-37-45-39(43)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h41H,4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 161308-17-4
dtxsid: DTXSID10897701
norman_susdat_id: NS00109481
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, oxidized, polymd., reduced, reaction products with ammonia, reduced


cas: 161308-18-5
dtxsid: DTXSID80897632
norman_susdat_id: NS00111876
name:
2-Propenoic acid, 2-methyl-, anhydride, reaction products with ethylene oxide and reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction products


cas: 161308-19-6
dtxsid: DTXSID50897649
norman_susdat_id: NS00110847
name:
2-Propenoic acid, 2-methyl-, anhydride, reaction products with reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction products


cas: 161308-20-9
dtxsid: DTXSID00897674
norman_susdat_id: NS00109115
name:
Methanol, reaction products with reduced polymd. oxidized 1,1,2,3,3-hexafluoro-1-propene and 3-(triethoxysilyl)-1-propanamine


cas: 161308-21-0
dtxsid: DTXSID00897679
norman_susdat_id: NS00109116
name:
Methanol, reaction products with 1-octadecanamine and hydrolyzed reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 161308-23-2
dtxsid: DTXSID80897697
norman_susdat_id: NS00111883
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, oxidized, polymd., reduced, reaction products with ammonia, dehydrated


cas: 161308-24-3
dtxsid: DTXSID00897659
norman_susdat_id: NS00109114
name:
Methanol, reaction products with reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene, reduced, reaction products with epichlorohydrin


cas: 161308-25-4
dtxsid: DTXSID80897692
norman_susdat_id: NS00111882
name:
Methanol, reaction products with ethylenediamine and reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


cas: 1613081-64-3
formula: C49H55FN10O7S
inchikey: AXWDHVUJXNOWCC-RAEGKSCOSA-N
norman_susdat_id: NS00073625
pubchem_cid: 91936863
name:
Methyl n-[1-(2-{5-[9-(2-cyclopropyl-1,3-thiazol-5-yl)-3-fluoro-5-[2-(1-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl)-1h-imidazol-5-yl]-8-oxa-10-azatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-14-yl]-1h-imidazol-2-yl}pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate

inchi:
InChI=1S/C49H55FN10O7S/c1-24(2)40(56-48(63)65-5)45(61)58-15-7-9-34(58)42-51-21-31(54-42)27-13-14-33-29(17-27)19-36-39-30(50)18-28(20-37(39)67-47(60(33)36)38-23-53-44(68-38)26-11-12-26)32-22-52-43(55-32)35-10-8-16-59(35)46(62)41(25(3)4)57-49(64)66-6/h13-14,17-26,34-35,40-41,47H,7-12,15-16H2,1-6H3,(H,51,54)(H,52,55)(H,56,63)(H,57,64)/t34-,35-,40-,41-,47-/m0/s1

smiles:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H](c2cnc(C4CC4)s2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C


name: N-isobutyl-n-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
cas: 161314-17-6
formula: C13H20N2O5S
inchikey: JIRXORZYIXSWOB-UHFFFAOYSA-N
norman_susdat_id: NS00069310
pubchem_cid: 448002
smiles: COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1
inchi:
InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)


name: Cgs-27023a
cas: 161314-70-1
formula: C18H23N3O5S
inchikey: BSIZUMJRKYHEBR-QGZVFWFLSA-N
norman_susdat_id: NS00070201
pubchem_cid: 446504
smiles: COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@@H](C(=O)NO)C(C)C)cc1
inchi:
InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1


name: Fenamidone
cas: 161326-34-7
chebiid: CHEBI:83258
chemspiderid: 8578637
dtxsid: DTXSID2034590
formula: C17H17N3O1S1
inchikey: LMVPQMGRYSRMIW-KRWDZBQOSA-N
norman_susdat_id: NS00000492
pubchem_cid: 10403199
smiles: O=C2N(Nc1ccccc1)C(SC)=N/[C@]2(c3ccccc3)C
inchi:
InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1


name: Caspase Inhibitor VI
cas: 161401-82-7
dtxsid: DTXSID20420584
formula: C21H28FN3O7
inchikey: SUUHZYLYARUNIA-YEWWUXTCSA-N
norman_susdat_id: NS00071774
pubchem_cid: 5497171
smiles: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CF
inchi:
InChI=1S/C21H28FN3O7/c1-12(2)18(25-21(31)32-11-14-7-5-4-6-8-14)20(30)23-13(3)19(29)24-15(9-17(27)28)16(26)10-22/h4-8,12-13,15,18H,9-11H2,1-3H3,(H,23,30)(H,24,29)(H,25,31)(H,27,28)/t13-,15-,18-/m0/s1


name: 2-[4-(2-[1,1'-biphenyl]-4-ylvinyl)phenyl]benzoxazole
cas: 16143-15-0
dtxsid: DTXSID90936526
formula: C27H19NO
inchikey: WTYIOUUBRHRFOP-ZHACJKMWSA-N
norman_susdat_id: NS00053930
pubchem_cid: 6537950
smiles: N1=C(OC=2C=CC=CC12)C3=CC=C(C=CC=4C=CC(=CC4)C=5C=CC=CC5)C=C3
inchi:
InChI=1/C27H19NO/c1-2-6-22(7-3-1)23-16-12-20(13-17-23)10-11-21-14-18-24(19-15-21)27-28-25-8-4-5-9-26(25)29-27/h1-19H


name: 2-[4-(2-[1,1'-biphenyl]-4-ylvinyl)phenyl]-5-tert-butylbenzoxazole
cas: 16143-18-3
dtxsid: DTXSID7066015
formula: C31H27NO
inchikey: SZWQPAIKUHNUMM-MDZDMXLPSA-N
norman_susdat_id: NS00055290
pubchem_cid: 6537951
smiles: N1=C(OC2=CC=C(C=C12)C(C)(C)C)C=3C=CC(C=CC=4C=CC(=CC4)C=5C=CC=CC5)=CC3
inchi:
InChI=1/C31H27NO/c1-31(2,3)27-19-20-29-28(21-27)32-30(33-29)26-17-13-23(14-18-26)10-9-22-11-15-25(16-12-22)24-7-5-4-6-8-24/h4-21H,1-3H3


name: 1,3-dihydro-1-[1-benzyl-4-piperidinyl]-2H-benzimidazol-2-one
cas: 16148-06-4
dtxsid: DTXSID80936535
formula: C19H21N3O
inchikey: WMPRRSYNQDCNCE-UHFFFAOYSA-N
norman_susdat_id: NS00053931
pubchem_cid: 416359
smiles: O=C1NC=2C=CC=CC2N1C3CCN(CC=4C=CC=CC4)CC3
inchi:
InChI=1/C19H21N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,20,23)


name: Acetophenone, 2',2'''-(2-hydroxytrimethylenedioxy)bis(6-hydroxy-
cas: 16150-44-0
chemspiderid: 76932
dtxsid: DTXSID60167163
formula: C19H20O7
inchikey: RUOPAUDVYRHXDB-UHFFFAOYSA-N
norman_susdat_id: NS00003132
pubchem_cid: 85303
smiles: CC(=O)c1c(O)cccc1OCC(O)COc1cccc(O)c1C(C)=O
inchi:
InChI=1S/C19H20O7/c1-11(20)18-14(23)5-3-7-16(18)25-9-13(22)10-26-17-8-4-6-15(24)19(17)12(2)21/h3-8,13,22-24H,9-10H2,1-2H3


name: Cromophene
cas: 16150-45-1
chemspiderid: 176977
dtxsid: DTXSID20167164
formula: C27H24O11
inchikey: KRBBSLDXYDBFEC-UHFFFAOYSA-N
norman_susdat_id: NS00008787
pubchem_cid: 204318
smiles: CCOC(=O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(cc(=O)c34)C(=O)OCC)cccc2o1
inchi:
InChI=1S/C27H24O11/c1-3-33-26(31)22-11-16(29)24-18(7-5-9-20(24)37-22)35-13-15(28)14-36-19-8-6-10-21-25(19)17(30)12-23(38-21)27(32)34-4-2/h5-12,15,28H,3-4,13-14H2,1-2H3


name: 9-Chloro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-valerate
cas: 16154-10-2
chemspiderid: 18512938
dtxsid: DTXSID30167190
formula: C27H37Cl1O5
inchikey: UTBUEROVEKAUST-VADKKIFPSA-N
norman_susdat_id: NS00025268
pubchem_cid: 22797609
smiles: CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC12C)C(=O)C
inchi:
InChI=1S/C27H37ClO5/c1-6-7-8-23(32)33-27(17(3)29)16(2)13-21-20-10-9-18-14-19(30)11-12-24(18,4)26(20,28)22(31)15-25(21,27)5/h11-12,14,16,20-22,31H,6-10,13,15H2,1-5H3/t16-,20-,21+,22-,24+,25+,26+,27-/m1/s1


name: 2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino[3,2,1-jk]carbazole monohydrochloride
cas: 16154-78-2
formula: C15H18N2
inchikey: LIFOOCLGAAEVIF-UHFFFAOYSA-N
norman_susdat_id: NS00053511
pubchem_cid: 68802
smiles: Cl.C1=CC2=C(C=C1C)C3=C4N2CCNC4CCC3
inchi:
InChI=1/C15H18N2.ClH/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13;/h5-6,9,13,16H,2-4,7-8H2,1H3;1H


name: Ro 48-8071
cas: 161582-11-2
chebiid: CHEBI:101064
chemspiderid: 1873
formula: C23H27Br1F1N1O2
inchikey: CMYCCJYVZIMDFU-UHFFFAOYSA-N
norman_susdat_id: NS00018037
pubchem_cid: 1949
smiles: CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C
inchi:
InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3


name: 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine
cas: 161599-46-8
chemspiderid: 9984300
dtxsid: DTXSID40167207
formula: C13H16F1N3O6
inchikey: NWJBWNIUGNXJGO-RPULLILYSA-N
norman_susdat_id: NS00000422
pubchem_cid: 11809635
smiles: FC=1C(=N/C(=O)N(C=1)[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H]2OC(=O)C)C)N
inchi:
InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1


name: Netoglitazone
cas: 161600-01-7
dtxsid: DTXSID5043712
formula: C21H16FNO3S
inchikey: PKWDZWYVIHVNKS-IBGZPJMESA-N
norman_susdat_id: NS00069157
pubchem_cid: 40462254
smiles: O=C1NC(=O)[C@H](Cc2ccc3cc(OCc4ccccc4F)ccc3c2)S1
inchi:
InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)/t19-/m0/s1


name: Fanapanel
cas: 161605-73-8
dtxsid: DTXSID7046093
formula: C14H15F3N3O6P
inchikey: WZMQMKNCWDCCMT-UHFFFAOYSA-N
norman_susdat_id: NS00068790
pubchem_cid: 208953
smiles: O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O
inchi:
InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)


name: UR-144 N-Heptyl analog
cas: 1616469-06-7
chemspiderid: 29341461
formula: C23H33N1O1
inchikey: VMYRYXPWWCSDCO-UHFFFAOYSA-N
norman_susdat_id: NS00017639
pubchem_cid: 118796527
smiles: CCCCCCCN1C=C(C2=CC=CC=C21)C(=O)C3C(C3(C)C)(C)C
inchi:
InChI=1S/C23H33NO/c1-6-7-8-9-12-15-24-16-18(17-13-10-11-14-19(17)24)20(25)21-22(2,3)23(21,4)5/h10-11,13-14,16,21H,6-9,12,15H2,1-5H3


name: XLR11 Degradant
cas: 1616469-09-0
chemspiderid: 29341587
formula: C21H28F1N1O1
inchikey: BEZVSTOQIZTNCK-UHFFFAOYSA-N
norman_susdat_id: NS00017938
pubchem_cid: 90464182
smiles: CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
inchi:
InChI=1S/C21H28FNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3


name: N,N-dibutyl-12-hydroxyoctadecan-1-amide
cas: 16169-48-5
dtxsid: DTXSID80936570
formula: C26H53NO2
inchikey: DZJSNRMJNYRMAG-UHFFFAOYSA-N
norman_susdat_id: NS00053970
pubchem_cid: 85969
smiles: O=C(N(CCCC)CCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C26H53NO2/c1-4-7-10-17-20-25(28)21-18-15-13-11-12-14-16-19-22-26(29)27(23-8-5-2)24-9-6-3/h25,28H,4-24H2,1-3H3


name: N-Demethyl Olanzapine
cas: 161696-76-0
chebiid: CHEBI:168745
chemspiderid: 13394133
dtxsid: DTXSID30433226
formula: C16H18N4S1
inchikey: FHPIXVHJEIZKJW-UHFFFAOYSA-N
norman_susdat_id: NS00005203
pubchem_cid: NA
smiles: Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
inchi:
InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3


name: Lup-20(29)-en-3-ol, acetate, (3ß)-
cas: 1617-68-1
chebiid: CHEBI:69744
dtxsid: DTXSID70936584
formula: C32H52O2
inchikey: ODSSDTBFHAYYMD-YOJQYFTNSA-N
norman_susdat_id: NS00045939
pubchem_cid: 92157
smiles: O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)C
inchi:
InChI=1/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3


name: Vincamine
cas: 1617-90-9
chebiid: CHEBI:9985
chemspiderid: 14635
dtxsid: DTXSID9040134
formula: C21H26N2O3
inchikey: RXPRRQLKFXBCSJ-GIVPXCGWSA-N
norman_susdat_id: NS00006858
pubchem_cid: 15376
smiles: CC[C@@]12CCCN3CCc4c([C@H]13)n(c1ccccc41)[C@](O)(C2)C(=O)OC
inchi:
InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1


name: 1,2-Ethanediamine, N,N'-dioctyl-N-[2-(octylamino)ethyl]-
cas: 16171-74-7
chemspiderid: 76942
dtxsid: DTXSID6066020
formula: C28H61N3
inchikey: RFINSRZFFYSEDU-UHFFFAOYSA-N
norman_susdat_id: NS00025273
pubchem_cid: 85313
smiles: CCCCCCCCNCCN(CCCCCCCC)CCNCCCCCCCC
inchi:
InChI=1S/C28H61N3/c1-4-7-10-13-16-19-22-29-24-27-31(26-21-18-15-12-9-6-3)28-25-30-23-20-17-14-11-8-5-2/h29-30H,4-28H2,1-3H3


name: 5-Butyl-5-ethyl-2-(2,4,6-tri-tert-butylphenoxy)-1,3,2-dioxaphosphinane
cas: 161717-32-4
chemspiderid: 9136585
dtxsid: DTXSID7051767
formula: C27H47O3P1
inchikey: HVDJXXVDNDLBQY-UHFFFAOYSA-N
norman_susdat_id: NS00007582
pubchem_cid: 10961369
smiles: CCCCC1(CC)COP(Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)OC1
inchi:
InChI=1S/C27H47O3P/c1-12-14-15-27(13-2)18-28-31(29-19-27)30-23-21(25(6,7)8)16-20(24(3,4)5)17-22(23)26(9,10)11/h16-17H,12-15,18-19H2,1-11H3


name: Adenosine 5'-(trihydrogen diphosphate), disodium salt
cas: 16178-48-6
formula: C10H15N5O10P2.2Na
inchikey: ORKSTPSQHZNDSC-UHFFFAOYSA-L
norman_susdat_id: NS00087517
smiles: Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O
inchi:
InChI=1/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/rC10H13N5Na2O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(18)4(24-10)1-23-29(22,26-17)27-28(20,21)25-16/h2-4,6-7,10,18-19H,1H2,(H,20,21)(H2,11,12,13)


name: Esomeprazole potassium
cas: 161796-84-5
dtxsid: DTXSID20167240
formula: C17H18KN3O3S
inchikey: FOFFPEFVSRGLOZ-JIDHJSLPSA-N
norman_susdat_id: NS00076207
smiles: [K+].COC1=CC2=C([N-]C(=N2)[S@@](=O)CC2=NC=C(C)C(OC)=C2C)C=C1
inchi:
InChI=1S/C17H18N3O3S.K/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m0./s1


name: Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
cas: 161798-03-4
chemspiderid: 9079418
dtxsid: DTXSID90447849
formula: C18H21N1O4S1
inchikey: AIQMFFCWDAIGNV-UHFFFAOYSA-N
norman_susdat_id: NS00008294
pubchem_cid: 10904158
smiles: CCOC(=O)c1sc(nc1C)-c1ccc(OCC(C)C)c(C=O)c1
inchi:
InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3


name: Amprenavir
cas: 161814-49-9
chebiid: CHEBI:40050
chemspiderid: 58532
dtxsid: DTXSID5046061
formula: C25H35N3O6S1
inchikey: YMARZQAQMVYCKC-OEMFJLHTSA-N
norman_susdat_id: NS00004082
pubchem_cid: 65016
smiles: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1


name: Talampanel
cas: 161832-65-1
chebiid: CHEBI:34992
dtxsid: DTXSID10167259
formula: C19H19N3O3
inchikey: JACAAXNEHGBPOQ-LLVKDONJSA-N
norman_susdat_id: NS00069335
pubchem_cid: 164509
smiles: CC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3
inchi:
InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1


name: Hydroxyvalerenic acid
cas: 1619-16-5
chemspiderid: 158200
dtxsid: DTXSID8033564
formula: C15H22O3
inchikey: XJNQXTISSHEQKD-UNXUOHHUSA-N
norman_susdat_id: NS00025280
pubchem_cid: 6537505
smiles: C[C@@H]1CC[C@@H](/C=C(C)/C(=O)O)C2=C(C)C[C@@H](O)[C@H]12
inchi:
InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1


cas: 16195-23-6
dtxsid: DTXSID6066022
formula: C32H26N4O5
inchikey: HTIYWMBRMPXSEQ-UHFFFAOYSA-N
norman_susdat_id: NS00054836
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC=5C=CC=CC5OC)=C2
name:
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-

inchi:
InChI=1/C32H26N4O5/c1-40-27-15-9-8-14-25(27)34-32(39)24-18-20-10-6-7-13-23(20)29(30(24)37)36-35-26-19-21(16-17-28(26)41-2)31(38)33-22-11-4-3-5-12-22/h3-19,37H,1-2H3,(H,33,38)(H,34,39)


name: 1-[(5a,7a)-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl]ethanone
cas: 16196-82-0
dtxsid: DTXSID40936617
formula: C23H29NO4
inchikey: KRWAWNXEYPCCLG-LLGZQOTFSA-N
norman_susdat_id: NS00053906
pubchem_cid: 85327
smiles: O=C(C)C1CC23CCC1(OC)C4OC=5C(OC)=CC=C6C5C43CCN(C)C2C6
inchi:
InChI=1/C23H29NO4/c1-13(25)15-12-21-7-8-23(15,27-4)20-22(21)9-10-24(2)17(21)11-14-5-6-16(26-3)19(28-20)18(14)22/h5-6,15,17,20H,7-12H2,1-4H3


name: 6-(Perfluorohexyl)hexanol
cas: 161981-35-7
chemspiderid: 2056487
dtxsid: DTXSID50379859
formula: C12H13F13O1
inchikey: PYOIUKBYPXQLLT-UHFFFAOYSA-N
norman_susdat_id: NS00018804
pubchem_cid: 2776165
smiles: OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H13F13O/c13-7(14,5-3-1-2-4-6-26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,1-6H2


name: 2-(hexahydro-1H-azepin-1-yl)ethyl a-cyclohexylthiophen-2-acetate hydrochloride
cas: 16199-90-9
dtxsid: DTXSID90936622
formula: C20H31NO2S
inchikey: GPVHNKKIONSRGW-UHFFFAOYSA-N
norman_susdat_id: NS00053514
pubchem_cid: 44150643
smiles: Cl.O=C(OCCN1CCCCCC1)C(C=2SC=CC2)C3CCCCC3
inchi:
InChI=1/C20H31NO2S.ClH/c22-20(23-15-14-21-12-6-1-2-7-13-21)19(18-11-8-16-24-18)17-9-4-3-5-10-17;/h8,11,16-17,19H,1-7,9-10,12-15H2;1H


name: Phenol, 2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-
cas: 1620-68-4
chemspiderid: 66790
dtxsid: DTXSID0061824
formula: C23H24O3
inchikey: MAQOZOILPAMFSW-UHFFFAOYSA-N
norman_susdat_id: NS00025292
pubchem_cid: 74181
smiles: Cc1cc(Cc2cc(C)cc(Cc3c(O)ccc(C)c3)c2O)c(O)cc1
inchi:
InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3


name: alpha,alpha'-Thiobis(2,6-di-tert-butyl-p-cresol)
cas: 1620-93-5
chemspiderid: 66793
dtxsid: DTXSID80167286
formula: C30H46O2S1
inchikey: UDFARPRXWMDFQU-UHFFFAOYSA-N
norman_susdat_id: NS00025295
pubchem_cid: 74184
smiles: CC(C)(C)c1cc(CSCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C30H46O2S/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3


name: Rofecoxib
cas: 162011-90-7
chebiid: CHEBI:8887
chemspiderid: 4911
dtxsid: DTXSID2023567
formula: C17H14O4S1
inchikey: RZJQGNCSTQAWON-UHFFFAOYSA-N
norman_susdat_id: NS00003940
pubchem_cid: 5090
smiles: CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
inchi:
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3


name: 1-(4-Amidinophenyl)-3-(4-Chlorophenyl)urea
cas: 162021-00-3
dtxsid: DTXSID80274348
formula: C14H13ClN4O
inchikey: HQWKMDKTTCPCMQ-UHFFFAOYSA-N
norman_susdat_id: NS00068986
pubchem_cid: 2014
smiles: N=C(N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C14H13ClN4O/c15-10-3-7-12(8-4-10)19-14(20)18-11-5-1-9(2-6-11)13(16)17/h1-8H,(H3,16,17)(H2,18,19,20)


name: Anthralin triacetate
cas: 16203-97-7
chemspiderid: 25820
dtxsid: DTXSID20167301
formula: C20H16O6
inchikey: IPWOSICBVUXMML-UHFFFAOYSA-N
norman_susdat_id: NS00025288
pubchem_cid: 27751
smiles: CC(=O)Oc1cccc2cc3cccc(OC(=O)C)c3c(OC(=O)C)c12
inchi:
InChI=1S/C20H16O6/c1-11(21)24-16-8-4-6-14-10-15-7-5-9-17(25-12(2)22)19(15)20(18(14)16)26-13(3)23/h4-10H,1-3H3


cas: 1620400-25-0
dtxsid: DTXSID10882793
norman_susdat_id: NS00109266
name:
Copolymer of octadecyl acrylate, 1,1-dichloroethene, 2,3-epoxypropyl methacrylate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate, 2-hydroxyethyl methacrylate


cas: 1620402-95-0
dtxsid: DTXSID80882765
norman_susdat_id: NS00111669
name:
Copolymer of octadecyl acrylate, 2,4,6-tris(allyloxy)triazine, 2-(3,5-dimethylpyrazole-1-carboxamido)ethyl methacrylate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate


cas: 1620458-09-4
formula: C22H22FN5O7
inchikey: ZSWMIFNWDQEXDT-ZESJGQACSA-N
norman_susdat_id: NS00073429
pubchem_cid: 76685216
smiles: C[C@@H]1O[C@H](C)CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12
name:
17'-fluoro-4',6'-dimethyl-13'-(4-methyl-2-oxo-1,3-oxazolidin-3-yl)-5',15'-dioxa-2',14'-diazaspiro[1,5-diazinane-3,8'-tetracyclo[8.7.0.0²,?.0¹²,¹?]heptadecane]-1'(17'),10',12'(16'),13'-tetraene-2,4,6-trione

inchi:
InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1


name: Stearic acid, compound with triethylamine (1:1)
cas: 16207-83-3
formula: C18H36O2.C6H15N
inchikey: ZDTMSMWYJXKBEB-UHFFFAOYSA-N
norman_susdat_id: NS00086965
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCN(CC)CC
inchi:
InChI=1/C18H36O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7(5-2)6-3/h2-17H2,1H3,(H,19,20);4-6H2,1-3H3


cas: 1620760-72-6
dtxsid: DTXSID80883015
norman_susdat_id: NS00111689
name:
Copolymer of chloroethene, octadecan-1-yl acrylate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-yl methacrylate


name: Disodium 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate
cas: 1621-28-2
formula: C14H6N2O14S2.2Na
inchikey: AEPKLTXDIBOMAI-UHFFFAOYSA-L
norman_susdat_id: NS00080910
inchi:
InChI=1/C14H6N2O14S2.2Na/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]


name: 8-Iso-15-keto-prostaglandin-F2β
cas: 1621482-36-7
chemspiderid: 29341994
formula: C20H32O5
inchikey: LOLJEILMPWPILA-WZDCOHRSSA-N
norman_susdat_id: NS00016935
pubchem_cid: 91885975
smiles: CCCCCC(=O)C=CC1C(CC(C1CC=CCCCC(=O)O)O)O
inchi:
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-19,22-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,18+,19+/m0/s1


name: Tris(2,4,4-trimethylpentyl)aluminium
cas: 16216-31-2
formula: C24H51Al
inchikey: XZIKSWMNFLIAQP-UHFFFAOYSA-N
norman_susdat_id: NS00086576
smiles: CC(C[Al](CC(C)CC(C)(C)C)CC(C)CC(C)(C)C)CC(C)(C)C
inchi:
InChI=1/3C8H17.Al/c3*1-7(2)6-8(3,4)5;/h3*7H,1,6H2,2-5H3;/rC24H51Al/c1-19(13-22(4,5)6)16-25(17-20(2)14-23(7,8)9)18-21(3)15-24(10,11)12/h19-21H,13-18H2,1-12H3


cas: 162162-67-6
dtxsid: DTXSID80882982
norman_susdat_id: NS00111686
name:
Hexafluoropropene, oligomeric reaction products with 1,1-difluoroethylene and tetrafluoroethylene, telomers with fluorine


name: 1-methylquinolinium toluene-p-sulphonate
cas: 16218-74-9
formula: C10H10N.C7H7O3S
inchikey: UKQVAKKCHJNWPC-UHFFFAOYSA-M
norman_susdat_id: NS00086956
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc3ccccc23
inchi:
InChI=1/C10H10N.C7H8O3S/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-8H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 1621858-40-9
dtxsid: DTXSID60882687
norman_susdat_id: NS00110971
name:
Copolymer of 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroallyl)oxypropoxy}propan-1-ol, 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroallyl)oxypropoxy}propan-1-yl 2-fluoroacrylate


cas: 1621858-65-8
dtxsid: DTXSID90882958
norman_susdat_id: NS00112030
name:
Copolymer of 2-(methacryloyloxy)ethyl(dimethyl)ammonium acetate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-yl methacrylate


name: 3,5-di(acetamido)-2,6-diiodobenzoic acid
cas: 162193-53-5
chemspiderid: 4447599
formula: C11H10I2N2O4
inchikey: FMBYKVSRFAJNHZ-UHFFFAOYSA-N
norman_susdat_id: NS00003099
pubchem_cid: 5284542
smiles: CC(=O)Nc1cc(NC(C)=O)c(I)c(C(O)=O)c1I
inchi:
InChI=1S/C11H10I2N2O4/c1-4(16)14-6-3-7(15-5(2)17)10(13)8(9(6)12)11(18)19/h3H,1-2H3,(H,14,16)(H,15,17)(H,18,19)


name: Trichloro[5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-(tridecafluorohexyl)decyl]silane
cas: 1621953-16-9
dtxsid: DTXSID20895632
formula: C16H7Cl3F26Si
inchikey: DNAXFVIUOFWRIJ-UHFFFAOYSA-N
norman_susdat_id: NS00109699
inchi:
InChI=1/C16H7Cl3F26Si/c17-46(18,19)3-4(6(22,23)8(26,27)10(30,31)12(34,35)14(38,39)16(43,44)45)1-2-5(20,21)7(24,25)9(28,29)11(32,33)13(36,37)15(40,41)42/h4H,1-3H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(C[Si](Cl)(Cl)Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Clonazepam
cas: 1622-61-3
chebiid: CHEBI:3756
chemspiderid: 2700
dtxsid: DTXSID1022845
formula: C15H10Cl1N3O3
inchikey: DGBIGWXXNGSACT-UHFFFAOYSA-N
norman_susdat_id: NS00010427
pubchem_cid: 2802
smiles: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl
inchi:
InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)


name: Flunitrazepam
cas: 1622-62-4
chebiid: CHEBI:31622
chemspiderid: 3263
dtxsid: DTXSID7023065
formula: C16H12F1N3O3
inchikey: PPTYJKAXVCCBDU-UHFFFAOYSA-N
norman_susdat_id: NS00007996
pubchem_cid: 3380
smiles: CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
inchi:
InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3


name: 1-[3-(p-fluorobenzoyl)propyl]-4-methylpiperazinium chloride
cas: 1622-79-3
dtxsid: DTXSID10936649
formula: C15H21FN2O
inchikey: VYCOXBHIFBCACZ-UHFFFAOYSA-N
norman_susdat_id: NS00045941
pubchem_cid: 57457
smiles: [Cl-].O=C(C1=CC=C(F)C=C1)CCC[NH+]2CCN(C)CC2
inchi:
InChI=1/C15H21FN2O.ClH/c1-17-9-11-18(12-10-17)8-2-3-15(19)13-4-6-14(16)7-5-13;/h4-7H,2-3,8-12H2,1H3;1H


name: Allopurinol ribonucleoside
cas: 16220-07-8
chemspiderid: NA
formula: C14H20N4O5
inchikey: PLCRKOLCHHGYSU-REWJHTLYSA-N
norman_susdat_id: NS00002316
pubchem_cid: NA
smiles: C[C@@]1(CO)O[C@@](C)(n2ncc3c(O)ncnc23)[C@](C)(O)[C@]1(C)O
inchi:
InChI=1S/C14H20N4O5/c1-11(6-19)12(2,21)13(3,22)14(4,23-11)18-9-8(5-17-18)10(20)16-7-15-9/h5,7,19,21-22H,6H2,1-4H3,(H,15,16,20)/t11-,12+,13+,14+/m0/s1


name: 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine
cas: 162204-20-8
chemspiderid: 22378824
dtxsid: DTXSID90167333
formula: C19H26F1N3O8
inchikey: WMJHGZFQHPCWQZ-GWBBYGMBSA-N
norman_susdat_id: NS00006350
pubchem_cid: 73425552
smiles: CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
inchi:
InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1


cas: 162208-01-7
chemspiderid: NA
dtxsid: DTXSID30571652
formula: C25H31N7
inchikey: ODBHPUXWMUDERE-UHFFFAOYSA-N
norman_susdat_id: NS00002484
pubchem_cid: 15333710
smiles: CCN(CC)c1ccc(N=C2C(=Nn3c2nnc3-c2cccc(C)c2)C(C)(C)C)c(C)n1
name:
5-{(Z)-[6-tert-Butyl-3-(3-methylphenyl)-7H-pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino}-N,N-diethyl-6-methylpyridin-2-amine

inchi:
InChI=1S/C25H31N7/c1-8-31(9-2)20-14-13-19(17(4)26-20)27-21-22(25(5,6)7)30-32-23(28-29-24(21)32)18-12-10-11-16(3)15-18/h10-15H,8-9H2,1-7H3


name: [(4S,5S)-4-benzyl-2-oxo-5-oxazolidinyl]methyl 4-nitrobenzenesulfonate
cas: 162221-28-5
chemspiderid: 9233436
formula: C17H16N2O7S1
inchikey: BONCYQJFFSZGTE-UHFFFAOYSA-N
norman_susdat_id: NS00003622
pubchem_cid: 22362142
smiles: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)OCC1OC(=O)NC1Cc1ccccc1
inchi:
InChI=1S/C17H16N2O7S/c20-17-18-15(10-12-4-2-1-3-5-12)16(26-17)11-25-27(23,24)14-8-6-13(7-9-14)19(21)22/h1-9,15-16H,10-11H2,(H,18,20)


name: Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis[(dimethylamino)methyl]-
cas: 16224-36-5
dtxsid: DTXSID5073408
formula: C27H44N4O2
inchikey: LLIYAFSMVQLZQF-UHFFFAOYSA-N
norman_susdat_id: NS00093653
smiles: CN(C)CC1=CC(=CC(CN(C)C)=C1O)C(C)(C)C1=CC(CN(C)C)=C(O)C(CN(C)C)=C1
inchi:
InChI=1S/C27H44N4O2/c1-27(2,23-11-19(15-28(3)4)25(32)20(12-23)16-29(5)6)24-13-21(17-30(7)8)26(33)22(14-24)18-31(9)10/h11-14,32-33H,15-18H2,1-10H3


name: 1,1,1,3,4,4,4-Heptafluoro-3-(heptafluoropropoxy)-2-(trifluoromethyl)butan-2-yl prop-2-enoate
cas: 1622868-66-9
dtxsid: DTXSID50896531
formula: C11H3F17O3
inchikey: FIGBQVAJPJHIDX-UHFFFAOYSA-N
norman_susdat_id: NS00110803
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(OC(=O)C=C)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C11H3F17O3/c1-2-3(29)30-4(7(15,16)17,8(18,19)20)6(14,10(24,25)26)31-11(27,28)5(12,13)9(21,22)23/h2H,1H2


name: N,N'-(ethoxymethylsilylene)bis[N-methylbenzamide]
cas: 16230-35-6
formula: C19H24N2O3Si
inchikey: BLEJWUIEUACHKH-UHFFFAOYSA-N
norman_susdat_id: NS00053960
pubchem_cid: 85342
smiles: O=C(C=1C=CC=CC1)N(C)[Si](OCC)(N(C(=O)C=2C=CC=CC2)C)C
inchi:
InChI=1/C19H24N2O3Si/c1-5-24-25(4,20(2)18(22)16-12-8-6-9-13-16)21(3)19(23)17-14-10-7-11-15-17/h6-15H,5H2,1-4H3


name: N-Acetylnortriptyline
cas: 16234-90-5
chemspiderid: 535361
formula: C21H23NO
inchikey: CDGDSKQTZFJQQF-UHFFFAOYSA-N
norman_susdat_id: NS00114064
pubchem_cid: 615972
smiles: CC(=O)N(C)CCC=C1c2ccccc2CCc2ccccc12
inchi:
InChI=1S/C21H23NO/c1-16(23)22(2)15-7-12-21-19-10-5-3-8-17(19)13-14-18-9-4-6-11-20(18)21/h3-6,8-12H,7,13-15H2,1-2H3


name: Fingolimod
cas: 162359-55-9
chebiid: CHEBI:63115
chemspiderid: 97087
dtxsid: DTXSID40167363
formula: C19H33N1O2
inchikey: KKGQTZUTZRNORY-UHFFFAOYSA-N
norman_susdat_id: NS00016757
pubchem_cid: 107970
smiles: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N
inchi:
InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3


name: Fingolimod hydrochloride
cas: 162359-56-0
chebiid: CHEBI:63112
dtxsid: DTXSID00167364
formula: C19H34ClNO2
inchikey: SWZTYAVBMYWFGS-UHFFFAOYSA-N
norman_susdat_id: NS00076138
smiles: Cl.CCCCCCCCC1=CC=C(CCC(N)(CO)CO)C=C1
inchi:
InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H


cas: 1623804-44-3
formula: C22H24ClFO7
inchikey: HYTPDMFFHVZBOR-VNXMGFANSA-N
norman_susdat_id: NS00073502
pubchem_cid: 56832738
smiles: CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F
name:
5-{4-chloro-3-[(4-ethoxy-3-fluorophenyl)methyl]phenyl}-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

inchi:
InChI=1S/C22H24ClFO7/c1-2-29-17-6-3-12(8-16(17)24)7-13-9-14(4-5-15(13)23)22-20(28)18(26)19(27)21(10-25,31-22)11-30-22/h3-6,8-9,18-20,25-28H,2,7,10-11H2,1H3/t18-,19-,20+,21+,22+/m0/s1


name: Estrone 3-methyl ether
cas: 1624-62-0
chemspiderid: 83859
dtxsid: DTXSID40167368
formula: C19H24O2
inchikey: BCWWDWHFBMPLFQ-VXNCWWDNSA-N
norman_susdat_id: NS00004754
pubchem_cid: 92895
smiles: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1
inchi:
InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1


name: Roflumilast
cas: 162401-32-3
chebiid: CHEBI:47657
chemspiderid: 395793
dtxsid: DTXSID8044123
formula: C17H14Cl2F2N2O3
inchikey: MNDBXUUTURYVHR-UHFFFAOYSA-N
norman_susdat_id: NS00040687
pubchem_cid: 449193
smiles: FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
inchi:
InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)


name: N-(9,10-Dioxo-9,10-dihydroanthracen-1-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 162441-56-7
dtxsid: DTXSID50896258
formula: C18H8F7NO3
inchikey: CNBJFNYJJAGHOD-UHFFFAOYSA-N
norman_susdat_id: NS00110776
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-11-7-3-6-10-12(11)14(28)9-5-2-1-4-8(9)13(10)27/h1-7H,(H,26,29)


name: 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl)-6-methylbenzothiazole-7-sulphonic acid
cas: 16249-86-8
chemspiderid: 76974
dtxsid: DTXSID70167376
formula: C26H16N2O5S2
inchikey: VAKCCPVQFSLMDM-UHFFFAOYSA-N
norman_susdat_id: NS00025307
pubchem_cid: 85347
smiles: Cc1ccc2nc(sc2c1S(=O)(=O)O)c1cc2c(cc1)nc(cc2)C1C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C26H16N2O5S2/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30/h2-12,21H,1H3,(H,31,32,33)


name: Disodium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate
cas: 16249-87-9
dtxsid: DTXSID80889653
formula: C27H16N2O7S2
inchikey: OUZJHSOHERXFRU-UHFFFAOYSA-L
norman_susdat_id: NS00054026
pubchem_cid: 85348
inchi:
InChI=1/C27H16N2O7S2.2Na/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC=C2C(=O)C(C(=O)C2=C1)C3=NC4=CC=C(C=C4C=C3)C5=NC=6C=CC(=C(C6S5)S(=O)(=O)[O-])C


cas: 162491-88-5
dtxsid: DTXSID30882730
norman_susdat_id: NS00109957
name:
Imidodicarbonic diamide, N,N′,2-tris(6-isocyanatohexyl)-, reaction products with glycidol, hydrolyzed ethylene-pentafluoroiodoethane-tetrafluoroethylene telomer reaction product and stearyl alc.


cas: 162492-11-7
dtxsid: DTXSID30897627
norman_susdat_id: NS00110164
name:
Benzenesulfonyl chloride, 4-methyl-, reaction products with ethylene oxide, pyridine and reduced methanol-reduced polymd. oxidized 1,1,2,2,3,3,3-hexafluoro-1-propene reaction product


cas: 162492-12-8
dtxsid: DTXSID20897636
norman_susdat_id: NS00109827
name:
Acetyl chloride, chloro-, reaction products with ethylene oxide, pyridine and reduced methanol-reduced polymd. oxidized 1,1,2,2,3,3,3-hexafluoro-1-propene reaction product


cas: 162492-13-9
dtxsid: DTXSID60897690
norman_susdat_id: NS00111193
name:
Methanol, reaction products with reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene, reduced, ethoxylated


cas: 162492-14-0
dtxsid: DTXSID60882829
norman_susdat_id: NS00110983
name:
2-Propenoic acid, anhydrides, 2-methyl-, anhydride, reaction products with ethylene oxide and reduced Me esters of reduced polymd. oxidized tetrafluoroethene


cas: 162492-17-3
dtxsid: DTXSID90897668
norman_susdat_id: NS00112229
name:
Methanol, reaction products with reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer, reduced, ethoxylated


cas: 162492-18-4
dtxsid: DTXSID70897621
norman_susdat_id: NS00111538
name:
2-Propenoic acid, 2-methyl-, anhydride, reaction products with ethylene oxide and reduced methanol-reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer reaction product


cas: 162492-22-0
dtxsid: DTXSID40897678
norman_susdat_id: NS00110513
name:
2,8-Phenazinediamine, N8,N8,3-trimethyl-, compd. with hydrolyzed reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene


name: 11-ß,17-a,21-trihydroxy-6-a-methylpregn-4-ene-3,20-dione
cas: 1625-39-4
formula: C22H32O5
inchikey: FQWLSWNUHFREIQ-PJHHCJLFSA-N
norman_susdat_id: NS00046542
pubchem_cid: 102147
smiles: O=C1C=C2C(C)CC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C22H32O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h9,12,14-15,17,19,23,25,27H,4-8,10-11H2,1-3H3


name: Salirasib
cas: 162520-00-5
dtxsid: DTXSID20870080
formula: C22H30O2S
inchikey: WUILNKCFCLNXOK-CFBAGHHKSA-N
norman_susdat_id: NS00068710
pubchem_cid: 5469318
smiles: CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O
inchi:
InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+


name: Chloramphenicol stearate
cas: 16255-48-4
chemspiderid: 21160462
dtxsid: DTXSID20167407
formula: C29H46Cl2N2O6
inchikey: IDWDXHQLOMJDRU-XNMGPUDCSA-N
norman_susdat_id: NS00025309
pubchem_cid: 83945
smiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1


cas: 162567-73-9
dtxsid: DTXSID40897638
norman_susdat_id: NS00110509
name:
Phosphoric trichloride, reaction products with ethylene oxide, morpholine and reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction product


cas: 162567-74-0
dtxsid: DTXSID70882794
norman_susdat_id: NS00111328
name:
Phosphoric trichloride, reaction products with ethylene oxide and reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction product, hydrolyzed


cas: 162567-75-1
dtxsid: DTXSID40897618
norman_susdat_id: NS00110507
name:
Phosphoric trichloride, reaction products with ethylene oxide and reduced methanol-reduced polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene reaction product, hydrolyzed, compds. with diethanolamine


cas: 162567-76-2
dtxsid: DTXSID30897622
norman_susdat_id: NS00110163
name:
Phosphoric trichloride, reaction products with ethylene oxide and reduced methanol-reduced chlorine-polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene telomer reaction product, hydrolyzed


cas: 162567-79-5
dtxsid: DTXSID80882922
norman_susdat_id: NS00111680
name:
Alcohols, C8-14, perfluoro, reaction products with di-Me, Me hydrogen siloxanes and polyethylene glycol mono-Me ether Basic information


cas: 162568-17-4
dtxsid: DTXSID10882798
norman_susdat_id: NS00109267
name:
2-Propenoic acid, butyl ester, reaction product with poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-hydroxy-, and N-ethyl-N-2-hydroxyethyl perfluoroctane sulfonamide


cas: 162568-32-3
norman_susdat_id: NS00113477
name:
2,5-Furandione, polymer with ethenylbenzene, reaction products with polyethylene-polypropylene glycol 2-aminopropyl Me ether


name: Penimocycline
cas: 16259-34-0
formula: C39H43N5O12S
inchikey: ZVVMCQBZCQRRME-LHPFHTGGSA-N
norman_susdat_id: NS00054027
pubchem_cid: NA
inchi:
InChI=1/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)

smiles:
O=C(O)C1N2C(=O)C(NC(=O)C(NCNC(=O)C=3C(=O)C4(O)C(O)=C5C(=O)C=6C(O)=CC=CC6C(O)(C)C5CC4C(C3O)N(C)C)C=7C=CC=CC7)C2SC1(C)C


name: O-benzyl-L-lysine bis(toluene-p-sulphonate)
cas: 16259-78-2
dtxsid: DTXSID80936717
formula: C13H20N2O2
inchikey: HKSGNVBOEXPQHJ-LTCKWSDVSA-N
norman_susdat_id: NS00053572
pubchem_cid: 56828181
smiles: O=C(OCC=1C=CC=CC1)C(N)CCCCN.O=S(=O)(O)C1=CC=C(C=C1)C.O=S(=O)(O)C1=CC=C(C=C1)C
inchi:
InChI=1/C13H20N2O2.2C7H8O3S/c14-9-5-4-8-12(15)13(16)17-10-11-6-2-1-3-7-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7,12H,4-5,8-10,14-15H2;2*2-5H,1H3,(H,8,9,10)


name: N-Oleylpalmitic acid amide
cas: 16260-09-6
chemspiderid: 4941073
dtxsid: DTXSID00893434
formula: C34H67N1O1
inchikey: VMRGZRVLZQSNHC-ZCXUNETKSA-N
norman_susdat_id: NS00001491
pubchem_cid: 6436436
smiles: CCCCCCCCCCCCCCCC(=O)NCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C34H67NO/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-35-34(36)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18H,3-16,19-33H2,1-2H3,(H,35,36)/b18-17-


name: Temsirolimus
cas: 162635-04-3
chebiid: CHEBI:93784
chemspiderid: 19467181
dtxsid: DTXSID2040945
formula: C56H87N1O16
inchikey: CBPNZQVSJQDFBE-UHFFFAOYSA-N
norman_susdat_id: NS00006809
pubchem_cid: 148191
inchi:
InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3

smiles:
COC1CC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)OC)CCC1OC(=O)C(C)(CO)CO


name: 1,4-Bis(4-nitrophenyl)piperazine
cas: 16264-05-4
chemspiderid: 76978
dtxsid: DTXSID70167412
formula: C16H16N4O4
inchikey: VCZGAOMAWKGNEF-UHFFFAOYSA-N
norman_susdat_id: NS00025313
pubchem_cid: 85353
smiles: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H16N4O4/c21-19(22)15-5-1-13(2-6-15)17-9-11-18(12-10-17)14-3-7-16(8-4-14)20(23)24/h1-8H,9-12H2


name: HQL-79
cas: 162641-16-9
dtxsid: DTXSID50424898
formula: C22H27N5O
inchikey: TZQGXAHOROZEKN-UHFFFAOYSA-N
norman_susdat_id: NS00069251
pubchem_cid: 6540277
smiles: c1ccc(C(OC2CCN(CCCc3nnn[nH]3)CC2)c2ccccc2)cc1
inchi:
InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)


name: Ethaboxam
cas: 162650-77-3
chemspiderid: 9349732
dtxsid: DTXSID2057994
formula: C14H16N4O1S2
inchikey: NQRFDNJEBWAUBL-UHFFFAOYNA-N
norman_susdat_id: NS00025314
pubchem_cid: NA
smiles: CCNc1nc(CC)c(s1)C(=O)NC(C#N)c1cccs1
inchi:
InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)/t10-/m0/s1


name: vinflunine
cas: 162652-95-1
chemspiderid: 5293501
formula: C45H54F2N4O8
inchikey: NMDYYWFGPIMTKO-UHFFFAOYSA-N
norman_susdat_id: NS00040798
pubchem_cid: 6918295
inchi:
InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3

smiles:
CCC12C=CCN3CCC4(C13)C(N(C)c1cc(OC)c(cc41)C1(CC3CC(CN(C3)Cc3c1[nH]c1ccccc31)C(C)(F)F)C(=O)OC)C(O)(C2OC(C)=O)C(=O)OC


name: N,N',N''-tris(tert-butyl)-1,3,5-triazine-2,4,6-triamine
cas: 16268-98-7
dtxsid: DTXSID90936723
formula: C15H30N6
inchikey: XYKRYUFUYDCUFM-UHFFFAOYSA-N
norman_susdat_id: NS00053574
pubchem_cid: 85354
smiles: N=1C(=NC(=NC1NC(C)(C)C)NC(C)(C)C)NC(C)(C)C
inchi:
InChI=1/C15H30N6/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)21-15(7,8)9/h1-9H3,(H3,16,17,18,19,20,21)


cas: 162691-59-0
chemspiderid: 9307373
formula: C21H32O5
inchikey: RZEIWRMMULENKX-UHFFFAOYSA-N
norman_susdat_id: NS00009200
pubchem_cid: 11132254
smiles: CCOC(C)OC(C)(C=C)C#CC1(O)C(C)=C2OC(C)OC2CC1(C)C
name:
5-[3-(1-ethoxyethoxy)-3-methyl-4-penten-1-ynyl]-2,4,6,6-tetramethyl-5,6,7,7a-tetrahydro-1,3-benzodioxol-5-ol

inchi:
InChI=1S/C21H32O5/c1-9-20(8,26-15(4)23-10-2)11-12-21(22)14(3)18-17(13-19(21,6)7)24-16(5)25-18/h9,15-17,22H,1,10,13H2,2-8H3


name: 2-[(2-amino-1-naphthyl)azo]-5-nitrophenol
cas: 16279-53-1
formula: C16H13N4O3
inchikey: VQAXLVSIIUKAAQ-UHFFFAOYSA-N
norman_susdat_id: NS00054030
pubchem_cid: 135583308
smiles: O=[N+]([O-])C1=CC=C(N=NC2=C(N)C=CC=3C=CC=CC32)C(O)=C1
inchi:
InChI=1/C16H12N4O3/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21/h1-9,21H,17H2


name: 1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-
cas: 16279-54-2
chemspiderid: 4583604
dtxsid: DTXSID5066031
formula: C20H13N3O6S1
inchikey: SXYCCJAPZKHOLS-UHFFFAOYSA-N
norman_susdat_id: NS00020753
pubchem_cid: NA
smiles: [O-][N+](=O)c1cc2c(ccc(N/N=C/3C(=O)C=Cc4ccccc34)c2cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C20H13N3O6S/c24-18-9-5-12-3-1-2-4-14(12)20(18)22-21-17-8-10-19(30(27,28)29)16-11-13(23(25)26)6-7-15(16)17/h1-11,21H,(H,27,28,29)/b22-20-


