# cl_id

name: Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-, sodium salt (1:3)
cas: 139-89-9
dtxsid: DTXSID9027075
formula: C10H15N2Na3O7
inchikey: WHNXAQZPEBNFBC-UHFFFAOYSA-K
norman_susdat_id: NS00075630
smiles: [Na+].[Na+].[Na+].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C10H18N2O7.3Na/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);;;/q;3*+1/p-3


name: Furaltadone
cas: 139-91-3
chebiid: CHEBI:74803
chemspiderid: 7831887
dtxsid: DTXSID4048016
formula: C13H16N4O6
inchikey: YVQVOQKFMFRVGR-UHFFFAOYSA-N
norman_susdat_id: NS00000147
pubchem_cid: 3434
smiles: C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-]
inchi:
InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2


name: 6,6'-dihydroxy-3,3'-diarsene-1,2-diyldianilinium dichloride
cas: 139-93-5
chebiid: CHEBI:9016
formula: C12H12As2N2O2.2ClH
inchikey: VLAXZGHHBIJLAD-UHFFFAOYSA-N
norman_susdat_id: NS00079365
smiles: [Cl-].[Cl-].[NH3+]c2cc([As]=[As]c1ccc(O)c([NH3+])c1)ccc2O
inchi:
InChI=1/C12H12As2N2O2.2ClH/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8;;/h1-6,17-18H,15-16H2;2*1H


name: Tris(2-hydroxyethyl)ammonium dodecylsulfate
cas: 139-96-8
formula: C12H26O4S.C6H15NO3
inchikey: JZKFHQMONDVVNF-UHFFFAOYSA-N
norman_susdat_id: NS00079366
smiles: CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2


name: Sodium 1-methyl 9-(sulphooxy)octadecanoate
cas: 139-99-1
dtxsid: DTXSID60930273
formula: C19H38O6S
inchikey: LZEUPFJXTMRCHF-UHFFFAOYSA-N
norman_susdat_id: NS00042046
pubchem_cid: 101623
smiles: [Na+].O=C(OC)CCCCCCCC(OS(=O)(=O)O)CCCCCCCCC
inchi:
InChI=1/C19H38O6S.Na/c1-3-4-5-6-7-9-12-15-18(25-26(21,22)23)16-13-10-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1


name: 5-ethyl-5-phenylbarbituric acid, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
cas: 13900-05-5
formula: C12H12N2O3.xC11H12N2O
inchikey: JQQIQZVQNHKNJI-UHFFFAOYSA-N
norman_susdat_id: NS00086023
smiles: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.CN3N(C(=O)C=C3C)c4ccccc4
inchi:
InChI=1/C12H12N2O3.C11H12N2O/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-7H,2H2,1H3,(H2,13,14,15,16,17);3-8H,1-2H3


name: Diethyl[2-(2-phenylbutyroyloxy)ethyl]ammonium dihydrogen citrate
cas: 13900-12-4
formula: C16H25NO2.xC6H8O7
inchikey: VVNURWKSPYZZCI-UHFFFAOYSA-L
norman_susdat_id: NS00085191
smiles: CCC(C(=O)OCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: 3-ß,17-a-dihydroxy-16-ß-methylpregn-5-en-20-one
cas: 13900-61-3
formula: C22H34O3
inchikey: MDCCMZGGNCMFPQ-RGEWOSBMSA-N
norman_susdat_id: NS00084839
smiles: C[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C
inchi:
InChI=1/C22H34O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h5,13,16-19,24-25H,6-12H2,1-4H3


name: Profoxydim
cas: 139001-49-3
chemspiderid: 170923
dtxsid: DTXSID5057969
formula: C24H32Cl1N1O4S1
inchikey: NZYQPWCHQXECMD-UHFFFAOYSA-N
norman_susdat_id: NS00000672
pubchem_cid: 197395
smiles: CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCC(C)OC3=CC=C(C=C3)Cl
inchi:
InChI=1S/C24H32ClNO4S/c1-3-5-21(26-29-14-16(2)30-20-9-7-19(25)8-10-20)24-22(27)12-18(13-23(24)28)17-6-4-11-31-15-17/h7-10,16-18,26H,3-6,11-15H2,1-2H3


name: 5-Pentyl-2-[4-(tridecafluorohexyl)phenyl]pyridine
cas: 139030-54-9
dtxsid: DTXSID70896098
formula: C22H18F13N
inchikey: IZGVFACATXNLFF-UHFFFAOYSA-N
norman_susdat_id: NS00111454
smiles: CCCCCc1ccc(nc1)-c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H18F13N/c1-2-3-4-5-13-6-11-16(36-12-13)14-7-9-15(10-8-14)17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h6-12H,2-5H2,1H3


name: Quetiapine-Hydroxy
cas: 139079-39-3
chemspiderid: 116771
dtxsid: DTXSID10160886
formula: C21H25N3O3S
inchikey: VEGVCHRFYPFJFO-UHFFFAOYSA-N
norman_susdat_id: NS00100972
pubchem_cid: 132203
smiles: c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCN(CC4)CCOCCO
inchi:
InChI=1S/C21H25N3O3S/c25-12-14-27-13-11-23-7-9-24(10-8-23)21-17-3-1-2-4-19(17)28-20-15-16(26)5-6-18(20)22-21/h1-6,15,25-26H,7-14H2


name: 4-Methyl-N-(phenylcarbamoyl)benzenesulfonamide
cas: 13909-63-2
chemspiderid: 740435
dtxsid: DTXSID60877497
formula: C14H14N2O3S1
inchikey: BBQLCKFJEDETJU-UHFFFAOYSA-N
norman_susdat_id: NS00003247
pubchem_cid: 847415
smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1ccccc1
inchi:
InChI=1S/C14H14N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16,17)


name: [6]-Gingerol
cas: 1391-73-7
chemspiderid: 3354
dtxsid: DTXSID40274400
formula: C17H26O4
inchikey: NLDDIKRKFXEWBK-UHFFFAOYSA-N
norman_susdat_id: NS00067014
pubchem_cid: 3473
smiles: CCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1
inchi:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3


name: Sildenafil analogue
cas: 1391053-82-9
chemspiderid: 48057981
formula: C24H34N6O4S1
inchikey: PRMZQGGEMZGWDP-IYBDPMFKSA-N
norman_susdat_id: NS00015059
pubchem_cid: 71315640
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC(NC(C4)C)C)OCCC)C
inchi:
InChI=1S/C24H34N6O4S/c1-6-8-19-21-22(29(5)28-19)24(31)27-23(26-21)18-12-17(9-10-20(18)34-11-7-2)35(32,33)30-13-15(3)25-16(4)14-30/h9-10,12,15-16,25H,6-8,11,13-14H2,1-5H3,(H,26,27,31)/t15-,16+


name: Isobutyl sildenafil
cas: 1391053-95-4
chemspiderid: 32698809
formula: C23H32N6O4S1
inchikey: MDDMCAQUTIFYAH-UHFFFAOYSA-N
norman_susdat_id: NS00015063
pubchem_cid: 71749541
smiles: CCOc1ccc(cc1c1nc2c(CC(C)C)nn(c2c(=O)[nH]1)C)S(=O)(=O)N1CCN(CC1)C
inchi:
InChI=1S/C23H32N6O4S/c1-6-33-19-8-7-16(34(31,32)29-11-9-27(4)10-12-29)14-17(19)22-24-20-18(13-15(2)3)26-28(5)21(20)23(30)25-22/h7-8,14-15H,6,9-13H2,1-5H3,(H,24,25,30)


name: Hydroxychlorodenafil
cas: 1391054-00-4
chemspiderid: 35147848
formula: C19H23Cl1N4O3
inchikey: QFQLUTUWAYYGSV-UHFFFAOYSA-N
norman_susdat_id: NS00014967
pubchem_cid: 71748840
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(CCl)O)C
inchi:
InChI=1S/C19H23ClN4O3/c1-4-6-13-16-17(24(3)23-13)19(26)22-18(21-16)12-9-11(14(25)10-20)7-8-15(12)27-5-2/h7-9,14,25H,4-6,10H2,1-3H3,(H,21,22,26)


name: Zanamivir
cas: 139110-80-8
chebiid: CHEBI:50663
chemspiderid: 54842
dtxsid: DTXSID0023749
formula: C12H20N4O7
inchikey: ARAIBEBZBOPLMB-UFGQHTETSA-N
norman_susdat_id: NS00003906
pubchem_cid: 40469135
smiles: CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N
inchi:
InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1


cas: 13912-93-1
chebiid: CHEBI:1963
dtxsid: DTXSID70930365
formula: C11H18N5O13P3
inchikey: PHBDHXOBFUBCJD-KQYNXXCUSA-N
norman_susdat_id: NS00070417
smiles: Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
name:
9-[5-O-(Hydroxy{[hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl)pentofuranosyl]-2-imino-3,9-dihydro-2H-purin-6-ol

inchi:
InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1


name: 2-(3-Chloro-2-oxo-2,3-dihydro-1H-indol-4-yl)ethyl benzoate
cas: 139122-17-1
chemspiderid: 8171442
dtxsid: DTXSID50433925
formula: C17H14Cl1N1O3
inchikey: QXZUSCSOBQPDPX-UHFFFAOYSA-N
norman_susdat_id: NS00009476
pubchem_cid: 9995861
smiles: ClC1C(=O)Nc2cccc(CCOC(=O)c3ccccc3)c12
inchi:
InChI=1S/C17H14ClNO3/c18-15-14-11(7-4-8-13(14)19-16(15)20)9-10-22-17(21)12-5-2-1-3-6-12/h1-8,15H,9-10H2,(H,19,20)


name: MN-18
cas: 1391484-80-2
chemspiderid: 29763729
formula: C23H23N3O1
inchikey: UJKHLVOEXULDRU-UHFFFAOYSA-N
norman_susdat_id: NS00017586
pubchem_cid: 119058030
smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-19(21)22(25-26)23(27)24-20-14-9-11-17-10-4-5-12-18(17)20/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,27)


name: Cl2201
cas: 1391486-12-6
chemspiderid: 29763749
formula: C24H21Cl1F1N1O1
inchikey: MJSLVWWUOKKZTQ-UHFFFAOYSA-N
norman_susdat_id: NS00017578
pubchem_cid: 125181332
smiles: O=C(C1=CC=C(Cl)C2=C1C=CC=C2)C3=CN(CCCCCF)C4=C3C=CC=C4
inchi:
InChI=1S/C24H21ClFNO/c25-22-13-12-20(17-8-2-3-9-18(17)22)24(28)21-16-27(15-7-1-6-14-26)23-11-5-4-10-19(21)23/h2-5,8-13,16H,1,6-7,14-15H2


name: SB202235
cas: 139149-55-6
chemspiderid: 135677
dtxsid: DTXSID1047318
formula: C16H16N2O4
inchikey: FYAQEFBDKOWIIL-CQSZACIVSA-N
norman_susdat_id: NS00015728
pubchem_cid: 153939
smiles: C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3)N(C(=O)N)O
inchi:
InChI=1S/C16H16N2O4/c17-16(19)18(20)14-10-22-15-8-12(6-7-13(14)15)21-9-11-4-2-1-3-5-11/h1-8,14,20H,9-10H2,(H2,17,19)/t14-/m1/s1


name: 3-(Perfluorooctyl)propylamine
cas: 139175-50-1
chemspiderid: 8918555
dtxsid: DTXSID20444220
formula: C11H8F17N1
inchikey: CVTWASMMVSOPEW-UHFFFAOYSA-N
norman_susdat_id: NS00018768
pubchem_cid: 10743224
smiles: NCCCC(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/C11H8F17N/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3,29H2


name: ZM 241385
cas: 139180-30-6
chebiid: CHEBI:92361
dtxsid: DTXSID80160954
formula: C16H15N7O2
inchikey: PWTBZOIUWZOPFT-UHFFFAOYSA-N
norman_susdat_id: NS00068112
pubchem_cid: 176407
smiles: Nc1nc(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12
inchi:
InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)


name: Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetrakis(2,6-dimethylphenyl) ester
cas: 139189-30-3
chemspiderid: 8050456
dtxsid: DTXSID60108450
formula: C38H40O8P2
inchikey: YOLFSLXHLNWPKG-UHFFFAOYSA-N
norman_susdat_id: NS00004096
pubchem_cid: 9874767
smiles: Cc1cccc(C)c1OP(=O)(Oc1cccc(OP(=O)(Oc2c(C)cccc2C)Oc2c(C)cccc2C)c1)Oc1c(C)cccc1C
inchi:
InChI=1S/C38H40O8P2/c1-25-14-9-15-26(2)35(25)43-47(39,44-36-27(3)16-10-17-28(36)4)41-33-22-13-23-34(24-33)42-48(40,45-37-29(5)18-11-19-30(37)6)46-38-31(7)20-12-21-32(38)8/h9-24H,1-8H3


name: Leucomycins
cas: 1392-21-8
chemspiderid: 4445361
formula: C35H59N1O13
inchikey: XYJOGTQLTFNMQG-UHFFFAOYSA-N
norman_susdat_id: NS00040622
pubchem_cid: 5282189
smiles: COC1C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(C1O)N(C)C
inchi:
InChI=1S/C35H59NO13/c1-19-16-23(14-15-37)31(32(44-8)25(39)17-26(40)45-20(2)12-10-9-11-13-24(19)38)49-34-29(41)28(36(6)7)30(21(3)47-34)48-27-18-35(5,43)33(42)22(4)46-27/h9-11,13,15,19-25,27-34,38-39,41-43H,12,14,16-18H2,1-8H3


cas: 1392-82-1
dtxsid: DTXSID20160958
formula: C37H60O12
inchikey: KKUOJZVNLJCTPF-UHFFFAOYSA-N
norman_susdat_id: NS00044178
pubchem_cid: 92023814
smiles: O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)C(O)CC(O)C34CC54CCC6(C)C(CCC6(C)C5CCC23)C(C)C7OC(O)C(O)(C7)C(C)C
name:
ß-D-glucopyranosyl 22(R),28-epoxy-1a,3ß,24(S),28-tetrahydroxy-4a,14-dimethyl-9,19-cycloergostane-4-carboxylate

inchi:
InChI=1/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3


name: OPAKEJZFFCECPN-XQRVVYSFSA-N
cas: 1cnc(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1ccc-cn-1
chebiid: 1392136-43-4
inchikey: 71492799
smiles: NS00073606
formula:
InChI=1S/C18H12F6N6O/c19-17(20,21)12-7-11(8-13(9-12)18(22,23)24)16-26-10-30(29-16)6-4-15(31)28-27-14-3-1-2-5-25-14/h1-10H,(H,25,27)(H,28,31)/b6-4-


cas: 1392191-75-1
dtxsid: DTXSID00882702
norman_susdat_id: NS00108897
name:
Poly(chloroethene-co-(docosan-1-yl methacrylate)-co-(icosan-1-yl methacrylate)-co-(octadecyl methacrylate)-co-tetracosan-1-yl methacrylate)-co-3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooctan-1-yl methacrylate


name: 6-(1-Methylethylidene)-5-(triphenylphosphoranylidene)-(perfluoro)-nonan-4-one
cas: 139225-92-6
dtxsid: DTXSID20897459
formula: C30H21F14OP
inchikey: ILHSDNSKBVJICM-UHFFFAOYSA-N
norman_susdat_id: NS00109813
inchi:
InChI=1S/C30H21F14OP/c1-18(2)22(25(31,32)27(35,36)29(39,40)41)23(24(45)26(33,34)28(37,38)30(42,43)44)46(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,1-2H3

smiles:
CC(C)=C(C(C(=O)C(F)(F)C(F)(F)C(F)(F)F)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)C(F)(F)C(F)(F)F


name: Darbufelone
cas: 139226-28-1
chemspiderid: 4943831
dtxsid: DTXSID5047247
formula: C18H24N2O2S1
inchikey: AKTXOQVMWSFEBQ-LCYFTJDESA-N
norman_susdat_id: NS00015677
pubchem_cid: 6444826
smiles: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N
inchi:
InChI=1S/C18H24N2O2S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13/h7-9,21H,1-6H3,(H2,19,20,22)/b13-9-


name: Zolmitriptan
cas: 139264-17-8
chemspiderid: 390013
dtxsid: DTXSID8045933
formula: C16H21N3O2
inchikey: ULSDMUVEXKOYBU-CYBMUJFWSA-N
norman_susdat_id: NS00007368
pubchem_cid: 441240
smiles: CN(C)CCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12
inchi:
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m1/s1


name: Collinomycin
cas: 1393-16-4
chemspiderid: 4527173
formula: C27H20O12
inchikey: LQNGOIZVRFNQLO-UHFFFAOYSA-N
norman_susdat_id: NS00011859
pubchem_cid: 5378308
smiles: COc1cc(c(c2c1C(=O)c3cc(oc3C2=O)CCc4cc5cc(oc(=O)c5c(c4O)O)C(=O)OC)O)OC
inchi:
InChI=1S/C27H20O12/c1-35-14-9-15(36-2)22(30)19-18(14)21(29)13-8-12(38-25(13)24(19)32)5-4-10-6-11-7-16(26(33)37-3)39-27(34)17(11)23(31)20(10)28/h6-9,28,30-31H,4-5H2,1-3H3


name: Thiostrepton
cas: 1393-48-2
chemspiderid: 10469505
dtxsid: DTXSID5040625
formula: C72H85N19O18S5
inchikey: NSFFHOGKXHRQEW-DVRIZHICSA-N
norman_susdat_id: NS00011841
pubchem_cid: 101290202
inchi:
InChI=1S/C72H85N19O18S5/c1-14-26(3)47-63(105)78-30(7)57(99)75-28(5)56(98)76-31(8)58(100)91-72-19-18-40(66-85-43(22-111-66)59(101)77-29(6)55(97)74-27(4)54(73)96)81-52(72)42-21-112-67(83-42)49(34(11)109-69(107)41-20-37(32(9)92)36-16-17-39(79-47)51(95)50(36)80-41)89-60(102)44-24-113-68(86-44)53(71(13,108)35(12)94)90-62(104)45-23-110-65(84-45)38(15-2)82-64(106)48(33(10)93)88-61(103)46-25-114-70(72)87-46/h15-17,20-22,24-26,30-35,39,45,47-49,51-53,79,92-95,108H,4-6,14,18-19,23H2,1-3,7-13H3,(H2,73,96)(H,74,97)(H,75,99)(H,76,98)(H,77,101)(H,78,105)(H,82,106)(H,88,103)(H,89,102)(H,90,104)(H,91,100)/b38-15+

smiles:
CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)/C(=CC)/NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C


name: CI 75120
cas: 1393-63-1
chemspiderid: 5020631
formula: C24H28O4
inchikey: ZVKOASAVGLETCT-LRRSNBNMSA-N
norman_susdat_id: NS00013533
pubchem_cid: 6537492
smiles: CC(=CC=CC=C(C)C=CC=C(C)/C=C/C(O)=O)/C=C/C=C(C)/C=C/C(O)=O
inchi:
InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13-,22-14+


name: Chartreusin
cas: 1393-74-4
chebiid: CHEBI:3580
chemspiderid: 4444748
formula: C32H32O14
inchikey: PONPPNYZKHNPKZ-RYBWXQSLSA-N
norman_susdat_id: NS00011744
pubchem_cid: 5281394
inchi:
InChI=1S/C32H32O14/c1-10-8-9-15-18-16(10)29(38)45-26-17-13(23(35)20(19(18)26)30(39)43-15)6-5-7-14(17)44-32-28(24(36)21(33)11(2)42-32)46-31-25(37)27(40-4)22(34)12(3)41-31/h5-9,11-12,21-22,24-25,27-28,31-37H,1-4H3/t11-,12-,21+,22+,24+,25-,27+,28-,31-,32+/m1/s1

smiles:
Cc1ccc2c3c1c(=O)oc4c3c(c(c5c4c(ccc5)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)C)O)OC)O)O)c(=O)o2


name: fusafungine
cas: 1393-87-9
chemspiderid: 144430
formula: C33H57N3O9
inchikey: MIZMDSVSLSIMSC-UHFFFAOYSA-N
norman_susdat_id: NS00005693
pubchem_cid: 3227
smiles: CC(C)C1OC(=O)C(C(C)C)N(C)C(=O)C(OC(=O)C(C(C)C)N(C)C(=O)C(OC(=O)C(C(C)C)N(C)C1=O)C(C)C)C(C)C
inchi:
InChI=1S/C33H57N3O9/c1-16(2)22-31(40)43-26(20(9)10)29(38)35(14)24(18(5)6)33(42)45-27(21(11)12)30(39)36(15)23(17(3)4)32(41)44-25(19(7)8)28(37)34(22)13/h16-27H,1-15H3


name: Oxetacaine hydrochloride
cas: 13930-31-9
formula: C28H41N3O3.xClH
inchikey: AFFQPCNKJKMLTE-UHFFFAOYSA-N
norman_susdat_id: NS00085694
smiles: Cl.CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2
inchi:
InChI=1/C28H41N3O3.ClH/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24;/h7-16,32H,17-22H2,1-6H3;1H


name: Detrothyronine
cas: 1393-25-7
formula: C15H12I3NO4
inchikey: AUYYCJSJGJYCDS-GFCCVEGCSA-N
norman_susdat_id: NS00082292
smiles: OC(=O)[C@H](N)Cc2cc(I)c(Oc1cc(I)c(O)cc1)c(I)c2
inchi:
InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)


name: (20R)-5alpha-Pregnane-3alpha,17,20-triol
cas: 13933-75-0
chemspiderid: 19972128
dtxsid: DTXSID70161011
formula: C21H36O3
inchikey: SCPADBBISMMJAW-MUHHAPIYSA-N
norman_susdat_id: NS00024503
pubchem_cid: 21116119
smiles: CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2(O)CCO
inchi:
InChI=1S/C21H36O3/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h14-18,22-24H,3-13H2,1-2H3/t14-,15+,16+,17-,18-,19-,20+,21+/m0/s1


name: 3ß,17a-dihydroxypregn-5-ene-21-carboxylic acid <U+03B3>-lactone
cas: 13934-61-7
formula: C22H32O3
inchikey: XBSQQVJXPODPRW-UHFFFAOYSA-N
norman_susdat_id: NS00051199
pubchem_cid: 85659
smiles: O=C1OC2(CC1)CCC3C4CC=C5CC(O)CCC5(C)C4CCC32C
inchi:
InChI=1/C22H32O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3,15-18,23H,4-13H2,1-2H3


name: DEVSOMFAQLZNKR-RJRFIUFISA-N
cas: 1cnc(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnc-cn-1
chebiid: 1393477-72-9
inchikey: 71481097
smiles: NS00073121
formula:
InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-


name: 9,10-Anthracenedione, 2-pentyl-
cas: 13936-21-5
chemspiderid: 24545
dtxsid: DTXSID1065681
formula: C19H18O2
inchikey: UMWZLYTVXQBTTE-UHFFFAOYSA-N
norman_susdat_id: NS00021007
pubchem_cid: 26343
smiles: CCCCCc1cc2c(cc1)C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3


name: 8,13-diethyl-3,7,12,17,20-pentamethyl-21H,23H-porphine-2-propionic acid
cas: 13939-70-3
formula: C32H34N4O2
inchikey: GGVDNRWMLFWIKM-UHFFFAOYSA-N
norman_susdat_id: NS00051694
pubchem_cid: 69001102
smiles: O=C(O)CCC=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C=C5C)C2C)C(=C4C)CC)C(=C3C)CC)C1C
inchi:
InChI=1/C32H34N4O2/c1-8-21-18(5)27-15-30-22(9-2)17(4)26(34-30)14-28-19(6)23(10-11-31(37)38)32(36-28)20(7)25-12-16(3)24(33-25)13-29(21)35-27/h12-15H,8-11H2,1-7H3,(H,37,38)


name: 13-hydroxyoctadeca-9,11-dienoic acid
cas: 139408-39-2
chebiid: CHEBI:34154
dtxsid: DTXSID70863503
formula: C18H32O3
inchikey: HNICUWMFWZBIFP-IRQZEAMPSA-N
norman_susdat_id: NS00069911
pubchem_cid: 6443013
smiles: CCCCC[C@H](O)/C=C/C=CCCCCCCCC(=O)O
inchi:
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1


name: Ethyl ((4-(acetylamino)phenyl)sulphonyl)carbamate
cas: 13945-59-0
chemspiderid: 75461
dtxsid: DTXSID10161050
formula: C11H14N2O5S1
inchikey: ONOVYVJUYZYMCH-UHFFFAOYSA-N
norman_susdat_id: NS00024505
pubchem_cid: 84112
smiles: CCOC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C11H14N2O5S/c1-3-18-11(15)13-19(16,17)10-6-4-9(5-7-10)12-8(2)14/h4-7H,3H2,1-2H3,(H,12,14)(H,13,15)


name: Lauryl laurate
cas: 13945-76-1
chebiid: CHEBI:141061
chemspiderid: 75884
dtxsid: DTXSID6065684
formula: C24H48O2
inchikey: CYUUZGXOQDCCGH-UHFFFAOYSA-N
norman_susdat_id: NS00009876
pubchem_cid: 84113
smiles: CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3


name: omega-N-Allylarginine
cas: 139461-37-3
dtxsid: DTXSID50161054
formula: C9H18N4O2
inchikey: ZPQWZDPOLXVMOU-ZETCQYMHSA-N
norman_susdat_id: NS00068850
smiles: C=CCNC(=N)NCCC[C@H](N)C(=O)O
inchi:
InChI=1S/C9H18N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h2,7H,1,3-6,10H2,(H,14,15)(H3,11,12,13)/t7-/m0/s1


name: Methyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate
cas: 139481-44-0
chemspiderid: 10798472
dtxsid: DTXSID80576394
formula: C25H21N3O3
inchikey: KSXLHOFDCDKQLH-UHFFFAOYSA-N
norman_susdat_id: NS00001069
pubchem_cid: 15654674
smiles: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1C#N
inchi:
InChI=1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3


name: Ethyl candesartan
cas: 139481-58-6
chemspiderid: 8044932
dtxsid: DTXSID50161059
formula: C26H24N6O3
inchikey: BCPWNYREAURMOP-UHFFFAOYSA-N
norman_susdat_id: NS00007715
pubchem_cid: 9869241
smiles: CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(cc3)-c3ccccc3-c3nn[nH]n3)c12
inchi:
InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)


name: Candesartan
cas: 139481-59-7
chebiid: CHEBI:3347
chemspiderid: 2445
dtxsid: DTXSID0022725
formula: C24H20N6O3
inchikey: HTQMVQVXFRQIKW-UHFFFAOYSA-N
norman_susdat_id: NS00009281
pubchem_cid: 2541
smiles: CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
inchi:
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)


name: Methyl candesartan
cas: 139481-69-9
chemspiderid: 10798464
dtxsid: DTXSID60161060
formula: C25H22N6O3
inchikey: RBPFEPGTRLLUKI-UHFFFAOYSA-N
norman_susdat_id: NS00024508
pubchem_cid: 15654696
smiles: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)c1c(cccc1)c1n[nH]nn1
inchi:
InChI=1S/C25H22N6O3/c1-3-34-25-26-21-10-6-9-20(24(32)33-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)


name: 16?-Hydroxyprednisolone
cas: 13951-70-7
chemspiderid: 9222224
formula: C21H28O6
inchikey: SEKYBDYVXDAYPY-ILNISADRSA-N
norman_susdat_id: NS00010547
pubchem_cid: 11047056
smiles: O=C1C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)[C@H](O)C[C@@H]23)C)C
inchi:
InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1


name: Urea, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-
cas: 139520-94-8
chemspiderid: 1217696
dtxsid: DTXSID10363092
formula: C12H15Cl3N2O2
inchikey: MPNJTIZLDHWBFX-UHFFFAOYSA-N
norman_susdat_id: NS00009286
pubchem_cid: 1475957
smiles: CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(N)=O
inchi:
InChI=1S/C12H15Cl3N2O2/c1-2-3-17(12(16)18)4-5-19-11-9(14)6-8(13)7-10(11)15/h6-7H,2-5H2,1H3,(H2,16,18)


name: Metosulam
cas: 139528-85-1
chebiid: CHEBI:82024
chemspiderid: 77938
dtxsid: DTXSID9047544
formula: C14H13Cl2N5O4S1
inchikey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N
norman_susdat_id: NS00008689
pubchem_cid: 86422
smiles: COc1cc(OC)n2nc(nc2n1)S(=O)(=O)Nc1c(Cl)ccc(C)c1Cl
eea_notation: CAS_139528-85-1
inchi:
InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3


name: 4,4'-(vinylene)bis[3-sulphobenzenediazonium] dichloride
cas: 13954-62-6
dtxsid: DTXSID60889595
formula: C14H10N4O6S2
inchikey: LENCUDCCCFORSC-UHFFFAOYSA-P
norman_susdat_id: NS00051217
pubchem_cid: 84117
smiles: N#[N+]C1=CC=C(C=CC2=CC=C([N+]#N)C=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
inchi:
InChI=1/C14H8N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8H/p+2


name: N-{propyl[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl}formamide
cas: 139542-32-8
chemspiderid: 23255241
dtxsid: DTXSID50891607
formula: C13H15Cl3N2O3
inchikey: RHDVQZWCBQXOJW-UHFFFAOYSA-N
norman_susdat_id: NS00008696
pubchem_cid: 57472173
smiles: CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)NC=O
inchi:
InChI=1S/C13H15Cl3N2O3/c1-2-3-18(13(20)17-8-19)4-5-21-12-10(15)6-9(14)7-11(12)16/h6-8H,2-5H2,1H3,(H,17,19,20)


name: 4-thiouridine
cas: 13957-31-8
dtxsid: DTXSID30930508
formula: C9H12N2O5S
inchikey: ZLOIGESWDJYCTF-UHFFFAOYSA-N
norman_susdat_id: NS00051695
pubchem_cid: NA
smiles: O=C1NC(=S)C=CN1C2OC(CO)C(O)C2O
inchi:
InChI=1/C9H12N2O5S/c12-3-4-6(13)7(14)8(16-4)11-2-1-5(17)10-9(11)15/h1-2,4,6-8,12-14H,3H2,(H,10,15,17)


name: Hydrobentizide
cas: 13957-38-5
formula: C15H16ClN3O4S3
inchikey: ZUNJWRJEKCRIMZ-UHFFFAOYSA-N
norman_susdat_id: NS00052417
pubchem_cid: 71864
smiles: O=S(=O)(N)C=1C=C2C(=CC1Cl)NC(NS2(=O)=O)CSCC=3C=CC=CC3
inchi:
InChI=1/C15H16ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7,15,18-19H,8-9H2,(H2,17,20,21)


name: Oleic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 13961-86-9
formula: C18H34O2.C4H11NO2
inchikey: KQHZEKNQJJSVDN-KVVVOXFISA-N
norman_susdat_id: NS00084646
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/C18H34O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-3-1-5-2-4-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-7H,1-4H2


name: 2-(Tridecafluorohexyl)aniline
cas: 139613-89-1
dtxsid: DTXSID30895729
formula: C12H6F13N
inchikey: ZLFYREKELVEJOR-UHFFFAOYSA-N
norman_susdat_id: NS00110059
smiles: Nc1ccccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F13N/c13-7(14,5-3-1-2-4-6(5)26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-4H,26H2


name: 4-(Tridecafluorohexyl)aniline
cas: 139613-90-4
dtxsid: DTXSID60567023
formula: C12H6F13N
inchikey: OQIGJIYYJLAXJO-UHFFFAOYSA-N
norman_susdat_id: NS00110898
smiles: NC1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F13N/c13-7(14,5-1-3-6(26)4-2-5)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-4H,26H2


name: Tris(diethyldithiocarbamato-S,S')iron
cas: 13963-59-2
formula: C15H30FeN3S6
inchikey: WGPCJVLKOFIRMS-UHFFFAOYSA-K
norman_susdat_id: NS00085013
smiles: CCN(CC)C(=S)S[Fe](SC(=S)N(CC)CC)SC(=S)N(CC)CC
inchi:
InChI=1/3C5H11NS2.Fe/c3*1-3-6(4-2)5(7)8;/h3*3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3/rC15H30FeN3S6/c1-7-17(8-2)13(20)23-16(24-14(21)18(9-3)10-4)25-15(22)19(11-5)12-6/h7-12H2,1-6H3


name: 5-hydroxyculmorin
cas: 139680-63-0
chemspiderid: 58828268
dtxsid: DTXSID70891806
formula: C15H26O3
inchikey: XFKGEQRMYJCXFK-YTAGIEBCSA-N
norman_susdat_id: NS00094881
smiles: C[C@@]12CC[C@H](C([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C)O
inchi:
InChI=1S/C15H26O3/c1-13(2)9(17)5-6-14(3)10-8(16)7-15(14,4)12(18)11(10)13/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12?,14-,15-/m1/s1


name: Actinorhodin
cas: 1397-77-9
chemspiderid: 16735642
formula: C32H26O14
inchikey: VTIKDEXOEJDMJP-WYUUTHIRSA-N
norman_susdat_id: NS00011780
pubchem_cid: NA
inchi:
InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/t9-,10-,11+,12+/m1/s1

smiles:
C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)O)O)O


name: N-Allyl-6-diazo-5-oxonorleucyl-6-diazo-5-oxonorleucine
cas: 1397-84-8
chemspiderid: 16735646
formula: C15H20N6O5
inchikey: LYUGICBKRYXVHJ-UHFFFAOYSA-N
norman_susdat_id: NS00011808
pubchem_cid: NA
smiles: C=CCNC(CCC(=O)C=[N+]=[N-])C(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O
inchi:
InChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H,21,24)(H,25,26)


name: Amphotericin B
cas: 1397-89-3
chemspiderid: 4444451
dtxsid: DTXSID9022601
formula: C47H73N1O17
inchikey: APKFDSVGJQXUKY-KKGHZKTASA-N
norman_susdat_id: NS00002978
pubchem_cid: 14956
inchi:
InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

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


name: Trisodium hydrogen [(octylimino)bis(methylene)]bisphosphonate
cas: 13973-44-9
formula: C10H25NO6P2.3Na
inchikey: FIRBIFBLPUUEFW-UHFFFAOYSA-J
norman_susdat_id: NS00085789
smiles: [Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.3Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;/q;3*+1/p-4


name: Trisodium hydrogen [(decylimino)bis(methylene)]bisphosphonate
cas: 13973-45-0
dtxsid: DTXSID00930570
formula: C12H29NO6P2
inchikey: SVPASOHPEFRDDA-UHFFFAOYSA-J
norman_susdat_id: NS00052478
pubchem_cid: 3831795
smiles: [Na+].[Na+].[Na+].O=P([O-])([O-])CN(CCCCCCCCCC)CP(=O)([O-])[O-]
inchi:
InChI=1/C12H29NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-13(11-20(14,15)16)12-21(17,18)19;;;/h2-12H2,1H3,(H2,14,15,16)(H2,17,18,19);;;/q;3*+1/p-4


name: Trisodium hydrogen [(dodecylimino)bis(methylene)]bisphosphonate
cas: 13973-51-8
formula: C14H33NO6P2.3Na
inchikey: ZFCUMUWHVLBQBF-UHFFFAOYSA-J
norman_susdat_id: NS00085049
smiles: [Na+].[Na+].[Na+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;/q;3*+1/p-4


name: Desmethylsildenafil
cas: 139755-82-1
chemspiderid: 4932278
dtxsid: DTXSID00161160
formula: C21H28N6O4S1
inchikey: UZTKBZXHEOVDRL-UHFFFAOYSA-N
norman_susdat_id: NS00007322
pubchem_cid: 6426858
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1
inchi:
InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)


name: Sildenafil
cas: 139755-83-2
chebiid: CHEBI:9139
chemspiderid: 5023
dtxsid: DTXSID6023579
formula: C22H30N6O4S1
inchikey: BNRNXUUZRGQAQC-UHFFFAOYSA-N
norman_susdat_id: NS00010359
pubchem_cid: 5212
smiles: CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)n(n1)C
inchi:
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)


name: Hydroxyhomosildenafil
cas: 139755-85-4
chemspiderid: 3929995
dtxsid: DTXSID60161161
formula: C23H32N6O5S1
inchikey: NEYKRKVLEWKOBI-UHFFFAOYSA-N
norman_susdat_id: NS00006256
pubchem_cid: 4742795
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
inchi:
InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)


name: Propoxyphenyl homohydroxysildenafil
cas: 139755-87-6
chemspiderid: 3929996
formula: C24H34N6O5S1
inchikey: DDQVAJSWFPJSGC-UHFFFAOYSA-N
norman_susdat_id: NS00015877
pubchem_cid: 4742796
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)C
inchi:
InChI=1S/C24H34N6O5S/c1-4-6-19-21-22(28(3)27-19)24(32)26-23(25-21)18-16-17(7-8-20(18)35-15-5-2)36(33,34)30-11-9-29(10-12-30)13-14-31/h7-8,16,31H,4-6,9-15H2,1-3H3,(H,25,26,32)


name: O-Desethyl sildenafil
cas: 139755-91-2
chemspiderid: 13626432
formula: C20H26N6O4S1
inchikey: LTNJUPYNXDNXBO-UHFFFAOYSA-N
norman_susdat_id: NS00015019
pubchem_cid: NA
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1O)S(=O)(=O)N1CCN(CC1)C)C
inchi:
InChI=1S/C20H26N6O4S/c1-4-5-15-17-18(25(3)23-15)20(28)22-19(21-17)14-12-13(6-7-16(14)27)31(29,30)26-10-8-24(2)9-11-26/h6-7,12,27H,4-5,8-11H2,1-3H3,(H,21,22,28)


name: Pyrazole N-Demethyl Sildenafil
cas: 139755-95-6
chemspiderid: 8248502
dtxsid: DTXSID00435176
formula: C21H28N6O4S1
inchikey: ZLJVUHMTFSCAGQ-UHFFFAOYSA-N
norman_susdat_id: NS00015057
pubchem_cid: 10072962
smiles: CCCc1[nH]nc2c1nc([nH]c2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C
inchi:
InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(25-24-16)21(28)23-20(22-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-26(3)10-12-27/h7-8,13H,4-6,9-12H2,1-3H3,(H,24,25)(H,22,23,28)


name: Sildenafil coupled
cas: 139756-01-7
chemspiderid: 742918
formula: C17H22N4O3
inchikey: UAFIHVRUICMADE-UHFFFAOYSA-N
norman_susdat_id: NS00015062
pubchem_cid: 850135
smiles: CCCc1nn(c(c1N=C(c1ccccc1OCC)O)C(=O)N)C
inchi:
InChI=1S/C17H22N4O3/c1-4-8-12-14(15(16(18)22)21(3)20-12)19-17(23)11-9-6-7-10-13(11)24-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H2,18,22)(H,19,23)


name: 5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
cas: 139756-21-1
chebiid: CHEBI:170049
chemspiderid: 787185
dtxsid: DTXSID40358476
formula: C17H20N4O2
inchikey: MXQUEDUMKWBYHI-UHFFFAOYSA-N
norman_susdat_id: NS00014983
pubchem_cid: 899745
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1ccccc1OCC)C
inchi:
InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)


name: Embramine hydrochloride
cas: 13977-28-1
dtxsid: DTXSID90892436
formula: C18H22BrNO
inchikey: JUOZATSMKDYYGH-UHFFFAOYSA-N
norman_susdat_id: NS00052480
pubchem_cid: 19105
smiles: Cl.BrC1=CC=C(C=C1)C(OCCN(C)C)(C=2C=CC=CC2)C
inchi:
InChI=1/C18H22BrNO.ClH/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;/h4-12H,13-14H2,1-3H3;1H


name: 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl dinitrate
cas: 13979-94-7
chemspiderid: 75898
dtxsid: DTXSID80161168
formula: C5H10N10O14
inchikey: JIFNBGMOBAYSNR-UHFFFAOYSA-N
norman_susdat_id: NS00024515
pubchem_cid: 84128
smiles: [O-][N+](=O)OCN(CN(CN(CN(CO[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C5H10N10O14/c16-10(17)6(2-8(12(20)21)4-28-14(24)25)1-7(11(18)19)3-9(13(22)23)5-29-15(26)27/h1-5H2


cas: 1398-13-6
dtxsid: DTXSID40161169
formula: C30H46O16S2
inchikey: FYQXODZRNSCOTR-ANFZLNLLSA-N
norman_susdat_id: NS00044839
pubchem_cid: 23619477
smiles: O=C(O)C1CC(OC2OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C2OC(=O)CC(C)C)CC3(C)C1CCC45CC(C(=C)C4O)CCC35
name:
15a-hydroxy-2ß-[[2-O-isovaleryl-3,4a-di-O-sulpho-ß-D-glucopyranosyl]oxy]-19-norkaur-16-en-18-oic acid

inchi:
InChI=1/C30H46O16S2/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41)


name: Bakankoside
cas: 1398-17-0
chebiid: CHEBI:2983
chemspiderid: 390932
dtxsid: DTXSID10331852
formula: C16H23NO8
inchikey: CYRRHDGXDUVPMO-ZASXJUAOSA-N
norman_susdat_id: NS00094636
pubchem_cid: 442506
smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCNC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C16H23NO8/c1-2-7-8-3-4-17-14(22)9(8)6-23-15(7)25-16-13(21)12(20)11(19)10(5-18)24-16/h2,6-8,10-13,15-16,18-21H,1,3-5H2,(H,17,22)/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1


name: Colocynthin
cas: 1398-78-3
formula: C38H54O13
inchikey: QKEJRKXVLGOJMB-WEQBYUBOSA-N
norman_susdat_id: NS00044180
pubchem_cid: 301265
inchi:
InChI=1/C38H54O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-14,20-21,23-24,27-30,32,39,41,44-46,48H,11,15-17H2,1-9H3

smiles:
O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C


name: (R*,S*)-10-acetoxy-9-hydroxyoctadecanoic acid
cas: 13980-33-1
formula: C20H38O5
inchikey: HLAIKHVEJBSLQS-UHFFFAOYSA-N
norman_susdat_id: NS00051641
pubchem_cid: 85667
smiles: O=C(O)CCCCCCCC(O)C(OC(=O)C)CCCCCCCC
inchi:
InChI=1/C20H38O5/c1-3-4-5-6-9-12-15-19(25-17(2)21)18(22)14-11-8-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)


cas: 1398498-88-8
inchikey: XIOMQTLHOSIVAW-UHFFFAOYSA-L
norman_susdat_id: NS00078151
smiles: NC(CNC1=NC(=NC(=N1)F)NC1=C(C=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+][H+]
name:
sodium hydrogen 2-({4-[(2-aminopropyl)amino]-6-fluoro-1,3,5-triazin-2-yl}amino)benzene-1,4-disulfonate (1:1:1)


name: 6-(2-Diethylaminoethylamino)-2,4,9-(trimethyl)thiochromeno(2,3-b)pyridin-5-one
cas: 13988-28-8
chemspiderid: 75906
dtxsid: DTXSID20161182
formula: C21H27N3O1S1
inchikey: CYJKCTSECWDKKL-UHFFFAOYSA-N
norman_susdat_id: NS00024525
pubchem_cid: 84136
smiles: CCN(CC)CCNc1ccc(C)c2c1c(=O)c1c(C)cc(C)nc1s2
inchi:
InChI=1S/C21H27N3OS/c1-6-24(7-2)11-10-22-16-9-8-13(3)20-18(16)19(25)17-14(4)12-15(5)23-21(17)26-20/h8-9,12,22H,6-7,10-11H2,1-5H3


name: 1-(p-ethoxyphenyl)-N,N-diethyl-3-phenylbutylamine
cas: 13988-32-4
dtxsid: DTXSID30930644
formula: C22H31NO
inchikey: FCLYRXWNSYOOPG-UHFFFAOYSA-N
norman_susdat_id: NS00051249
pubchem_cid: 25342
smiles: O(C1=CC=C(C=C1)C(N(CC)CC)CC(C=2C=CC=CC2)C)CC
inchi:
InChI=1/C22H31NO/c1-5-23(6-2)22(17-18(4)19-11-9-8-10-12-19)20-13-15-21(16-14-20)24-7-3/h8-16,18,22H,5-7,17H2,1-4H3


name: N-Phenyl-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 13989-98-5
chemspiderid: 75907
dtxsid: DTXSID50161190
formula: C17H14N1O5P1
inchikey: KVIYXIWBXOQZDN-UHFFFAOYSA-N
norman_susdat_id: NS00024527
pubchem_cid: 84137
smiles: OP(=O)(O)Oc1cc2c(cccc2)cc1C(=O)Nc1ccccc1
inchi:
InChI=1S/C17H14NO5P/c19-17(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)23-24(20,21)22/h1-11H,(H,18,19)(H2,20,21,22)


name: Delphisine
cas: 1399-07-1
chemspiderid: 13890750
formula: C28H43NO8
inchikey: HRNMOJZLZGYPOJ-PQJDTJHCSA-N
norman_susdat_id: NS00094360
pubchem_cid: 10207530
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)OC(=O)C)OC)O)COC


name: Globularin
cas: 1399-49-1
chemspiderid: 21603201
formula: C24H28O11
inchikey: SCIGYBYAZUFDLA-LUVHZPKESA-N
norman_susdat_id: NS00093932
pubchem_cid: 10235035
smiles:
C1=CC=C(C=C1)/C=C/C(=O)OC[C@@]23[C@@H]4[C@@H](C=CO[C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[C@@H]([C@@H]2O3)O


name: PSB-SB1202
cas: 1399049-60-5
chemspiderid: 28668367
formula: C23H26O4
inchikey: VZYCAUIYIZSPQY-UHFFFAOYSA-N
norman_susdat_id: NS00017664
pubchem_cid: 70677953
smiles: CCCCCC1=CC2=C(C=C(C(=O)O2)CC3=CC=CC=C3OC)C(=C1)OC
inchi:
InChI=1S/C23H26O4/c1-4-5-6-9-16-12-21(26-3)19-15-18(23(24)27-22(19)13-16)14-17-10-7-8-11-20(17)25-2/h7-8,10-13,15H,4-6,9,14H2,1-3H3


name: Diclocymet
cas: 139920-32-4
chebiid: CHEBI:81799
chemspiderid: 9635970
dtxsid: DTXSID4057970
formula: C15H18Cl2N2O1
inchikey: YEJGPFZQLRMXOI-PKEIRNPWSA-N
norman_susdat_id: NS00021638
pubchem_cid: 11527333
smiles: C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1c(Cl)cc(Cl)cc1
inchi:
InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12-/m1/s1


name: Metiazinic acid
cas: 13993-65-2
chebiid: CHEBI:31838
chemspiderid: 4020
dtxsid: DTXSID7023308
formula: C15H13N1O2S1
inchikey: LMINNBXUMGNKMM-UHFFFAOYSA-N
norman_susdat_id: NS00024529
pubchem_cid: 4164
smiles: CN1c2c(Sc3c1cc(CC(=O)O)cc3)cccc2
inchi:
InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)


name: Metaflumizone
cas: 139968-49-3
chemspiderid: 8003271
dtxsid: DTXSID6040373
formula: C24H16F6N4O2
inchikey: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
norman_susdat_id: NS00001023
pubchem_cid: 20056430
smiles: FC(F)(F)Oc1ccc(NC(=O)NN=C(Cc2ccc(cc2)C#N)c2cccc(c2)C(F)(F)F)cc1
eea_notation: CAS_139968-49-3
inchi:
InChI=1S/C24H16F6N4O2/c25-23(26,27)18-3-1-2-17(13-18)21(12-15-4-6-16(14-31)7-5-15)33-34-22(35)32-19-8-10-20(11-9-19)36-24(28,29)30/h1-11,13H,12H2,(H2,32,34,35)


name: Nequinate
cas: 13997-19-8
chebiid: CHEBI:166580
chemspiderid: 24579
dtxsid: DTXSID2048610
formula: C22H23N1O4
inchikey: NNOPDLNHPOLRRE-UHFFFAOYSA-N
norman_susdat_id: NS00024531
pubchem_cid: 26383
smiles: CCCCc1cc2c([nH]cc(C(=O)OC)c2=O)cc1OCc1ccccc1
inchi:
InChI=1S/C22H23NO4/c1-3-4-10-16-11-17-19(23-13-18(21(17)24)22(25)26-2)12-20(16)27-14-15-8-6-5-7-9-15/h5-9,11-13H,3-4,10,14H2,1-2H3,(H,23,24)


name: Octadecanamide, N,N'-(iminodi-3,1-propanediyl)bis-
cas: 13998-73-7
chemspiderid: 75913
dtxsid: DTXSID5065691
formula: C42H85N3O2
inchikey: VVCMLFGVBUXGEC-UHFFFAOYSA-N
norman_susdat_id: NS00024533
pubchem_cid: 84145
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H85N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41(46)44-39-33-37-43-38-34-40-45-42(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-40H2,1-2H3,(H,44,46)(H,45,47)


name: (Methylimino)diethane-1,2-diyl distearate
cas: 13998-76-0
chemspiderid: 75914
dtxsid: DTXSID00161206
formula: C41H81N1O4
inchikey: TZMDJYBJDWYXPR-UHFFFAOYSA-N
norman_susdat_id: NS00024534
pubchem_cid: 84146
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C41H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(43)45-38-36-42(3)37-39-46-41(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3


name: Sodium 1-propyl 10-(sulphooxy)octadecanoate
cas: 140-00-1
dtxsid: DTXSID10930687
formula: C21H42O6S
inchikey: CCLRUAXJCKJXAL-UHFFFAOYSA-N
norman_susdat_id: NS00041626
pubchem_cid: 101625
smiles: [Na+].O=C(OCCC)CCCCCCCCC(OS(=O)(=O)O)CCCCCCCC
inchi:
InChI=1/C21H42O6S.Na/c1-3-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19-4-2;/h20H,3-19H2,1-2H3,(H,23,24,25);/q;+1


name: Diethylenetriaminepentaacetic acid pentasodium salt
cas: 140-01-2
dtxsid: DTXSID9027077
formula: C14H18N3Na5O10
inchikey: LQPLDXQVILYOOL-UHFFFAOYSA-I
norman_susdat_id: NS00099618
smiles: [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C14H23N3O10.5Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;;/q;5*+1/p-5


name: Methyl (9Z,12R)-12-(acetyloxy)octadec-9-enoate
cas: 140-03-4
chebiid: CHEBI:31831
chemspiderid: 4445316
dtxsid: DTXSID8051706
formula: C21H38O4
inchikey: CMOYPQWMTBSLJK-KAMYIIQDSA-N
norman_susdat_id: NS00013849
pubchem_cid: 5282107
smiles: CCCCCCC(CC=C/CCCCCCCC(=O)OC)OC(C)=O
inchi:
InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-


name: 9-Octadecenoic acid, 12-(acetyloxy)-, butyl ester, (9Z,12R)-
cas: 140-04-5
chemspiderid: 4575617
dtxsid: DTXSID30883328
formula: C24H44O4
inchikey: BEWFIPLBFJGWSR-SSZFMOIBSA-N
norman_susdat_id: NS00013413
pubchem_cid: 5462846
smiles: CCCCCC[C@H](CC=C/CCCCCCCC(=O)OCCCC)OC(C)=O
inchi:
InChI=1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1


name: 2-methoxyethyl (R)-12-(acetoxy)oleate
cas: 140-05-6
formula: C23H42O5
inchikey: BJJRVZBBFAXWGR-QOYCNBSOSA-N
norman_susdat_id: NS00041632
pubchem_cid: 5354167
smiles: O=C(OC(CC=CCCCCCCCC(=O)OCCOC)CCCCCC)C
inchi:
InChI=1/C23H42O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h11,14,22H,4-10,12-13,15-20H2,1-3H3


name: Decanedioic acid, bis(phenylmethyl) ester
cas: 140-24-9
chemspiderid: 8460
dtxsid: DTXSID2059691
formula: C24H30O4
inchikey: DVLXEVMGHXWBOZ-UHFFFAOYSA-N
norman_susdat_id: NS00024544
pubchem_cid: 8790
smiles: O=C(CCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1
inchi:
InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2


name: Dodecanoic acid, phenylmethyl ester
cas: 140-25-0
chemspiderid: 8461
dtxsid: DTXSID7059692
formula: C19H30O2
inchikey: QNRYOQRUGRVBRL-UHFFFAOYSA-N
norman_susdat_id: NS00012008
pubchem_cid: 8791
smiles: CCCCCCCCCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3


name: Sodium hydrogen [4-[(hydroxyacetyl)amino]phenyl]arsonate
cas: 140-45-4
formula: C8H10AsNO5.Na
inchikey: UBGOFPKOVIKDPL-UHFFFAOYSA-L
norman_susdat_id: NS00079205
smiles: [Na+].OCC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-]
inchi:
InChI=1/C8H10AsNO5.Na/c11-5-8(12)10-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H,10,12)(H2,13,14,15);/q;+1/p-2


name: Fenaminosulf
cas: 140-56-7
chemspiderid: 8477
dtxsid: DTXSID6040371
formula: C8H11N3O3S1
inchikey: IWDQPCIQCXRBQP-RRABGKBLSA-M
norman_susdat_id: NS00015274
pubchem_cid: NA
smiles: CN(C)C1=CC=C(C=C1)/N=N/S(=O)(=O)[O-].[Na+]
inchi:
InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1/b10-9+;


name: Aramite
cas: 140-57-8
chebiid: CHEBI:82151
chemspiderid: 8479
dtxsid: DTXSID3020097
formula: C15H23Cl1O4S1
inchikey: YKFRAOGHWKADFJ-UHFFFAOYSA-N
norman_susdat_id: NS00002351
pubchem_cid: 8809
smiles: CC(COc1ccc(cc1)C(C)(C)C)OS(=O)OCCCl
eea_notation: CAS_140-57-8
inchi:
InChI=1S/C15H23ClO4S/c1-12(20-21(17)19-10-9-16)11-18-14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11H2,1-4H3


name: 4-Decylbenzenesulfonic acid (C10-LAS Linear)
cas: 140-60-3
chemspiderid: 8481
dtxsid: DTXSID7059696
formula: C16H26O3S1
inchikey: UASQKKHYUPBQJR-UHFFFAOYSA-N
norman_susdat_id: NS00024553
pubchem_cid: 8812
smiles: CCCCCCCCCCc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C16H26O3S/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)20(17,18)19/h11-14H,2-10H2,1H3,(H,17,18,19)


name: Pentamidine isethionate
cas: 140-64-7
chebiid: CHEBI:7977
dtxsid: DTXSID5023796
formula: C23H36N4O10S2
inchikey: YBVNFKZSMZGRAD-UHFFFAOYSA-N
norman_susdat_id: NS00076326
smiles: OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1
inchi:
InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)


name: Pramocaine (Pramoxine)
cas: 140-65-8
chebiid: CHEBI:8357
chemspiderid: 4717
dtxsid: DTXSID8040692
formula: C17H27N1O3
inchikey: DQKXQSGTHWVTAD-UHFFFAOYSA-N
norman_susdat_id: NS00000592
pubchem_cid: 4886
smiles: CCCCOC1=CC=C(OCCCN2CCOCC2)C=C1
inchi:
InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3


name: Cetylpyridinium bromide
cas: 140-72-7
chebiid: CHEBI:77052
formula: C21H38N.Br
inchikey: DVBJBNKEBPCGSY-UHFFFAOYSA-M
norman_susdat_id: NS00079614
smiles: [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1
inchi:
InChI=1/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1


name: 1,6-Hexanediamine, N,N'-bis(3-phenyl-2-propenylidene)-
cas: 140-73-8
chemspiderid: 60656
dtxsid: DTXSID2059697
formula: C24H28N2
inchikey: ATPFMBHTMKBVLS-UHFFFAOYSA-N
norman_susdat_id: NS00020582
pubchem_cid: 67325
smiles: C(CCCN=C/C=C/c1ccccc1)CCN=C/C=C/c1ccccc1
inchi:
InChI=1S/C24H28N2/c1(9-19-25-21-11-17-23-13-5-3-6-14-23)2-10-20-26-22-12-18-24-15-7-4-8-16-24/h3-8,11-18,21-22H,1-2,9-10,19-20H2/b17-11+,18-12+,25-21+,26-22+


name: Karakin
cas: 1400-11-9
chebiid: CHEBI:6112
chemspiderid: 200274
formula: C15H21N3O15
inchikey: CNURKUNYCXCBEK-WMNSZERYSA-N
norman_susdat_id: NS00094110
pubchem_cid: 90622
smiles:
C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O


name: O,O'-(5-oxo-1,3-dioxolan-4-ylidene)bis(methylenecarbonyl)di(salicylic acid)
cas: 1400-58-4
dtxsid: DTXSID60930692
formula: C21H16O11
inchikey: MZRMRMTUUHHONC-UHFFFAOYSA-N
norman_susdat_id: NS00044900
pubchem_cid: 102118
smiles: O=C(O)C=1C=CC=CC1OC(=O)CC2(OCOC2=O)CC(=O)OC=3C=CC=CC3C(=O)O
inchi:
InChI=1/C21H16O11/c22-16(31-14-7-3-1-5-12(14)18(24)25)9-21(20(28)29-11-30-21)10-17(23)32-15-8-4-2-6-13(15)19(26)27/h1-8H,9-11H2,(H,24,25)(H,26,27)


name: Nystatin
cas: 1400-61-9
chemspiderid: 10626880
dtxsid: DTXSID4040688
formula: C47H75N1O17
inchikey: VQOXZBDYSJBXMA-GLBPGAGLSA-N
norman_susdat_id: NS00000545
pubchem_cid: 6420032
inchi:
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

smiles:
CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O


name: Orcein
cas: 1400-62-0
chebiid: CHEBI:90290
formula: C28H24N2O7
inchikey: VPEASJIRGSVXBF-UHFFFAOYSA-N
norman_susdat_id: NS00044840
pubchem_cid: NA
smiles: O=C1C=C2OC3=CC(=O)C(NC=4C(O)=CC(O)=CC4C)=C(C3=C2C(=C1NC=5C(O)=CC(O)=CC5C)C)C
inchi:
InChI=1/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3


name: 2,2-Bis(4-hydroxyphenyl)-n-hexane
cas: 14007-30-8
chemspiderid: 10632866
formula: C18H22O2
inchikey: ZQTPHEAGPRFALE-UHFFFAOYSA-N
norman_susdat_id: NS00004433
pubchem_cid: 12627538
smiles: CCCCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H22O2/c1-3-4-13-18(2,14-5-9-16(19)10-6-14)15-7-11-17(20)12-8-15/h5-12,19-20H,3-4,13H2,1-2H3


name: ambutonium
cas: 14007-49-9
chebiid: CHEBI:135331
chemspiderid: 7978
formula: C20H27N2O1
inchikey: KFZMXOLSYABOSE-UHFFFAOYSA-O
norman_susdat_id: NS00007145
pubchem_cid: 8277
smiles: CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H26N2O/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H-,21,23)/p+1


name: 3,20-Dioxopregn-4-en-21-yl 3-phenylpropanoate
cas: 14007-50-2
chemspiderid: 10043896
dtxsid: DTXSID80930699
formula: C30H38O4
inchikey: WPQKMAWYKDSBAX-UHFFFAOYSA-N
norman_susdat_id: NS00010351
pubchem_cid: 11869565
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)CCc4ccccc4)CCC5=CC(=O)CC[C@]35C
inchi:
InChI=1/C30H38O4/c1-29-16-14-22(31)18-21(29)9-10-23-24-11-12-26(30(24,2)17-15-25(23)29)27(32)19-34-28(33)13-8-20-6-4-3-5-7-20/h3-7,18,23-26H,8-17,19H2,1-2H3


name: a,a-diphenylpiperidine-1-butyramide monohydrochloride
cas: 14007-53-5
formula: C21H26N2O.ClH
inchikey: GNQVMBPLQIGMHJ-UHFFFAOYSA-N
norman_susdat_id: NS00084708
smiles: Cl.NC(=O)C(CCN1CCCCC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H26N2O.ClH/c22-20(24)21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-23-15-8-3-9-16-23;/h1-2,4-7,10-13H,3,8-9,14-17H2,(H2,22,24);1H


name: 1-(5-Fluoropentyl)-N-(tricyclo[3.3.1.1~3,7~]decan-1-yl)-1H-indazole-3-carboxamide
cas: 1400742-13-3
chemspiderid: 29339965
dtxsid: DTXSID80856800
formula: C23H30F1N3O1
inchikey: UCMFSGVIEPXYIV-UHFFFAOYSA-N
norman_susdat_id: NS00017622
pubchem_cid: 71711119
smiles: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C5=CC=CC=C54)CCCCCF
inchi:
InChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)


name: 5F-CUMYL-PINACA
cas: 1400742-16-6
chemspiderid: 35228406
formula: C22H26F1N3O1
inchikey: XSHGVIPHMOTDCS-UHFFFAOYSA-N
norman_susdat_id: NS00017965
pubchem_cid: 86274158
smiles: CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CCCCCF
inchi:
InChI=1S/C22H26FN3O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,15-16H2,1-2H3,(H,24,27)


name: Quinolin-8-yl 1-pentyl-1H-indole-3-carboxylate
cas: 1400742-17-7
chemspiderid: 29339966
dtxsid: DTXSID70856177
formula: C23H22N2O2
inchikey: ZAVGICCEAOUWFM-UHFFFAOYSA-N
norman_susdat_id: NS00017914
pubchem_cid: 71604304
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)OC3=CC=CC4=C3N=CC=C4
inchi:
InChI=1S/C23H22N2O2/c1-2-3-6-15-25-16-19(18-11-4-5-12-20(18)25)23(26)27-21-13-7-9-17-10-8-14-24-22(17)21/h4-5,7-14,16H,2-3,6,15H2,1H3


name: 5-Fluoro CUMYL-PICA
cas: 1400742-18-8
chemspiderid: 34975846
formula: C23H27F1N2O1
inchikey: ZJCYQNSYQBCKOD-UHFFFAOYSA-N
norman_susdat_id: NS00017967
pubchem_cid: 117650397
smiles: CC(C)(C1=CC=CC=C1)NC(=O)C2=CN(C3=CC=CC=C32)CCCCCF
inchi:
InChI=1S/C23H27FN2O/c1-23(2,18-11-5-3-6-12-18)25-22(27)20-17-26(16-10-4-9-15-24)21-14-8-7-13-19(20)21/h3,5-8,11-14,17H,4,9-10,15-16H2,1-2H3,(H,25,27)


name: CUMYL-PICA
cas: 1400742-32-6
chemspiderid: 34450887
formula: C23H28N2O1
inchikey: RCXFMWJQOYCIQU-UHFFFAOYSA-N
norman_susdat_id: NS00017920
pubchem_cid: 86273678
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC(C)(C)C3=CC=CC=C3
inchi:
InChI=1S/C23H28N2O/c1-4-5-11-16-25-17-20(19-14-9-10-15-21(19)25)22(26)24-23(2,3)18-12-7-6-8-13-18/h6-10,12-15,17H,4-5,11,16H2,1-3H3,(H,24,26)


name: JWH 018 8-quinolinyl carboxamide
cas: 1400742-39-3
chemspiderid: 29763733
formula: C23H23N3O1
inchikey: LSDZETPTKCENTH-UHFFFAOYSA-N
norman_susdat_id: NS00017657
pubchem_cid: 124519291
smiles: O=C(NC1=C(N=CC=C2)C2=CC=C1)C3=CN(CCCCC)C4=C3C=CC=C4
inchi:
InChI=1S/C23H23N3O/c1-2-3-6-15-26-16-19(18-11-4-5-13-21(18)26)23(27)25-20-12-7-9-17-10-8-14-24-22(17)20/h4-5,7-14,16H,2-3,6,15H2,1H3,(H,25,27)


name: Quinolin-8-yl 2-fluoro-1-pentyl-1H-indole-3-carboxylate
cas: 1400742-41-7
chemspiderid: 29341631
dtxsid: DTXSID60857138
formula: C23H21F1N2O2
inchikey: MBOCMBFDYVSGLJ-UHFFFAOYSA-N
norman_susdat_id: NS00017924
pubchem_cid: 72710774
smiles: C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)OC3=CC=CC4=C3N=CC=C4
inchi:
InChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(18-10-2-3-11-20(18)26)23(27)28-21-12-6-8-17-9-7-14-25-22(17)21/h2-3,6-12,14,16H,1,4-5,13,15H2


name: Quinolin-8-yl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate
cas: 1400742-42-8
chemspiderid: 29339967
dtxsid: DTXSID40856801
formula: C25H24N2O2
inchikey: RHYGTJXOHOGQGI-UHFFFAOYSA-N
norman_susdat_id: NS00017592
pubchem_cid: 71711120
smiles: C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)OC4=CC=CC5=C4N=CC=C5
inchi:
InChI=1S/C25H24N2O2/c28-25(29-23-14-6-10-19-11-7-15-26-24(19)23)21-17-27(16-18-8-2-1-3-9-18)22-13-5-4-12-20(21)22/h4-7,10-15,17-18H,1-3,8-9,16H2


name: CUMYL-THPINACA
cas: 1400742-50-8
chemspiderid: 48057932
formula: C23H27N3O2
inchikey: HINCNLQQLQFMRD-UHFFFAOYSA-N
norman_susdat_id: NS00018059
pubchem_cid: 86273679
smiles: CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CC4CCOCC4
inchi:
InChI=1S/C23H27N3O2/c1-23(2,18-8-4-3-5-9-18)24-22(27)21-19-10-6-7-11-20(19)26(25-21)16-17-12-14-28-15-13-17/h3-11,17H,12-16H2,1-2H3,(H,24,27)


name: Metopimazine
cas: 14008-44-7
chebiid: CHEBI:135726
chemspiderid: 24584
dtxsid: DTXSID80161224
formula: C22H27N3O3S2
inchikey: BQDBKDMTIJBJLA-UHFFFAOYSA-N
norman_susdat_id: NS00009519
pubchem_cid: 26388
smiles: CS(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CC3)C(O)=N)c2c1
inchi:
InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)


name: Bisoxatin acetate
cas: 14008-48-1
chebiid: CHEBI:31294
chemspiderid: 24586
dtxsid: DTXSID1048839
formula: C24H19N1O6
inchikey: ZCBJDQBSLZREAA-UHFFFAOYSA-N
norman_susdat_id: NS00024540
pubchem_cid: 26391
smiles: CC(=O)Oc1ccc(cc1)C1(Oc2c(NC1=O)cccc2)c1ccc(OC(=O)C)cc1
inchi:
InChI=1S/C24H19NO6/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)23(28)25-21-5-3-4-6-22(21)31-24/h3-14H,1-2H3,(H,25,28)


cas: 1400811-63-3
formula: C23H32FN3O4
inchikey: AGMOFKKOVMRGAK-UHFFFAOYSA-N
norman_susdat_id: NS00073066
pubchem_cid: 71451950
smiles: CC1(C)C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c2cc(F)ccc21
name:
6-fluoro-n-({1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl}methyl)-3,3-dimethyl-2-oxo-2,3-dihydro-1h-indole-1-carboxamide

inchi:
InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)


name: Drotaverine
cas: 14009-24-6
chebiid: CHEBI:135630
chemspiderid: 1361582
dtxsid: DTXSID60161227
formula: C24H31N1O4
inchikey: OMFNSKIUKYOYRG-MOSHPQCFSA-N
norman_susdat_id: NS00001322
pubchem_cid: 1712095
smiles: CCOc1ccc(C=C2/NCCc3cc(OCC)c(OCC)cc23)cc1OCC
inchi:
InChI=1S/C24H31NO4/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20/h9-10,13-16,25H,5-8,11-12H2,1-4H3/b20-13-


name: Sulfacytine
cas: 1401-49-6
chebiid: CHEBI:135230
chemspiderid: 5131
dtxsid: DTXSID6023606
formula: C12H14N4O3S1
inchikey: SIBQAECNSSQUOD-UHFFFAOYSA-N
norman_susdat_id: NS00011875
pubchem_cid: 5322
smiles: CCn1ccc(nc1=O)NS(=O)(=O)c2ccc(cc2)N
inchi:
InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)


name: Tannic acid
cas: 1401-55-4
chemspiderid: 17286666
dtxsid: DTXSID2026076
formula: C76H52O46
inchikey: LRBQNJMCXXYXIU-UHFFFAOYSA-N
norman_susdat_id: NS00014144
pubchem_cid: 16129878
inchi:
InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2

smiles:
Oc1cc(cc(O)c1O)C(=O)Oc2cc(cc(O)c2O)C(=O)OCC3OC(OC(=O)c4cc(O)c(O)c(OC(=O)c5cc(O)c(O)c(O)c5)c4)C(OC(=O)c6cc(O)c(O)c(OC(=O)c7cc(O)c(O)c(O)c7)c6)C(OC(=O)c8cc(O)c(O)c(OC(=O)c9cc(O)c(O)c(O)c9)c8)C3OC(=O)c%10cc(O)c(O)c(OC(=O)c%11cc(O)c(O)c(O)c%11)c%10


name: Tylosin
cas: 1401-69-0
chebiid: CHEBI:17658
chemspiderid: 4865403
dtxsid: DTXSID3043996
formula: C46H77N1O17
inchikey: WBPYTXDJUQJLPQ-VMXQISHHSA-N
norman_susdat_id: NS00000202
pubchem_cid: 5280440
inchi:
InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1

smiles:
CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC


name: BMS-906024
cas: 1401066-79-2
chebiid: CHEBI:131164
dtxsid: DTXSID30161234
formula: C26H26F6N4O3
inchikey: AYOUDDAETNMCBW-GSHUGGBRSA-N
norman_susdat_id: NS00073292
pubchem_cid: 66550890
smiles: CN1C(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c2ccccc21
inchi:
InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1


name: 3,5-Bis(4-hydroxyphenyl)heptane
cas: 140131-31-3
chemspiderid: 23349719
formula: C19H24O2
inchikey: RMHBBOJSJLXDKB-UHFFFAOYSA-N
norman_susdat_id: NS00004256
pubchem_cid: 85634817
smiles: CCC(CC(CC)c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C19H24O2/c1-3-14(16-5-9-18(20)10-6-16)13-15(4-2)17-7-11-19(21)12-8-17/h5-12,14-15,20-21H,3-4,13H2,1-2H3


name: Ethyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2,2-dihydroxydecanoate
cas: 1401315-53-4
dtxsid: DTXSID00895978
formula: C12H7F17O4
inchikey: PKFAUAHQDYFZIK-UHFFFAOYSA-N
norman_susdat_id: NS00109012
smiles: CCOC(=O)C(O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H7F17O4/c1-2-33-3(30)4(31,32)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/h31-32H,2H2,1H3


name: 2-(Tridecafluorohexyl)-5,6-dihydro-2H-pyran-2-ol
cas: 1401315-55-6
dtxsid: DTXSID20896109
formula: C11H7F13O2
inchikey: DPCIODUZKZAIGF-UHFFFAOYSA-N
norman_susdat_id: NS00109733
smiles: OC1(OCCC=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H7F13O2/c12-6(13,5(25)3-1-2-4-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1,3,25H,2,4H2


cas: 1401422-19-2
dtxsid: DTXSID20897090
formula: C56H55F17N5O8P
inchikey: TXKZBRQFTAORHN-PXGSZKCMSA-N
norman_susdat_id: NS00109805
name:
Cytidine, N-benzoyl-2'-deoxy-5'-O-[[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]bis(4-methoxyphenyl)methyl]-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

inchi:
InChI=1S/C56H55F17N5O8P/c1-33(2)78(34(3)4)87(84-30-10-28-74)86-42-31-45(77-29-26-44(76-47(77)80)75-46(79)36-11-8-7-9-12-36)85-43(42)32-83-49(38-17-21-40(81-5)22-18-38,39-19-23-41(82-6)24-20-39)37-15-13-35(14-16-37)25-27-48(57,58)50(59,60)51(61,62)52(63,64)53(65,66)54(67,68)55(69,70)56(71,72)73/h7-9,11-24,26,29,33-34,42-43,45H,10,25,27,30-32H2,1-6H3,(H,75,76,79,80)/t42-,43+,45+,87?/m0/s1

smiles:
COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O)(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(OC)C=C1


cas: 1401422-21-6
dtxsid: DTXSID10897504
formula: C54H57F17N7O8P
inchikey: VTRKCHXDEIVAGQ-VSVFBYLCSA-N
norman_susdat_id: NS00109466
name:
Guanosine, 2'-deoxy-5'-O-[[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]bis(4-methoxyphenyl)methyl]-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

inchi:
InChI=1S/C54H57F17N7O8P/c1-29(2)43(79)75-45-74-42-41(44(80)76-45)73-28-77(42)40-26-38(86-87(84-25-9-24-72)78(30(3)4)31(5)6)39(85-40)27-83-47(34-14-18-36(81-7)19-15-34,35-16-20-37(82-8)21-17-35)33-12-10-32(11-13-33)22-23-46(55,56)48(57,58)49(59,60)50(61,62)51(63,64)52(65,66)53(67,68)54(69,70)71/h10-21,28-31,38-40H,9,22-23,25-27H2,1-8H3,(H2,74,75,76,79,80)/t38-,39+,40?,87?/m0/s1

smiles:
COC1=CC=C(C=C1)C(OC[C@H]1OC(C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=NC2=C1N=C(NC(=O)C(C)C)NC2=O)(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(OC)C=C1


cas: 1401422-22-7
dtxsid: DTXSID30897506
formula: C53H55F17N7O7P
inchikey: NOGHXMRZDNHCTE-INEHKVIGSA-N
norman_susdat_id: NS00110155
name:
Guanosine, 2'-deoxy-5'-O-[[4-(1H,1H,2H,2H-perfluorodecyl)phenyl](4-methoxyphenyl)phenylmethyl]-N-(2-methyl-1-oxopropyl)-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

inchi:
InChI=1S/C53H55F17N7O7P/c1-29(2)42(78)74-44-73-41-40(43(79)75-44)72-28-76(41)39-26-37(84-85(82-25-11-24-71)77(30(3)4)31(5)6)38(83-39)27-81-46(33-12-9-8-10-13-33,35-18-20-36(80-7)21-19-35)34-16-14-32(15-17-34)22-23-45(54,55)47(56,57)48(58,59)49(60,61)50(62,63)51(64,65)52(66,67)53(68,69)70/h8-10,12-21,28-31,37-39H,11,22-23,25-27H2,1-7H3,(H2,73,74,75,78,79)/t37-,38+,39?,46?,85?/m0/s1

smiles:
COC1=CC=C(C=C1)C(OC[C@H]1OC(C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=NC2=C1N=C(NC(=O)C(C)C)NC2=O)(C1=CC=CC=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: Averufin
cas: 14016-29-6
chebiid: CHEBI:71537
chemspiderid: 553843
dtxsid: DTXSID10891789
formula: C20H16O7
inchikey: RYFFZJHGQCKWMV-YUNKPMOVSA-N
norman_susdat_id: NS00094876
pubchem_cid: 131171
smiles: C[C@]12CCC[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C=C(C=C5C4=O)O)O
inchi:
InChI=1S/C20H16O7/c1-20-4-2-3-12(26-20)16-13(27-20)7-10-15(19(16)25)18(24)14-9(17(10)23)5-8(21)6-11(14)22/h5-7,12,21-22,25H,2-4H2,1H3/t12-,20-/m0/s1


name: (S)-(-)-5-Fluorowillardine
cas: 140187-23-1
chebiid: CHEBI:42549
dtxsid: DTXSID1042609
formula: C7H8FN3O4
inchikey: DBWPFHJYSTVBCZ-BYPYZUCNSA-N
norman_susdat_id: NS00069034
pubchem_cid: 126569
smiles: N[C@@H](Cn1cc(F)c(=O)[nH]c1=O)C(=O)O
inchi:
InChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1


name: 5-iodowallardine
cas: 140187-25-3
dtxsid: DTXSID90332246
formula: C7H8IN3O4
inchikey: AXXYLTBQIQBTES-BYPYZUCNSA-N
norman_susdat_id: NS00068958
pubchem_cid: 447196
smiles: N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O
inchi:
InChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1


name: Amphomycin
cas: 1402-82-0
chemspiderid: 4572450
formula: C58H91N13O20
inchikey: WAFOSUDOWLQGBG-NUZIGYSUSA-N
norman_susdat_id: NS00018023
pubchem_cid: NA
inchi:
InChI=1S/C58H91N13O20/c1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)69-48-33(7)62-52(84)38-20-17-23-71(38)56(88)45(29(2)3)67-55(87)47(32(6)59)66-41(74)28-61-49(81)34(24-42(75)76)64-40(73)27-60-50(82)35(25-43(77)78)65-54(86)46(31(5)58(90)91)68-53(85)37-19-15-16-22-70(37)57(48)89/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,85)(H,69,83)(H,75,76)(H,77,78)(H,79,80)(H,90,91)/b14-12-/t30?,31-,32+,33+,34-,35-,36-,37+,38-,45-,46-,47+,48-/m0/s1

smiles:
O=C([C@@H]1N(CCCC1)C([C@@](NC([C@@H](NC(C/C=CCCCCCC(CC)C)=O)CC(O)=O)=O)([C@H](NC([C@@H]2CCCN2C([C@@H](NC([C@@]([H])([C@H](N)C)N3)=O)C(C)C)=O)=O)C)[H])=O)N[C@@]([C@@H](C(O)=O)C)(C(N[C@H](C(NCC(N[C@@H](CC(O)=O)C(NCC3=O)=O)=O)=O)CC(O)=O)=O)[H]


name: 2,2-METHYLENEBIS(4-METHYL-6-TERT- OCTYLPHENOL)
cas: 14020-52-1
dtxsid: DTXSID9051298
formula: C31H48O2
inchikey: LLLUKUXKUSKFLO-UHFFFAOYSA-N
norman_susdat_id: NS00113660
smiles: CC1=CC(CC2=CC(C)=CC(=C2O)C(C)(C)CC(C)(C)C)=C(O)C(=C1)C(C)(C)CC(C)(C)C
inchi:
InChI=1S/C31H48O2/c1-20-13-22(26(32)24(15-20)30(9,10)18-28(3,4)5)17-23-14-21(2)16-25(27(23)33)31(11,12)19-29(6,7)8/h13-16,32-33H,17-19H2,1-12H3


name: 3ß-hydroxy-2'-methyl-16ß-5'H-pregn-5-eno[17,16-d]oxazol-20-one
cas: 14022-55-0
dtxsid: DTXSID50930742
formula: C23H33NO3
inchikey: DZPFGVQQPONIOI-UHFFFAOYSA-N
norman_susdat_id: NS00052932
pubchem_cid: 85672
smiles: O=C(C)C12N=C(OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)C
inchi:
InChI=1/C23H33NO3/c1-13(25)23-20(27-14(2)24-23)12-19-17-6-5-15-11-16(26)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,26H,6-12H2,1-4H3


name: Benzyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 140229-81-8
dtxsid: DTXSID40896540
formula: C16H7F17O4
inchikey: DWLOORGSOPGRDQ-UHFFFAOYSA-N
norman_susdat_id: NS00110463
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OCc1ccccc1)C(F)(F)F
inchi:
InChI=1/C16H7F17O4/c17-9(12(21,22)23,8(34)35-6-7-4-2-1-3-5-7)36-16(32,33)11(20,14(27,28)29)37-15(30,31)10(18,19)13(24,25)26/h1-5H,6H2


name: Esculentagenin
cas: 140231-40-9
chemspiderid: 132278
formula: C31H46O8
inchikey: UDGHUYMQCJZOHS-BUPAAZKASA-N
norman_susdat_id: NS00093731
pubchem_cid: 116822
smiles:
C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)OC


name: Amoxapine
cas: 14028-44-5
chebiid: CHEBI:2675
chemspiderid: 2085
dtxsid: DTXSID7022598
formula: C17H16Cl1N3O1
inchikey: QWGDMFLQWFTERH-UHFFFAOYSA-N
norman_susdat_id: NS00010454
pubchem_cid: 2170
smiles: c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4
inchi:
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2


name: Alpinine
cas: 14028-90-1
chebiid: CHEBI:2610
chemspiderid: 390679
dtxsid: DTXSID10331756
formula: C23H29NO6
inchikey: NGGOLDIRUNJLSH-GIWBLDEGSA-N
norman_susdat_id: NS00094635
pubchem_cid: 442162
smiles: CO[C@H]1O[C@@H]2[C@H](N(C)CCC3=CC(OC)=C(OC)C=C23)C2=C1C(OC)=C(OC)C=C2
inchi:
InChI=1S/C23H29NO6/c1-24-10-9-13-11-17(26-3)18(27-4)12-15(13)21-20(24)14-7-8-16(25-2)22(28-5)19(14)23(29-6)30-21/h7-8,11-12,20-21,23H,9-10H2,1-6H3/t20-,21+,23+/m1/s1


name: Alpinigenine
cas: 14028-91-2
dtxsid: DTXSID40161301
formula: C22H27NO6
inchikey: CJYNYVSDQZLRSG-RZUBCFFCSA-N
norman_susdat_id: NS00094695
pubchem_cid: 613751
smiles: COC1=C(OC)C=C2[C@@H]3O[C@@H](O)C4=C(C=CC(OC)=C4OC)[C@H]3N(C)CCC2=C1
inchi:
InChI=1S/C22H27NO6/c1-23-9-8-12-10-16(26-3)17(27-4)11-14(12)20-19(23)13-6-7-15(25-2)21(28-5)18(13)22(24)29-20/h6-7,10-11,19-20,22,24H,8-9H2,1-5H3/t19-,20+,22-/m1/s1


name: B-(3,5-bis(Perfluoro-1-methylethyl)phenyl)boronic acid
cas: 1402929-36-5
dtxsid: DTXSID20897494
formula: C12H5BF14O2
inchikey: YQAPCAVWNDLIRB-UHFFFAOYSA-N
norman_susdat_id: NS00109816
smiles: OB(O)C1=CC(=CC(=C1)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12H5BF14O2/c14-7(9(16,17)18,10(19,20)21)4-1-5(3-6(2-4)13(28)29)8(15,11(22,23)24)12(25,26)27/h1-3,28-29H


name: Spiramycin II
cas: 1403-58-3
chebiid: CHEBI:31168
chemspiderid: 4445368
formula: C45H76N2O15
inchikey: ZPCCSZFPOXBNDL-RSMXASMKSA-N
norman_susdat_id: NS00011659
pubchem_cid: 5282173
inchi:
InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

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


name: Gentamicin
cas: 1403-66-3
chemspiderid: 3348
dtxsid: DTXSID5034642
formula: C21H43N5O7
inchikey: CEAZRRDELHUEMR-UHFFFAOYSA-N
norman_susdat_id: NS00002225
pubchem_cid: 3467
smiles: CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1
inchi:
InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3


name: N-Benzyloxycarbonyl-L-prolyl-L-alanine
cas: 14030-00-3
chemspiderid: 66198
dtxsid: DTXSID20161304
formula: C16H20N2O5
inchikey: XMVYSQUPGXSTJR-AAEUAGOBSA-N
norman_susdat_id: NS00024546
pubchem_cid: 73513
smiles: C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C16H20N2O5/c1-11(15(20)21)17-14(19)13-8-5-9-18(13)16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,19)(H,20,21)/t11-,13-/m0/s1


cas: 1403254-99-8
formula: C34H44N4O4
inchikey: NSQSAUGJQHDYNO-UHFFFAOYSA-N
norman_susdat_id: NS00073293
pubchem_cid: 66558664
smiles: CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
name:
N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide

inchi:
InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)


name: Esculentoside M
cas: 140364-79-0
chemspiderid: 132281
formula: C48H74O22
inchikey: DTFZRJDDQMLMNU-VTLMFQDDSA-N
norman_susdat_id: NS00093714
pubchem_cid: 116824
smiles:
C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)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)O)C)C)[C@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC


name: Tetrasilver hexacyanoferrate
cas: 14038-75-6
formula: C6FeN6.4Ag
inchikey: OZRXHDZHTBIVJT-UHFFFAOYSA-N
norman_susdat_id: NS00085436
smiles: [Ag+].[Ag+].[Ag+].[Ag+].N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N.N#C[Fe-2](C#N)(C#N)(C#N)(C#N)C#N
inchi:
InChI=1/12CN.4Ag.2Fe/c12*1-2;;;;;;/q;;;;;;;;;;;;4*+1;;/r2C6FeN6.4Ag/c2*8-1-7(2-9,3-10,4-11,5-12)6-13;;;;/q;;4*+1


name: 4-nitro-N-[2-[(4-nitrobenzoyl)amino]propyl]benzamide
cas: 140391-39-5
chemspiderid: 2943753
formula: C17H16N4O6
inchikey: JRINMZUBOOCAEO-UHFFFAOYSA-N
norman_susdat_id: NS00005481
pubchem_cid: 3712479
smiles: CC(CNC(=O)c1ccc(cc1)[N+]([O-])=O)NC(=O)c1ccc(cc1)[N+]([O-])=O
inchi:
InChI=1S/C17H16N4O6/c1-11(19-17(23)13-4-8-15(9-5-13)21(26)27)10-18-16(22)12-2-6-14(7-3-12)20(24)25/h2-9,11H,10H2,1H3,(H,18,22)(H,19,23)


name: Neomycin
cas: 1404-04-2
chemspiderid: 4299
dtxsid: DTXSID9041073
formula: C23H46N6O13
inchikey: PGBHMTALBVVCIT-UHFFFAOYSA-N
norman_susdat_id: NS00010003
pubchem_cid: 4454
smiles: NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O
inchi:
InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2


name: Nogalamycin
cas: 1404-15-5
chebiid: CHEBI:44504
chemspiderid: 4451071
formula: C39H49N1O16
inchikey: KGTDRFCXGRULNK-JYOBTZKQSA-N
norman_susdat_id: NS00011895
pubchem_cid: 5289019
inchi:
InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1

smiles:
C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)N(C)C)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC


name: Polymyxin B
cas: 1404-26-8
inchikey: ZBJNZFQKYZCUJU-DVCWYZLXSA-N
norman_susdat_id: NS00078696
smiles:
CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O.C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)Cc2ccccc2)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)O


name: Tylosin D (Relomycin)
cas: 1404-48-4
chemspiderid: 8255011
formula: C46H79N1O17
inchikey: QDAVFUSCCPXZTE-UHFFFAOYSA-N
norman_susdat_id: NS00002456
pubchem_cid: NA
inchi:
InChI=1S/C46H79NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,18,24-30,32-33,35-45,48,50,52-55H,13,16-17,19-22H2,1-12H3

smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(CCO)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC


name: Rhodomycin B
cas: 1404-52-0
chemspiderid: 16736493
formula: C26H29N1O10
inchikey: ZAARWYVVPWPHMI-OZZQIELRSA-N
norman_susdat_id: NS00011919
pubchem_cid: 20055274
smiles: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@H]([C@@H](c3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)O)O)N(C)C)O
inchi:
InChI=1S/C26H29NO10/c1-9-21(30)11(27(2)3)7-15(36-9)37-14-8-13(29)23(32)18-17(14)25(34)20-19(26(18)35)22(31)10-5-4-6-12(28)16(10)24(20)33/h4-6,9,11,13-15,21,23,28-30,32,34-35H,7-8H2,1-3H3/t9-,11-,13+,14-,15-,21+,23-/m0/s1


name: Oligomycin D
cas: 1404-59-7
chemspiderid: 16735943
formula: C44H72O11
inchikey: LVWVMRBMGDJZLM-WXPRFNGZSA-N
norman_susdat_id: NS00011692
pubchem_cid: 5281902
inchi:
InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m1/s1

smiles:
CC[C@H]1CC[C@@H]2[C@@H]([C@@H](C[C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@]([C@@H]([C@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C


name: Tyrothricin
cas: 1404-88-2
chemspiderid: 398608
dtxsid: DTXSID4045846
formula: C65H85N11O13
inchikey: NLJVXZFCYKWXLH-DXTIXLATSA-N
norman_susdat_id: NS00004008
pubchem_cid: 452550
inchi:
InChI=1S/C65H85N11O13/c1-38(2)32-49-60(84)74-52(36-42-20-12-7-13-21-42)65(89)76-31-15-23-53(76)63(87)73-51(34-41-18-10-6-11-19-41)61(85)70-47(33-40-16-8-5-9-17-40)57(81)48(37-54(67)78)71-59(83)46(28-29-55(79)80)68-50(35-43-24-26-44(77)27-25-43)62(86)75-56(39(3)4)64(88)69-45(22-14-30-66)58(82)72-49/h5-13,16-21,24-27,38-39,45-53,56,68,77H,14-15,22-23,28-37,66H2,1-4H3,(H2,67,78)(H,69,88)(H,70,85)(H,71,83)(H,72,82)(H,73,87)(H,74,84)(H,75,86)(H,79,80)/t45-,46-,47+,48-,49-,50-,51-,52+,53-,56-/m0/s1

smiles:
CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O)C(C)C


name: Vancomycin
cas: 1404-90-6
chemspiderid: 389935
dtxsid: DTXSID0042664
formula: C66H75Cl2N9O24
inchikey: MYPYJXKWCTUITO-UTHKAUQRSA-N
norman_susdat_id: NS00001544
pubchem_cid: 441141
inchi:
InChI=1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48+,49?,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1

smiles:
CN[C@H](CC(C)C)C(=O)NC1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2


name: Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-
cas: 1404190-37-9
chemspiderid: 52324356
dtxsid: DTXSID50889302
formula: C39H48O1
inchikey: GAXIFKVOUILVHY-UHFFFAOYSA-N
norman_susdat_id: NS00020580
pubchem_cid: 129318102
smiles: CCCCCCCCCCOc1ccc(cc1C(C)CC)C(c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1S/C39H48O/c1-4-6-7-8-9-10-11-21-30-40-38-29-28-36(31-37(38)32(3)5-2)39(33-22-15-12-16-23-33,34-24-17-13-18-25-34)35-26-19-14-20-27-35/h12-20,22-29,31-32H,4-11,21,30H2,1-3H3/t32-/m1/s1


name: Hydroxybis(octanoato-O)aluminium
cas: 14049-51-5
formula: C16H31AlO5
inchikey: LWCFEKAQZIMOIH-UHFFFAOYSA-K
norman_susdat_id: NS00085478
smiles: CCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCC
inchi:
InChI=1/2C8H16O2.Al.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2/q;;+3;/p-3/rC16H31AlO5/c1-3-5-7-9-11-13-15(18)21-17(20)22-16(19)14-12-10-8-6-4-2/h20H,3-14H2,1-2H3


name: polymyxin
cas: 1405-20-5
chemspiderid: 2340871
formula: C48H82N16O13
inchikey: SHDUXUNZVQNIOP-UHFFFAOYSA-N
norman_susdat_id: NS00008878
pubchem_cid: 3083709
inchi:
InChI=1S/C48H82N16O13/c1-27(2)24-37-47(76)59-32(11-19-52)41(70)56-31(10-18-51)43(72)61-35(14-22-65)39(68)54-21-13-34(45(74)57-33(12-20-53)44(73)64-38(48(77)63-37)25-28-6-4-3-5-7-28)60-42(71)30(9-17-50)58-46(75)36(15-23-66)62-40(69)29(8-16-49)55-26-67/h3-7,26-27,29-38,65-66H,8-25,49-53H2,1-2H3,(H,54,68)(H,55,67)(H,56,70)(H,57,74)(H,58,75)(H,59,76)(H,60,71)(H,61,72)(H,62,69)(H,63,77)(H,64,73)

smiles:
CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC(=O)C(CCNC(=O)C(CCO)NC(=O)C(CCN)NC(=O)C(CCN)NC1=O)NC(=O)C(CCN)NC(=O)C(CCO)NC(=O)C(CCN)NC=O


name: Capreomycin, sulfate (salt)
cas: 1405-37-4
chemspiderid: 8434
formula: C24H42N14O8
inchikey: LFFNIXQXRKNZCE-XYHGUWSSSA-N
norman_susdat_id: NS00021009
pubchem_cid: 22836615
inchi:
InChI=1S/C24H42N14O8/c25-4-1-2-10(26)17(40)32-7-13-19(42)34-14(8-33-24(29)46)20(43)38-16(12-3-5-30-23(28)37-12)22(45)31-6-11(27)18(41)36-15(9-39)21(44)35-13/h8,10-13,15-16,39H,1-7,9,25-27H2,(H,31,45)(H,32,40)(H,34,42)(H,35,44)(H,36,41)(H,38,43)(H3,28,30,37)(H3,29,33,46)/b14-8-/t10-,11-,12+,13+,15-,16+/m1/s1

smiles:
C1CN=C(NC1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=CNC(=O)N)/C(=O)N2)CNC(=O)[C@H](CCCN)N)CO)N)N.OS(=O)(=O)O


name: Gentamicin C1a
cas: 1405-41-0
chebiid: CHEBI:27784
chemspiderid: 65329
formula: C19H39N5O7
inchikey: VEGXETMJINRLTH-BOZYPMBZSA-N
norman_susdat_id: NS00011538
pubchem_cid: 72396
inchi:
InChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1

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


name: Chlorpheniramine tannate
cas: 1405-56-7
dtxsid: DTXSID90161417
formula: C92H71ClN2O46
inchikey: KOOFUFFGNZKXFG-HBNMXAOGSA-N
norman_susdat_id: NS00076442
inchi:
InChI=1S/C76H52O46.C16H19ClN2/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h1-20,52,63-65,76-101H,21H2;3-9,11,15H,10,12H2,1-2H3/t52-,63-,64+,65-,76+;/m1./s1

smiles:
CN(C)CCC(C1=CC=C(Cl)C=C1)C1=CC=CC=N1.OC1=CC(=CC(O)=C1O)C(=O)OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H](OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1


name: Glycyrrhizin
cas: 1405-86-3
chebiid: CHEBI:15939
chemspiderid: 14263
dtxsid: DTXSID8047006
formula: C42H62O16
inchikey: LPLVUJXQOOQHMX-QWBHMCJMSA-N
norman_susdat_id: NS00008393
pubchem_cid: 14982
inchi:
InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1

smiles:
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O


name: Bacitracin
cas: 1405-87-4
chemspiderid: 2340874
dtxsid: DTXSID8045355
formula: C66H103N17O16S1
inchikey: KHLIFJVRJNYFGN-UHFFFAOYSA-N
norman_susdat_id: NS00007015
pubchem_cid: 3083712
inchi:
InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,39-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)

smiles:
CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(C(C)CC)C(=O)NC1CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CC2C=NC=N2)NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)C(CCCN)NC1=O)C(C)CC


name: Bacitracin zinc
cas: 1405-89-6
dtxsid: DTXSID00858760
formula: C66H103N17O16S
inchikey: UCRLQOPRDMGYOA-BSTANPPRSA-N
norman_susdat_id: NS00044956
pubchem_cid: 65281
inchi:
InChI=1/C66H103N17O16S.Zn/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90;/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88);/q;+2

smiles:
[Zn+2].O=C(O)CCC(NC(=O)C(NC(=O)C1N=C(SC1)C(N)C(C)CC)CC(C)C)C(=O)NC(C(=O)NC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCC2)CC(=O)N)CC(=O)O)CC=3N=CNC3)CC=4C=CC=CC4)C(C)CC)CCCN)C(C)CC


name: Cedr-8-en-15-yl acetate
cas: 1405-92-1
chemspiderid: 92256
dtxsid: DTXSID3051709
formula: C17H26O2
inchikey: AICQDCHSUWFHCC-UHFFFAOYSA-N
norman_susdat_id: NS00012086
pubchem_cid: NA
smiles: C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3COC(C)=O
inchi:
InChI=1S/C17H26O2/c1-11-5-6-15-16(3,4)14-9-17(11,15)8-7-13(14)10-19-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3/t11-,14+,15+,17+/m1/s1


name: garamicidin D
cas: 1405-97-6
chemspiderid: 17286916
formula: C99H140N20O17
inchikey: ZWCXYZRRTRDGQE-SORVKSEFSA-N
norman_susdat_id: NS00007678
pubchem_cid: 16130140
inchi:
InChI=1S/C99H140N20O17/c1-51(2)37-73(109-86(123)59(17)107-81(122)49-105-96(133)82(55(9)10)106-50-121)89(126)108-60(18)87(124)117-84(57(13)14)98(135)119-85(58(15)16)99(136)118-83(56(11)12)97(134)116-80(44-64-48-104-72-34-26-22-30-68(64)72)95(132)112-76(40-54(7)8)92(129)115-79(43-63-47-103-71-33-25-21-29-67(63)71)94(131)111-75(39-53(5)6)91(128)114-78(42-62-46-102-70-32-24-20-28-66(62)70)93(130)110-74(38-52(3)4)90(127)113-77(88(125)100-35-36-120)41-61-45-101-69-31-23-19-27-65(61)69/h19-34,45-48,50-60,73-80,82-85,101-104,120H,35-44,49H2,1-18H3,(H,100,125)(H,105,133)(H,106,121)(H,107,122)(H,108,126)(H,109,123)(H,110,130)(H,111,131)(H,112,132)(H,113,127)(H,114,128)(H,115,129)(H,116,134)(H,117,124)(H,118,136)(H,119,135)/t59-,60-,73+,74+,75+,76+,77-,78-,79-,80-,82-,83-,84+,85-/m0/s1

smiles:
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO


name: Benzetimide
cas: 14051-33-3
dtxsid: DTXSID2046173
formula: C23H26N2O2
inchikey: LQQIVYSCPWCSSD-UHFFFAOYSA-N
norman_susdat_id: NS00100852
smiles: O=C1CCC(C2CCN(CC3=CC=CC=C3)CC2)(C(=O)N1)C1=CC=CC=C1
inchi:
InChI=1/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)


name: (5a,6a)-7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethylmorphinanium iodide
cas: 14054-17-2
formula: C18H22NO3
inchikey: AJQDRZKRPDONTA-SCLAZZCHSA-N
norman_susdat_id: NS00052216
pubchem_cid: 21124582
smiles: [I-].OC1=CC=C2C3=C1OC4C(O)C=CC5C(C2)[N+](C)(C)CCC345
inchi:
InChI=1/C18H21NO3.HI/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19;/h3-6,11-12,14,17,21H,7-9H2,1-2H3;1H


name: 2-[2-(piperidin-1-yl)ethoxy]ethyl 10H-pyrido[3,2-b][1,4]benzothiazine-10-carboxylate hydrochloride
cas: 14056-67-8
formula: C21H25N3O3S.xClH
inchikey: FEUBUXUFKHXRKO-UHFFFAOYSA-N
norman_susdat_id: NS00085405
smiles: Cl.O=C(OCCOCCN1CCCCC1)N2c3ccccc3Sc4cccnc24
inchi:
InChI=1/C21H25N3O3S.ClH/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24;/h2-3,6-10H,1,4-5,11-16H2;1H


name: Bismuth tri(perchlorate)
cas: 14059-45-1
formula: Bi.3ClHO4
inchikey: PBMWHYUNOQMYBV-UHFFFAOYSA-K
norman_susdat_id: NS00085479
smiles: [BiH3+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/Bi.3ClHO4.3H/c;3*2-1(3,4)5;;;/h;3*(H,2,3,4,5);;;/q+3;;;;;;/p-3/rBiH3.3ClHO4/c;3*2-1(3,4)5/h1H3;3*(H,2,3,4,5)/q+3;;;/p-3


name: Penicillin
cas: 1406-05-9
chemspiderid: 238029
formula: C16H20N2O3S1
inchikey: WAYJCOBMBRPWED-UHFFFAOYSA-N
norman_susdat_id: NS00040639
pubchem_cid: 52946032
smiles: CC1(C)SC2C(CN2C1C(O)=O)NC(=O)Cc1ccccc1
inchi:
InChI=1S/C16H20N2O3S/c1-16(2)13(15(20)21)18-9-11(14(18)22-16)17-12(19)8-10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3,(H,17,19)(H,20,21)


name: Penicillin, calcium salt
cas: 1406-07-1
formula: -
inchikey: MIFYHUACUWQUKT-UHFFFAOYSA-N
norman_susdat_id: NS00080862
smiles: CC1(C)SC2C(NC(=O)CCCC(N)C(=O)O)C(=O)N2C1C(=O)O
inchi:
InChI=1/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)


name: Tocopherols
cas: 1406-66-2
chemspiderid: 14266
formula: C28H48O2
inchikey: QUEDXNHFTDJVIY-UHFFFAOYSA-N
norman_susdat_id: NS00006800
pubchem_cid: 14986
smiles: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1
inchi:
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3


name: 3-(D-apio-ß-D-furanosyloxy)-1-(ß-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone
cas: 14062-59-0
dtxsid: DTXSID90930887
formula: C26H28O14
inchikey: JDATZHJVVZWTEM-UHFFFAOYSA-N
norman_susdat_id: NS00052989
pubchem_cid: 85674
smiles: O=C1C=2C=C(OC3OC(CO)C(O)C3O)C=C(OC4OC(CO)C(O)C(O)C4O)C2C(=O)C5=C(O)C=C(C=C15)C
inchi:
InChI=1/C26H28O14/c1-8-2-10-16(12(29)3-8)21(33)17-11(18(10)30)4-9(37-25-23(35)20(32)15(7-28)39-25)5-13(17)38-26-24(36)22(34)19(31)14(6-27)40-26/h2-5,14-15,19-20,22-29,31-32,34-36H,6-7H2,1H3


name: Glucofrangulin B
cas: 14063-59-0
chebiid: CHEBI:80740
chemspiderid: 46173833
formula: C26H28O14
inchikey: SOAOUDVXSAIAHD-XXLFKDOXSA-N
norman_susdat_id: NS00094497
pubchem_cid: 30791740
smiles:
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@]5(COC[C@@]5(CO)O)O)O


name: (2-carboxyphenyl)hydroxymercury
cas: 14066-61-6
formula: C7H6HgO3
inchikey: BTYDLKTTZCMIKB-UHFFFAOYSA-M
norman_susdat_id: NS00086221
smiles: O[Hg]c1ccccc1C(=O)O
inchi:
InChI=1/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-4H,(H,8,9);;1H2/q;+1;/p-1/rC7H6HgO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4,11H,(H,9,10)


name: Chloroprednisone 21-acetate
cas: 14066-79-6
formula: C23H27ClO6
inchikey: RACDDTQBAFEERP-PLTZVPCUSA-N
norman_susdat_id: NS00052217
pubchem_cid: 235970
smiles: O=C1C=CC2(C(=C1)C(Cl)CC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)C)C
inchi:
InChI=1/C23H27ClO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17,20,29H,5,7,9-11H2,1-3H3


cas: 1407097-19-1
inchikey: ZSKRYNCMQOBUCS-UHFFFAOYSA-M
norman_susdat_id: NS00078148
smiles: NC1=CC(=C(C=C1)S(=O)(=O)[O-])N=NC1=C(N(C(C(=C1C)CS(=O)(=O)[O-])=O)CC)O.[Na+].[H+]
name:
Sodium hydrogen 4-amino-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate (1:1:1)


name: Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-bromo-6-cyano-4-nitrophenyl)azo]phenyl]-
cas: 14071-35-3
chemspiderid: 75946
dtxsid: DTXSID7065702
formula: C19H19Br1N6O5
inchikey: TZGRVPGNUHVFOB-UHFFFAOYSA-N
norman_susdat_id: NS00024562
pubchem_cid: 84186
smiles: CC(=O)Nc1cc(ccc1N=Nc1c(Br)cc(cc1C#N)[N+](=O)[O-])N(CCO)CCO
inchi:
InChI=1S/C19H19BrN6O5/c1-12(29)22-18-10-14(25(4-6-27)5-7-28)2-3-17(18)23-24-19-13(11-21)8-15(26(30)31)9-16(19)20/h2-3,8-10,27-28H,4-7H2,1H3,(H,22,29)/b24-23+


cas: 1407491-30-8
dtxsid: DTXSID70897606
norman_susdat_id: NS00111537
name:
Siloxanes and Silicones, 3-aminopropyl Me, di-Me, Me 3-mercaptopropyl, polymers with stearyl acrylate, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate, rel-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl methacrylate and vinyl chloride


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-N-(2-hydroxypropyl)octanamide
cas: 1407514-44-6
dtxsid: DTXSID90896090
formula: C11H8F15NO2
inchikey: DCJKBXFEWSPSGU-UHFFFAOYSA-N
norman_susdat_id: NS00112138
smiles: CC(O)CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H8F15NO2/c1-3(28)2-27-4(29)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h3,28H,2H2,1H3,(H,27,29)


name: 5,5'-dimethoxy-3,3'-di-tert.-butyl-1,1'-biphenyl-2,2'-diol
cas: 14078-41-2
chemspiderid: 106516
formula: C22H30O4
inchikey: CBYWHFTZNVZQHV-UHFFFAOYSA-N
norman_susdat_id: NS00006914
pubchem_cid: 119234
smiles: COc1cc(c(O)c(c1)C(C)(C)C)-c1cc(OC)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C22H30O4/c1-21(2,3)17-11-13(25-7)9-15(19(17)23)16-10-14(26-8)12-18(20(16)24)22(4,5)6/h9-12,23-24H,1-8H3


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Henicosafluorotridecanenitrile
cas: 140834-59-9
dtxsid: DTXSID00895514
formula: C13H4F21N
inchikey: FZCXKUMBLKTHGQ-UHFFFAOYSA-N
norman_susdat_id: NS00108980
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC#N
inchi:
InChI=1S/C13H4F21N/c14-4(15,2-1-3-35)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H2


name: Gaxilose
cas: 14087-31-1
dtxsid: DTXSID60161484
formula: C11H20O10
inchikey: BYZQBCIYLALLPA-NOPGXMAYSA-N
norman_susdat_id: NS00072018
pubchem_cid: 3082054
smiles: O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C11H20O10/c12-1-4(15)7(16)5(2-13)20-11-10(19)9(18)8(17)6(3-14)21-11/h1,4-11,13-19H,2-3H2/t4-,5+,6+,7+,8-,9-,10+,11+/m0/s1


name: 1,1-diphenyl-1-methoxy-3-benzylaminopropane
cas: 14089-87-3
chemspiderid: 163217
formula: C23H25N1O1
inchikey: DAHOFCRMBFZKDA-UHFFFAOYSA-N
norman_susdat_id: NS00008642
pubchem_cid: 187770
smiles: COC(CCNCc1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H25NO/c1-25-23(21-13-7-3-8-14-21,22-15-9-4-10-16-22)17-18-24-19-20-11-5-2-6-12-20/h2-16,24H,17-19H2,1H3


name: Bis{2-[2-(3-heptanyl)-1,3-oxazolidin-3-yl]ethyl} 1,6-hexanediylbiscarbamate
cas: 140921-24-0
chemspiderid: 57434510
dtxsid: DTXSID10869908
formula: C32H62N4O6
inchikey: GLHIIWCTJKBGGM-UHFFFAOYSA-N
norman_susdat_id: NS00009102
pubchem_cid: 14993651
smiles: CCCCC(CC)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(CC)CCCC
inchi:
InChI=1S/C32H62N4O6/c1-5-9-15-27(7-3)29-35(19-23-39-29)21-25-41-31(37)33-17-13-11-12-14-18-34-32(38)42-26-22-36-20-24-40-30(36)28(8-4)16-10-6-2/h27-30H,5-26H2,1-4H3,(H,33,37)(H,34,38)


name: Iprovalicarb
cas: 140923-17-7
chebiid: CHEBI:82023
chemspiderid: 155431
dtxsid: DTXSID0047662
formula: C18H28N2O3
inchikey: NWUWYYSKZYIQAE-WMCAAGNKSA-N
norman_susdat_id: NS00000435
pubchem_cid: 178565
smiles: CC1=CC=C(C=C1)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)C
eea_notation: CAS_140923-17-7
inchi:
InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1


cas: 140924-50-1
chemspiderid: 9139024
dtxsid: DTXSID90679582
formula: C48H54N6O4
inchikey: YUCBLVFHJWOYDN-PPIALRKJSA-N
norman_susdat_id: NS00024572
pubchem_cid: 51003674
name:
(3alpha)-6'-Methoxy-9-[(4-{[(4beta)-6'-methoxy-10,11-dihydrocinchonan-9-yl]oxy}phthalazin-1-yl)oxy]-10,11-dihydrocinchonan

inchi:
InChI=1S/C48H54N6O4/c1-5-29-27-53-21-17-31(29)23-43(53)45(35-15-19-49-41-13-11-33(55-3)25-39(35)41)57-47-37-9-7-8-10-38(37)48(52-51-47)58-46(44-24-32-18-22-54(44)28-30(32)6-2)36-16-20-50-42-14-12-34(56-4)26-40(36)42/h7-16,19-20,25-26,29-32,43-46H,5-6,17-18,21-24,27-28H2,1-4H3/t29-,30+,31-,32+,43-,44-,45+,46+/m0/s1

smiles:
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC1=NN=C(O[C@@H]([C@H]2C[C@H]3CCN2C[C@H]3CC)C2=C3C=C(OC)C=CC3=NC=C2)C2=CC=CC=C12)C1=C2C=C(OC)C=CC2=NC=C1


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium
cas: 14097-03-1
formula: C19H25ClN5O2
inchikey: TZXATTMVGZDPHM-UHFFFAOYSA-N
norman_susdat_id: NS00084785
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O
inchi:
InChI=1/C19H25ClN5O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20/h6-11,14H,5,12-13H2,1-4H3/q+1


name: 2,3-dihydroxypropyl 12-hydroxy-9-octadecenoate
cas: 141-08-2
dtxsid: DTXSID90274071
formula: C21H40O5
inchikey: HDIFHQMREAYYJW-UHFFFAOYSA-N
norman_susdat_id: NS00042060
pubchem_cid: 101627
smiles: O=C(OCC(O)CO)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3


name: Bis[2-(2-butoxyethoxy)ethyl] adipate
cas: 141-17-3
chemspiderid: 8504
dtxsid: DTXSID3027085
formula: C22H42O8
inchikey: SCABKEBYDRTODC-UHFFFAOYSA-N
norman_susdat_id: NS00003080
pubchem_cid: 8836
smiles: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3


name: Bis(2-butoxyethyl) decanedioate
cas: 141-19-5
chemspiderid: 60660
dtxsid: DTXSID6044802
formula: C22H42O6
inchikey: KZBSIGKPGIZQJQ-UHFFFAOYSA-N
norman_susdat_id: NS00024579
pubchem_cid: 67329
smiles: CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC
inchi:
InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3


name: Octadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-
cas: 141-21-9
chemspiderid: 8506
dtxsid: DTXSID9059703
formula: C22H46N2O2
inchikey: KWTFEBYZFYIHFO-UHFFFAOYSA-N
norman_susdat_id: NS00014109
pubchem_cid: 8838
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO
inchi:
InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h23,25H,2-21H2,1H3,(H,24,26)


name: Methyl ricinoleate
cas: 141-24-2
chemspiderid: 4516842
dtxsid: DTXSID2029169
formula: C19H36O3
inchikey: XKGDWZQXVZSXAO-RAXLEYEMSA-N
norman_susdat_id: NS00013859
pubchem_cid: 5364698
smiles: CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)OC
inchi:
InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1


name: O-butyl hydrogen dithiocarbonate , sodium salt
cas: 141-33-3
formula: C5H10OS2.Na
inchikey: AAJRIJBGDLLRAE-UHFFFAOYSA-M
norman_susdat_id: NS00079621
smiles: CCCCOC(=S)S[Na]
inchi:
InChI=1/C5H10OS2.Na/c1-2-3-4-6-5(7)8;/h2-4H2,1H3,(H,7,8);/q;+1/p-1/rC5H9NaOS2/c1-2-3-4-7-5(8)9-6/h2-4H2,1H3


name: 9,10-Epoxyoctadecanoic acid, 2-ethylhexyl ester
cas: 141-38-8
chemspiderid: NA
dtxsid: DTXSID9025247
formula: C26H50O3
inchikey: PUYRISKXBBQECH-UHFFFAOYNA-N
norman_susdat_id: NS00019703
pubchem_cid: NA
smiles: CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3/t23-,24+,25-/m0/s1


name: Sodium bis(2-ethylhexyl) phosphate
cas: 141-65-1
formula: C16H35O4P.Na
inchikey: AOBMIXQSBXYCFW-UHFFFAOYSA-M
norman_susdat_id: NS00079210
smiles: [Na+].CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC
inchi:
InChI=1/C16H35O4P.Na/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1


name: Hexetidine
cas: 141-94-6
chebiid: CHEBI:94339
chemspiderid: 3481
dtxsid: DTXSID1045297
formula: C21H45N3
inchikey: DTOUUUZOYKYHEP-UHFFFAOYSA-N
norman_susdat_id: NS00010038
pubchem_cid: 3607
smiles: CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1
inchi:
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3


name: 3-(D-apio-ß-D-furanosyloxy)-1,8-dihydroxy-6-methylanthraquinone
cas: 14101-04-3
dtxsid: DTXSID80930972
formula: C20H18O9
inchikey: AMLHPEKHAAPTGM-UHFFFAOYSA-N
norman_susdat_id: NS00051430
pubchem_cid: 85683
smiles: O=C1C2=CC(OC3OC(CO)C(O)C3O)=CC(O)=C2C(=O)C4=C(O)C=C(C=C14)C
inchi:
InChI=1/C20H18O9/c1-7-2-9-14(11(22)3-7)18(26)15-10(16(9)24)4-8(5-12(15)23)28-20-19(27)17(25)13(6-21)29-20/h2-5,13,17,19-23,25,27H,6H2,1H3


name: Dat 582
cas: 141034-42-6
chemspiderid: 116865
dtxsid: DTXSID50161534
formula: C22H29Cl2N5O
inchikey: BDHAPQXDDJQQBI-JPKZNVRTSA-N
norman_susdat_id: NS00000974
pubchem_cid: 132326
smiles: Cl.Cl.CN1CCN(CC2=CC=CC(C)=C2)C[C@@H](C1)NC(=O)C1=NNC2=CC=CC=C12
inchi:
InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H/t18-;;/m1../s1


name: Alfadolone
cas: 14107-37-0
formula: C21H32O4
inchikey: XWYBFXIUISNTQG-UHFFFAOYSA-N
norman_susdat_id: NS00084516
smiles: CC12CCC(O)CC1CCC3C4CCC(C(=O)CO)C4(C)CC(=O)C23
inchi:
InChI=1/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3


name: Perfluoropentadecanoic acid (PFPeDA)
cas: 141074-63-7
chemspiderid: 10722567
dtxsid: DTXSID30893341
formula: C15H1F29O2
inchikey: BJNCSIWIMCWIMS-UHFFFAOYSA-N
norman_susdat_id: NS00011261
pubchem_cid: 12731198
inchi:
InChI=1S/C15HF29O2/c16-2(17,1(45)46)3(18,19)4(20,21)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)44/h(H,45,46)

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


name: 2,6-Dicyclooctylphenol
cas: 14109-13-8
chemspiderid: 75961
dtxsid: DTXSID70161571
formula: C22H34O1
inchikey: IAFDAEJVICEKQL-UHFFFAOYSA-N
norman_susdat_id: NS00024577
pubchem_cid: 84202
smiles: Oc1c(cccc1C1CCCCCCC1)C1CCCCCCC1
inchi:
InChI=1S/C22H34O/c23-22-20(18-12-7-3-1-4-8-13-18)16-11-17-21(22)19-14-9-5-2-6-10-15-19/h11,16-19,23H,1-10,12-15H2


name: 7(S)-hydroxy-16(R)-methyl-10-phenyl-24-oxa[14]cytochalasa-6(12),13(E),21(E)-triene-1,20,23-trione
cas: 14110-64-6
formula: C29H35NO5
inchikey: ZMAODHOXRBLOQO-UHFFFAOYSA-N
norman_susdat_id: NS00052243
pubchem_cid: 2724384
smiles: O=C1OC23C(=O)NC(CC=4C=CC=CC4)C3C(C(=C)C(O)C2C=CCC(C)CCCC(=O)C=C1)C
inchi:
InChI=1/C29H35NO5/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/h4-6,8,11-12,14-16,18-19,23-24,26-27,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)


cas: 14110-71-5
formula: C28H39NO5
inchikey: ZPWQQPUJVCZMSY-UHFFFAOYSA-N
norman_susdat_id: NS00051888
pubchem_cid: 85684
smiles: O=C1OC(CC1)CCCC(C)CC=CC2C(O)CC(C)C3C(NC(=O)C23O)CC=4C=CC=CC4
name:
Octahydro-6,7a-dihydroxy-4-methyl-7-[4-methyl-7-(tetrahydro-5-oxo-2-furyl)-1-heptenyl]-3-(phenylmethyl)-1H-isoindol-1-one

inchi:
InChI=1/C28H39NO5/c1-18(8-6-12-21-14-15-25(31)34-21)9-7-13-22-24(30)16-19(2)26-23(29-27(32)28(22,26)33)17-20-10-4-3-5-11-20/h3-5,7,10-11,13,18-19,21-24,26,30,33H,6,8-9,12,14-17H2,1-2H3,(H,29,32)


name: Isoxaflutole
cas: 141112-29-0
chebiid: CHEBI:141213
chemspiderid: 75869
dtxsid: DTXSID5034723
formula: C15H12F3N1O4S1
inchikey: OYIKARCXOQLFHF-UHFFFAOYSA-N
norman_susdat_id: NS00000652
pubchem_cid: 84098
smiles: O=C(c1c(onc1)C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F
eea_notation: CAS_141112-29-0
inchi:
InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3


name: Celgosivir
cas: 141117-12-6
dtxsid: DTXSID70153153
formula: C12H21NO5
inchikey: HTJGLYIJVSDQAE-VWNXEWBOSA-N
norman_susdat_id: NS00069214
pubchem_cid: 60734
smiles: CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1


name: Cyclopropyltriphenylphosphonium bromide
cas: 14114-05-7
dtxsid: DTXSID40931001
formula: C21H20P
inchikey: XMPWFKHMCNRJCL-UHFFFAOYSA-M
norman_susdat_id: NS00051831
pubchem_cid: 2723931
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C4CC4
inchi:
InChI=1/C21H20P.BrH/c1-4-10-18(11-5-1)22(21-16-17-21,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1


name: Dioctadecyl phthalate
cas: 14117-96-5
chemspiderid: 75965
dtxsid: DTXSID2065707
formula: C44H78O4
inchikey: MQKMBXOZOISLIV-UHFFFAOYSA-N
norman_susdat_id: NS00019872
pubchem_cid: 84206
smiles: CCCCCCCCCCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C44H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-47-43(45)41-37-33-34-38-42(41)44(46)48-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3


name: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluoro-2-methyldodecan-2-ol
cas: 141183-94-0
dtxsid: DTXSID70382067
formula: C13H11F17O
inchikey: VDLOMMAXELCHDN-UHFFFAOYSA-N
norman_susdat_id: NS00111231
smiles: CC(C)(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/C13H11F17O/c1-5(2,31)3-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h31H,3-4H2,1-2H3


name: Filaminast
cas: 141184-34-1
dtxsid: DTXSID80869910
formula: C15H20N2O4
inchikey: STTRYQAGHGJXJJ-LICLKQGHSA-N
norman_susdat_id: NS00068046
pubchem_cid: 9578243
smiles: COc1ccc(/C(C)=N/OC(N)=O)cc1OC1CCCC1
inchi:
InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+


name: Darglitazone
cas: 141200-24-0
dtxsid: DTXSID3057644
formula: C23H20N2O4S
inchikey: QQKNSPHAFATFNQ-FQEVSTJZSA-N
norman_susdat_id: NS00068500
smiles: Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1
inchi:
InChI=1S/C23H20N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,20H,11-13H2,1H3,(H,25,27,28)/t20-/m0/s1


name: 2-(3-methoxypropyl)-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
cas: 14121-47-2
dtxsid: DTXSID60931028
formula: C22H17NO3S
inchikey: GIEARNNTYXJWQQ-UHFFFAOYSA-N
norman_susdat_id: NS00052632
pubchem_cid: 84209
smiles: O=C1C2=CC=C3SC=4C=CC=CC4C=5C=CC(C(=O)N1CCCOC)=C2C35
inchi:
InChI=1/C22H17NO3S/c1-26-12-4-11-23-21(24)15-8-7-14-13-5-2-3-6-17(13)27-18-10-9-16(22(23)25)19(15)20(14)18/h2-3,5-10H,4,11-12H2,1H3


name: 6-(2,4-Dichlorophenyl)-erythro-2,4-dihydroxyhexylphosphonic acid
cas: 141263-54-9
dtxsid: DTXSID10161616
formula: C12H17Cl2O5P
inchikey: GGAVPGOIUVCRHG-GHMZBOCLSA-N
norman_susdat_id: NS00075354
smiles: O[C@H](CCC1=C(Cl)C=C(Cl)C=C1)C[C@@H](O)CP(O)(O)=O
inchi:
InChI=1S/C12H17Cl2O5P/c13-9-3-1-8(12(14)5-9)2-4-10(15)6-11(16)7-20(17,18)19/h1,3,5,10-11,15-16H,2,4,6-7H2,(H2,17,18,19)/t10-,11-/m1/s1


name: 2,6,7-Trideoxy-7-C-(2,4-dichlorophenyl)heptonic acid
cas: 141267-47-2
dtxsid: DTXSID70161617
formula: C13H15Cl2NaO5
inchikey: WJTBMLZWEDIMFJ-CHZGQIEOSA-M
norman_susdat_id: NS00075356
smiles: [Na+].O[C@H](CCC1=C(Cl)C=C(Cl)C=C1)[C@H](O)[C@@H](O)CC([O-])=O
inchi:
InChI=1S/C13H16Cl2O5.Na/c14-8-3-1-7(9(15)5-8)2-4-10(16)13(20)11(17)6-12(18)19;/h1,3,5,10-11,13,16-17,20H,2,4,6H2,(H,18,19);/q;+1/p-1/t10-,11+,13+;/m1./s1


name: 2-Anthracenesulfonic acid, 1,4-diamino-9,10-dihydro-9,10-dioxo-, phenyl ester
cas: 14130-41-7
chemspiderid: 75977
dtxsid: DTXSID1065714
formula: C20H14N2O5S1
inchikey: DQTIHYAULLHSID-UHFFFAOYSA-N
norman_susdat_id: NS00024582
pubchem_cid: 84219
smiles: Nc1cc(c(N)c2c1C(=O)c1c(cccc1)C2=O)S(=O)(=O)Oc1ccccc1
inchi:
InChI=1S/C20H14N2O5S/c21-14-10-15(28(25,26)27-11-6-2-1-3-7-11)18(22)17-16(14)19(23)12-8-4-5-9-13(12)20(17)24/h1-10H,21-22H2


name: 5-anilino-4-phenyl-4H-1,2,4-triazole-3-thiol
cas: 14132-84-4
dtxsid: DTXSID6065715
formula: C14H12N4S
inchikey: ADVANMXLTWBUFC-UHFFFAOYSA-N
norman_susdat_id: NS00051907
pubchem_cid: NA
smiles: SC1=NN=C(NC=2C=CC=CC2)N1C=3C=CC=CC3
inchi:
InChI=1/C14H12N4S/c19-14-17-16-13(15-11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H,(H,15,16)(H,17,19)


name: (R*,R*)-9-acetoxy-10-hydroxyoctadecanoic acid
cas: 14133-73-4
formula: C20H38O5
inchikey: PEHFQVGCCUZNMA-UHFFFAOYSA-N
norman_susdat_id: NS00051832
pubchem_cid: 85685
smiles: O=C(O)CCCCCCCC(OC(=O)C)C(O)CCCCCCCC
inchi:
InChI=1/C20H38O5/c1-3-4-5-6-8-11-14-18(22)19(25-17(2)21)15-12-9-7-10-13-16-20(23)24/h18-19,22H,3-16H2,1-2H3,(H,23,24)


name: 3-methyl-2-[3-(3-methyl-3H-benzoxazol-2-ylidene)prop-1-enyl]benzoxazolium iodide
cas: 14134-79-3
dtxsid: DTXSID90931076
formula: C19H17N2O2
inchikey: PXGXZGVGEDLSMW-UHFFFAOYSA-M
norman_susdat_id: NS00051908
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3C)C
inchi:
InChI=1/C19H17N2O2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1


name: Gambieric acid B
cas: 141363-65-7
dtxsid: DTXSID20880109
formula: C60H94O16
inchikey: PLNXKBYHTXJJIY-ZAXYGDKESA-N
norman_susdat_id: NS00075596
inchi:
InChI=1/C60H94O16/c1-31(19-32(2)29-61)20-42-34(4)22-48-57(8,75-42)28-45-54(72-48)55(65)60(11)50(70-45)27-44-53(76-60)33(3)13-12-14-40-39(68-44)15-16-46-58(9,73-40)30-59(10)49(71-46)26-43-41(74-59)17-18-56(7,66)47(69-43)25-37(62)24-38-21-35(5)52(67-38)36(6)23-51(63)64/h12-13,19,32-33,35-50,52-55,61-62,65-66H,4,14-18,20-30H2,1-3,5-11H3,(H,63,64)/b13-12-,31-19+/t32-,33+,35+,36+,37-,38-,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+,50+,52-,53+,54-,55+,56+,57+,58+,59-,60+/s2

smiles:
[H][C@]1(O[C@@H](C[C@@H](O)C[C@@H]2O[C@]3([H])C[C@]4([H])O[C@]5([H])CC[C@]6([H])O[C@]7([H])C[C@]8([H])O[C@]9([H])C[C@]%10(C)O[C@H](CC(C)=C[C@@H](C)CO)C(=C)C[C@@]%10([H])O[C@@]9([H])[C@H](O)[C@@]8(C)O[C@@]7([H])[C@@H](C)C=C/C[C@@]6([H])O[C@@]5(C)C[C@@]4(C)O[C@@]3([H])CC[C@]2(C)O)C[C@@H]1C)[C@@H](C)CC(O)=O


name: Tarazepide
cas: 141374-81-4
dtxsid: DTXSID00869912
formula: C28H24N4O2
inchikey: CZPILLBHPRAPCB-AREMUKBSSA-N
norman_susdat_id: NS00068804
pubchem_cid: 10343641
smiles: CN1C(=O)[C@@H](NC(=O)c2cc3cccc4c3n2CCC4)N=C(c2ccccc2)c2ccccc21
inchi:
InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1


name: Besifloxacin
cas: 141388-76-3
chebiid: CHEBI:135622
dtxsid: DTXSID00161706
formula: C19H21ClFN3O3
inchikey: QFFGVLORLPOAEC-SNVBAGLBSA-N
norman_susdat_id: NS00069194
pubchem_cid: 10178705
smiles: N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
inchi:
InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1


name: Argatroban monohydrate
cas: 141396-28-3
dtxsid: DTXSID5057888
formula: C23H38N6O6S
inchikey: AIEZTKLTLCMZIA-VJCHTHLQSA-N
norman_susdat_id: NS00076345
smiles: O.C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCNC(N)=N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2
inchi:
InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15-,17+,18-;/m1./s1


name: Intermedine
cas: 1414-01-3
chebiid: CHEBI:5941
chemspiderid: 102803
formula: C15H25NO5
inchikey: SFVVQRJOGUKCEG-OPQSFPLASA-N
norman_susdat_id: NS00067002
pubchem_cid: 114843
smiles: C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O
inchi:
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13-,15+/m1/s1


name: Nisin
cas: 1414-45-5
chemspiderid: 17286476
dtxsid: DTXSID20893678
formula: C143H230N42O37S7
inchikey: NVNLLIYOARQCIX-GSJOZIGCSA-N
norman_susdat_id: NS00013887
pubchem_cid: 16130280
inchi:
InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)/b82-27-

smiles:
CCC(C)C(N)C(=O)NC(=CC)/C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC1=O)C(C)CC)C(=O)NC2C(C)SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(C)SCC(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC4=O)C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(C)SCC6NC(=O)C(NC(=O)C(C)NC5=O)C(C)SCC(NC(=O)C(Cc7[nH]cnc7)NC6=O)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(Cc8[nH]cnc8)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(O)=O


name: Abt-751
cas: 141430-65-1
chebiid: CHEBI:95043
dtxsid: DTXSID60869913
formula: C18H17N3O4S
inchikey: URCVCIZFVQDVPM-UHFFFAOYSA-N
norman_susdat_id: NS00068344
pubchem_cid: 3035714
smiles: COc1ccc(S(=O)(=O)Nc2cccnc2Nc2ccc(O)cc2)cc1
inchi:
InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)


name: C14, 4 EO Carboxymethylated acid
cas: 141454-85-5
chemspiderid: 28685497
dtxsid: DTXSID30770300
formula: C22H44O6
inchikey: IWTTWPTXRWUSBK-UHFFFAOYSA-N
norman_susdat_id: NS00095102
pubchem_cid: 71343749
smiles: O=C(O)COCCOCCOCCOCCCCCCCCCCCCCC
inchi:
InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-15-16-26-17-18-27-19-20-28-21-22(23)24/h2-21H2,1H3,(H,23,24)


name: 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanoyl)cyclohexan-1-one
cas: 141478-89-9
dtxsid: DTXSID40456002
formula: C13H9F13O2
inchikey: ZSCSEYRTJFTOQR-UHFFFAOYSA-N
norman_susdat_id: NS00110217
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C1CCCCC1=O
inchi:
InChI=1S/C13H9F13O2/c14-8(15,7(28)5-3-1-2-4-6(5)27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h5H,1-4H2


name: Trimethidinium methyl sulfate
cas: 14149-43-0
chemspiderid: 24667
dtxsid: DTXSID8046115
formula: C17H36N2
inchikey: ZOSQTCOGKFRDET-UHFFFAOYNA-L
norman_susdat_id: NS00024586
pubchem_cid: NA
smiles: COS(=O)(=O)[O-].COS(=O)(=O)[O-].CC1(C)C2CCC1(C)C[N+](C)(CCC[N+](C)(C)C)C2
inchi:
InChI=1S/C17H36N2/c1-16(2)15-9-10-17(16,3)14-19(7,13-15)12-8-11-18(4,5)6/h15H,8-14H2,1-7H3/q+2/t15-,17+,19+/m1/s1


name: aloin
cas: 1415-73-2
chebiid: CHEBI:74131
chemspiderid: 14269
formula: C21H22O9
inchikey: AFHJQYHRLPMKHU-WEZNYRQKSA-N
norman_susdat_id: NS00002298
pubchem_cid: 14989
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
inchi:
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1


name: Levosimendan
cas: 141505-33-1
chemspiderid: 2298414
dtxsid: DTXSID9046445
formula: C14H12N6O1
inchikey: WHXMKTBCFHIYNQ-UHFFFAOYSA-N
norman_susdat_id: NS00040706
pubchem_cid: 3033825
smiles: CC1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
inchi:
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)


name: Trifloxystrobin
cas: 141517-21-7
chebiid: CHEBI:81833
chemspiderid: 9839700
dtxsid: DTXSID4032580
formula: C20H19F3N2O4
inchikey: ONCZDRURRATYFI-TVJDWZFNSA-N
norman_susdat_id: NS00010878
pubchem_cid: 11664966
smiles: CON=C(C(=O)OC)C1=CC=CC=C1CON=C(/C)C1=CC(=CC=C1)C(F)(F)F
eea_notation: CAS_141517-21-7
inchi:
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+


name: Prostaglandin A1
cas: 14152-28-4
chebiid: CHEBI:15545
chemspiderid: 4782
formula: C20H32O4
inchikey: BGKHCLZFGPIKKU-LDDQNKHRSA-N
norman_susdat_id: NS00015160
pubchem_cid: 5281912
smiles: CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)O)O
inchi:
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)/b14-12+/t16-,17-,18+/m0/s1


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-phenylundecane-1,3-dione
cas: 141522-69-2
dtxsid: DTXSID10382162
formula: C17H7F17O2
inchikey: BMPCOBJGKAQEOM-UHFFFAOYSA-N
norman_susdat_id: NS00109157
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)CC(=O)C1=CC=CC=C1
inchi:
InChI=1S/C17H7F17O2/c18-10(19,9(36)6-8(35)7-4-2-1-3-5-7)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H,6H2


name: Chloro[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]aluminium
cas: 14154-42-8
formula: C32H16AlClN8
inchikey: VZSMUWVEWLVVRM-UHFFFAOYSA-M
norman_susdat_id: NS00093449
smiles: Cl[Al]1N2C3=NC4=NC(=Nc5cc(C=CC=C)c(N=C6N=C(N=C2c7ccccc37)c8ccccc68)n15)c9ccccc49
inchi:
InChI=1/C32H18N8.Al.ClH/c1-2-3-10-18-17-25-33-26(18)35-28-21-13-6-7-14-22(21)30(37-28)39-32-24-16-9-8-15-23(24)31(40-32)38-29-20-12-5-4-11-19(20)27(34-25)36-29;;/h2-17H,1H2;;1H/q-2;+3;/p-1/rC32H18AlClN8/c1-2-3-10-18-17-25-35-26-19-11-4-5-12-20(19)28(36-26)39-31-23-15-8-9-16-24(23)32-40-29-22-14-7-6-13-21(22)27(37-29)38-30(18)41(25)33(34)42(31)32/h2-17H,1H2


name: GSK-256066
cas: 1415560-64-3
dtxsid: DTXSID30230090
formula: C27H26N4O5S
inchikey: JFHROPTYMMSOLG-UHFFFAOYSA-N
norman_susdat_id: NS00070340
pubchem_cid: 9827968
smiles: COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)C)c4)cc23)c1
inchi:
InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)


name: Xalkori | Crizotinib
cas: 1415560-69-8
chebiid: CHEBI:64310
dtxsid: DTXSID701009329
formula: C21H22Cl2FN5O
inchikey: KTEIFNKAUNYNJU-GFCCVEGCSA-N
norman_susdat_id: NS00072165
pubchem_cid: 11626560
smiles: C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
inchi:
InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1


name: 2-{4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethan-1-amine--hydrogen chloride (1/1)
cas: 14158-65-7
dtxsid: DTXSID40747361
formula: C26H29Cl2NO
inchikey: KKBZGZWPJGOGJF-BTKVJIOYSA-N
norman_susdat_id: NS00076314
smiles: Cl.CCN(CC)CCOC1=CC=C(C=C1)C(=C(Cl)C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C26H28ClNO.ClH/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;/h5-18H,3-4,19-20H2,1-2H3;1H/b26-25+;


name: JW 618
cas: 1416133-88-4
chemspiderid: 29341645
formula: C17H14F6N2O2
inchikey: RBZKWMMBPOHSDF-UHFFFAOYSA-N
norman_susdat_id: NS00017345
pubchem_cid: 71656525
smiles: CN(CC1=CC=CC(=C1)C2=CC=NC=C2)C(=O)OC(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C17H14F6N2O2/c1-25(15(26)27-14(16(18,19)20)17(21,22)23)10-11-3-2-4-13(9-11)12-5-7-24-8-6-12/h2-9,14H,10H2,1H3


name: JW 642
cas: 1416133-89-5
chemspiderid: 29341643
formula: C21H20F6N2O3
inchikey: AVSCNEOUWSVZEY-UHFFFAOYSA-N
norman_susdat_id: NS00017344
pubchem_cid: 71656520
smiles: C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C21H20F6N2O3/c22-20(23,24)18(21(25,26)27)32-19(30)29-11-9-28(10-12-29)14-15-5-4-8-17(13-15)31-16-6-2-1-3-7-16/h1-8,13,18H,9-12,14H2


name: Dronedarone
cas: 141626-36-0
chebiid: CHEBI:50659
chemspiderid: 180996
dtxsid: DTXSID3048653
formula: C31H44N2O5S1
inchikey: ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
norman_susdat_id: NS00024592
pubchem_cid: 208898
smiles: CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c1c(CCCC)c(NS(=O)(=O)C)c2ccocc12
inchi:
InChI=1S/C31H44N2O5S/c1-5-8-12-27-29(28-23-37-22-17-26(28)30(27)32-39(4,35)36)31(34)24-13-15-25(16-14-24)38-21-11-20-33(18-9-6-2)19-10-7-3/h13-17,22-23,32H,5-12,18-21H2,1-4H3


name: N-(carboxycarbonyl)-D-Phenylalanine
cas: 141635-16-7
formula: C11H11NO5
inchikey: ULQWGBCNOHBNDB-MRVPVSSYSA-N
norman_susdat_id: NS00071790
smiles: O=C(O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
inchi:
InChI=1S/C11H11NO5/c13-9(11(16)17)12-8(10(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)(H,14,15)(H,16,17)/t8-/m1/s1


name: (2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
cas: 141645-16-1
chemspiderid: 9648064
dtxsid: DTXSID50467068
formula: C19H17N1O5
inchikey: ZJZKLBXEGZKOBW-UHFFFAOYSA-N
norman_susdat_id: NS00019590
pubchem_cid: 11473234
smiles: CCCCc1c(C(=O)c2ccc(O)cc2)c2ccc(cc2o1)[N+](=O)[O-]
inchi:
InChI=1S/C19H17NO5/c1-2-3-4-16-18(19(22)12-5-8-14(21)9-6-12)15-10-7-13(20(23)24)11-17(15)25-16/h5-11,21H,2-4H2,1H3


name: [3S-(3a,5a,8a)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl phenylacetate
cas: 14166-03-1
dtxsid: DTXSID50931153
formula: C23H32O2
inchikey: UTINEQJTEXCBGS-UHFFFAOYSA-N
norman_susdat_id: NS00051480
pubchem_cid: 85688
smiles: O=C(OC(C)(C)C1CC2=C(CCC2C)C(C)CC1)CC=3C=CC=CC3
inchi:
InChI=1/C23H32O2/c1-16-10-12-19(15-21-17(2)11-13-20(16)21)23(3,4)25-22(24)14-18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3


name: Salcomine
cas: 14167-18-1
chemspiderid: 21160236
dtxsid: DTXSID1065718
formula: C16H16N2O2
inchikey: NPAQSKHBTMUERN-UHFFFAOYSA-L
norman_susdat_id: NS00024593
pubchem_cid: 26517
smiles: [Co++].[O-]c1ccccc1C=NCCN=Cc1c([O-])cccc1
inchi:
InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2/b17-11+,18-12+


name: Tetratriacontane
cas: 14167-59-0
chebiid: CHEBI:87443
chemspiderid: 24702
dtxsid: DTXSID7058622
formula: C34H70
inchikey: GWVDBZWVFGFBCN-UHFFFAOYSA-N
norman_susdat_id: NS00010743
pubchem_cid: 26519
smiles: C(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H70/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/h3-34H2,1-2H3


name: Motuporin
cas: 141672-08-4
formula: C40H57N5O10
inchikey: GIRIHYQVGVTBIP-NJYUBDSESA-N
norman_susdat_id: NS00073074
pubchem_cid: 4369034
inchi:
InChI=1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10-/t24-,25-,26-,28-,29+,31-,33-,34+/m0/s1

smiles:
C/C=C1/C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C


name: N-Methylmorphine
cas: 14168-11-7
dtxsid: DTXSID10161797
formula: C18H22NO3
inchikey: UJSDOZFJXZOOGN-YKRRISCLSA-O
norman_susdat_id: NS00076169
smiles: C[N+]1(C)CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@H]1[C@@H]2C=C[C@@H]4O)=C35
inchi:
InChI=1S/C18H21NO3/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,11-12,14,17,21H,7-9H2,1-2H3/p+1/t11-,12-,14-,17-,18-/m0/s1


name: Sodium 3-aminonaphthalene-1,5-disulphonate
cas: 14170-43-5
formula: C10H9NO6S2.2Na
inchikey: UZUODNWWWUQRIR-UHFFFAOYSA-L
norman_susdat_id: NS00086002
smiles: [Na+].[Na+].Nc1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Cefcanel daloxate
cas: 141702-36-5
chemspiderid: 156406
dtxsid: DTXSID10242838
formula: C27H27N5O9S3
inchikey: AMMYEZPDRKXESR-XHSUIHOPSA-N
norman_susdat_id: NS00011598
pubchem_cid: 179697
smiles: Cc1c(oc(=O)o1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](c4ccccc4)OC(=O)[C@H](C)N)CSc5nnc(s5)C
inchi:
InChI=1S/C27H27N5O9S3/c1-12(28)24(35)41-20(15-7-5-4-6-8-15)21(33)29-18-22(34)32-19(25(36)38-9-17-13(2)39-27(37)40-17)16(10-42-23(18)32)11-43-26-31-30-14(3)44-26/h4-8,12,18,20,23H,9-11,28H2,1-3H3,(H,29,33)/t12-,18+,20+,23+/m0/s1


name: N-dodecyl-ß-alanine, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 14171-00-7
formula: C15H31NO2.C6H15NO3
inchikey: CVZYWFZBNHBFDS-UHFFFAOYSA-N
norman_susdat_id: NS00086003
smiles: CCCCCCCCCCCCNCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C15H31NO2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;8-4-1-7(2-5-9)3-6-10/h16H,2-14H2,1H3,(H,17,18);8-10H,1-6H2


name: Trimipramine N-oxide
cas: 14171-70-1
chemspiderid: 27524395
dtxsid: DTXSID10891486
formula: C20H26N2O1
inchikey: UNOPAPJVNIQNJP-UHFFFAOYSA-N
norman_susdat_id: NS00000654
pubchem_cid: 14151360
smiles: CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)C[N+](C)(C)[O-]
inchi:
InChI=1S/C20H26N2O/c1-16(15-22(2,3)23)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16H,12-15H2,1-3H3


name: N-[(2S)-2-Amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
cas: 1417316-15-4
dtxsid: DTXSID50896112
formula: C9H13F9N2O2S
inchikey: LCROMADRNFAIKT-RXMQYKEDSA-N
norman_susdat_id: NS00110761
smiles: CC(C)[C@H](N)CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H13F9N2O2S/c1-4(2)5(19)3-20-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h4-5,20H,3,19H2,1-2H3/t5-/m1/s1


name: Exenatide
cas: 141732-76-5
chemspiderid: 17314184
dtxsid: DTXSID9040475
formula: C184H282N50O60S1
inchikey: HTQBXNHDCUEHJF-UHFFFAOYSA-N
norman_susdat_id: NS00040800
pubchem_cid: NA
inchi:
InChI=1S/C184H282N50O60S/c1-16-94(10)147(178(289)213-114(52-58-144(257)258)163(274)218-121(73-101-77-195-105-39-24-23-38-103(101)105)168(279)215-116(68-90(2)3)165(276)205-107(41-26-28-61-186)158(269)219-122(75-134(189)243)154(265)198-79-135(244)196-83-139(248)231-63-30-43-129(231)175(286)225-127(87-238)174(285)223-125(85-236)155(266)200-80-136(245)202-96(12)181(292)233-65-32-45-131(233)183(294)234-66-33-46-132(234)182(293)232-64-31-44-130(232)176(287)222-124(84-235)150(190)261)229-170(281)119(71-99-34-19-17-20-35-99)217-166(277)117(69-91(4)5)214-159(270)108(42-29-62-194-184(191)192)212-177(288)146(93(8)9)228-151(262)95(11)203-156(267)111(49-55-141(251)252)208-161(272)112(50-56-142(253)254)209-162(273)113(51-57-143(255)256)210-164(275)115(59-67-295-15)211-160(271)110(47-53-133(188)242)207-157(268)106(40-25-27-60-185)206-172(283)126(86-237)224-167(278)118(70-92(6)7)216-169(280)123(76-145(259)260)220-173(284)128(88-239)226-180(291)149(98(14)241)230-171(282)120(72-100-36-21-18-22-37-100)221-179(290)148(97(13)240)227-138(247)82-199-153(264)109(48-54-140(249)250)204-137(246)81-197-152(263)104(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104,106-132,146-149,195,235-241H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,242)(H2,189,243)(H2,190,261)(H,193,201)(H,196,244)(H,197,263)(H,198,265)(H,199,264)(H,200,266)(H,202,245)(H,203,267)(H,204,246)(H,205,276)(H,206,283)(H,207,268)(H,208,272)(H,209,273)(H,210,275)(H,211,271)(H,212,288)(H,213,289)(H,214,270)(H,215,279)(H,216,280)(H,217,277)(H,218,274)(H,219,269)(H,220,284)(H,221,290)(H,222,287)(H,223,285)(H,224,278)(H,225,286)(H,226,291)(H,227,247)(H,228,262)(H,229,281)(H,230,282)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H,259,260)(H4,191,192,194)

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


name: Dibenzo-24-crown-8
cas: 14174-09-5
chemspiderid: 75995
dtxsid: DTXSID50161817
formula: C24H32O8
inchikey: UNTITLLXXOKDTB-UHFFFAOYSA-N
norman_susdat_id: NS00024598
pubchem_cid: 84238
smiles: C1COCCOc2c(OCCOCCOCCOc3c(OCCO1)cccc3)cccc2
inchi:
InChI=1S/C24H32O8/c1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22/h1-8H,9-20H2


name: Cetiedil
cas: 14176-10-4
chebiid: CHEBI:34619
formula: C20H31NO2S
inchikey: MMNICIJVQJJHHF-UHFFFAOYSA-N
norman_susdat_id: NS00052693
pubchem_cid: 66384
smiles: O=C(OCCN1CCCCCC1)C(C2=CSC=C2)C3CCCCC3
inchi:
InChI=1/C20H31NO2S/c22-20(23-14-13-21-11-6-1-2-7-12-21)19(18-10-15-24-16-18)17-8-4-3-5-9-17/h10,15-17,19H,1-9,11-14H2


name: 2-hydroxyhexacosanoic acid
cas: 14176-13-7
chebiid: CHEBI:76986
dtxsid: DTXSID60931189
formula: C26H52O3
inchikey: IFYDZTDBJZWEPK-UHFFFAOYSA-N
norman_susdat_id: NS00052694
pubchem_cid: 85692
smiles: O=C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)


name: 1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate
cas: 141773-73-1
chemspiderid: 11227548
dtxsid: DTXSID7051341
formula: C17H32O3
inchikey: LSTSBZKIQFOPHA-UHFFFAOYNA-N
norman_susdat_id: NS00019508
pubchem_cid: NA
smiles: CCC(=O)OCC(C)(C)OC(C)C1CCCC(C)(C)C1
inchi:
InChI=1S/C17H32O3/c1-7-15(18)19-12-17(5,6)20-13(2)14-9-8-10-16(3,4)11-14/h13-14H,7-12H2,1-6H3/t13-,14-/m0/s1


name: Sulfosulfuron
cas: 141776-32-1
chemspiderid: 77941
dtxsid: DTXSID4034940
formula: C16H18N6O7S2
inchikey: RBSXHDIPCIWOMG-UHFFFAOYSA-N
norman_susdat_id: NS00001795
pubchem_cid: 86426
smiles: CCS(=O)(=O)c1nc2ccccn2c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
eea_notation: CAS_141776-32-1
inchi:
InChI=1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)


cas: 141785-76-4
formula: C10H23NO2
norman_susdat_id: NS00101265
name:
Boric acid (H3BO3), compd. with .alpha.,.alpha.'-[(hexylimino)di-2,1-ethanediyl]bis[.omega.-hydroxypoly(oxy-1,2-ethanediyl)]


name: Metolachlor-NOA 413173
cas: 1418095-19-8
dtxsid: DTXSID901016160
formula: C14H19NO6S
inchikey: WOXWIWNBIJDJHI-JTQLQIEISA-N
norman_susdat_id: NS00067054
pubchem_cid: 71312478
smiles: CCC1=CC=CC(C)=C1N([C@@H](C)C(O)=O)C(=O)CS(O)(=O)=O
inchi:
InChI=1S/C14H19NO6S/c1-4-11-7-5-6-9(2)13(11)15(10(3)14(17)18)12(16)8-22(19,20)21/h5-7,10H,4,8H2,1-3H3,(H,17,18)(H,19,20,21)/t10-/m0/s1


name: allyl (2S,4S)-4-benzoylsulfanyl-2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
cas: 141818-73-7
chemspiderid: 8445506
formula: C18H22N2O4S1
inchikey: HOCDRPVUJNMBCM-UHFFFAOYSA-N
norman_susdat_id: NS00005427
pubchem_cid: 21733966
smiles: CN(C)C(=O)C1CC(CN1C(=O)OCC=C)SC(=O)c1ccccc1
inchi:
InChI=1S/C18H22N2O4S/c1-4-10-24-18(23)20-12-14(11-15(20)16(21)19(2)3)25-17(22)13-8-6-5-7-9-13/h4-9,14-15H,1,10-12H2,2-3H3


name: N,N-Dimethyl-4-(tridecafluorohexyl)aniline
cas: 141822-33-5
dtxsid: DTXSID00895933
formula: C14H10F13N
inchikey: NFDMREXGTSXTER-UHFFFAOYSA-N
norman_susdat_id: NS00109007
smiles: CN(C)c1ccc(cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H10F13N/c1-28(2)8-5-3-7(4-6-8)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3-6H,1-2H3


name: 2,2',4,4',6,6'-Hexanitro(1,1'-biphenyl)-3,3'-diol
cas: 14184-98-6
chemspiderid: 76001
dtxsid: DTXSID90161836
formula: C12H4N6O14
inchikey: ZGEXBICQPGHLKE-UHFFFAOYSA-N
norman_susdat_id: NS00024602
pubchem_cid: 84244
inchi:
InChI=1S/C12H4N6O14/c19-11-5(15(25)26)1-3(13(21)22)7(9(11)17(29)30)8-4(14(23)24)2-6(16(27)28)12(20)10(8)18(31)32/h1-2,19-20H

smiles:
Oc1c(cc(c(c2c(c(O)c(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: Ciclesonide
cas: 141845-82-1
formula: C32H44O7
inchikey: LUKZNWIVRBCLON-FOMURGDPSA-N
norman_susdat_id: NS00101123
smiles: CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6
inchi:
InChI=1S/C32H44O7/c1-18(2)28(36)37-17-25(35)32-26(38-29(39-32)19-8-6-5-7-9-19)15-23-22-11-10-20-14-21(33)12-13-30(20,3)27(22)24(34)16-31(23,32)4/h12-14,18-19,22-24,26-27,29,34H,5-11,15-17H2,1-4H3/t22-,23-,24-,26+,27+,29?,30-,31-,32+/m0/s1


name: 7,8-didehydro-6a-hydroxy-4,5a-epoxy-17-methyl-3-(2-morpholinoethoxy)morphinan bis(phosphate)
cas: 14186-20-0
formula: C23H30N2O4.2H3O4P
inchikey: QMYZWDGWXUFPMQ-GLIKYNQJSA-N
norman_susdat_id: NS00086004
smiles: OP(O)(=O)O.OP(O)(=O)O.O[C@H]2\C=C/[C@H]6[C@H]3Cc4ccc(OCCN1CCOCC1)c5O[C@@H]2[C@]6(CCN3C)c45
inchi:
InChI=1/C23H30N2O4.2H3O4P/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25;2*1-5(2,3)4/h2-5,16-18,22,26H,6-14H2,1H3;2*(H3,1,2,3,4)


name: 1-ethyl-2-[5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl]quinolinium iodide
cas: 14187-31-6
dtxsid: DTXSID10884732
formula: C27H27N2
inchikey: ZFYDGPJXMYCXNV-UHFFFAOYSA-M
norman_susdat_id: NS00051866
pubchem_cid: NA
smiles: [I-].C(=CC=C1C=CC=2C=CC=CC2N1CC)C=CC=3C=CC=4C=CC=CC4[N+]3CC
inchi:
InChI=1/C27H27N2.HI/c1-3-28-24(20-18-22-12-8-10-16-26(22)28)14-6-5-7-15-25-21-19-23-13-9-11-17-27(23)29(25)4-2;/h5-21H,3-4H2,1-2H3;1H/q+1;/p-1


name: Dibenzo-18-crown-6
cas: 14187-32-7
chebiid: CHEBI:358732
chemspiderid: 24722
dtxsid: DTXSID6022428
formula: C20H24O6
inchikey: YSSSPARMOAYJTE-UHFFFAOYSA-N
norman_susdat_id: NS00020264
pubchem_cid: 26541
smiles: C1COc2ccccc2OCCOCCOc2c(OCCO1)cccc2
inchi:
InChI=1S/C20H24O6/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/h1-8H,9-16H2


name: Testosterone 17-cyclohexanecarboxylate
cas: 14191-92-5
chemspiderid: 77287
dtxsid: DTXSID30161855
formula: C26H38O3
inchikey: VIMCBTIOPSZXFN-GAPAIOIVSA-N
norman_susdat_id: NS00024605
pubchem_cid: 71300374
smiles: CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)C1CCCCC1
inchi:
InChI=1S/C26H38O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h16-17,20-23H,3-15H2,1-2H3/t20-,21+,22-,23-,25+,26-/m0/s1


name: 3,5-Bis[(tetradecyloxy)carbonyl]benzene-1-sulfinic acid
cas: 141915-64-2
chemspiderid: NA
dtxsid: DTXSID30567878
formula: C36H62O6S1
inchikey: VYKYDOPQYQKXDS-UHFFFAOYSA-N
norman_susdat_id: NS00009084
pubchem_cid: 15076628
smiles: CCCCCCCCCCCCCCOC(=O)c1cc(cc(c1)S(O)=O)C(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H62O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-41-35(37)32-29-33(31-34(30-32)43(39)40)36(38)42-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-28H2,1-2H3,(H,39,40)


cas: 141948-79-0
formula: C27H32O4
inchikey: XKKDQOHDTASHCE-PAZAWXFKSA-N
norman_susdat_id: NS00071013
pubchem_cid: 6438744
smiles: CC1=C(/C=C/C(C)=C/C=C(C(/C)=CC(=O)O)c2cccc(C(=O)O)c2)C(C)(C)CCC1
name:
3-[1-carboxy-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-3-yl]benzoic acid

inchi:
InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-


name: Ginsenoside Rg3
cas: 14197-60-5
chebiid: CHEBI:67991
chemspiderid: 140443
formula: C42H72O13
inchikey: RWXIFXNRCLMQCD-JBVRGBGGSA-N
norman_susdat_id: NS00018302
pubchem_cid: 9918693
inchi:
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1

smiles:
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)O)C


cas: 141977-66-4
dtxsid: DTXSID40591422
formula: C15H3F29O5
inchikey: XWMIXYNBVNTPFV-UHFFFAOYSA-N
norman_susdat_id: NS00110226
name:
2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-Heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecan-1-ol

inchi:
InChI=1S/C15H3F29O5/c16-2(1-45,7(22,23)24)46-13(39,40)4(19,9(28,29)30)48-15(43,44)6(21,11(34,35)36)49-14(41,42)5(20,10(31,32)33)47-12(37,38)3(17,18)8(25,26)27/h45H,1H2

smiles:
OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: Bis(acetato-O)hydroxyaluminium
cas: 142-03-0
formula: C4H7AlO5
inchikey: HQQUTGFAWJNQIP-UHFFFAOYSA-K
norman_susdat_id: NS00079292
smiles: CC(=O)O[Al](O)OC(=O)C
inchi:
InChI=1/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/rC4H7AlO5/c1-3(6)9-5(8)10-4(2)7/h8H,1-2H3


name: 2-Sulfoethyl oleate sodium salt
cas: 142-15-4
chemspiderid: 5257161
dtxsid: DTXSID8041454
formula: C20H38O5S1
inchikey: DHNWFKDQGWAXQE-KTKRTIGZSA-N
norman_susdat_id: NS00014083
pubchem_cid: 6857838
smiles: [Na+].CCCCCCCCC=C/CCCCCCCC(=O)OCC[S]([O-])(=O)=O
inchi:
InChI=1S/C20H38O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)25-18-19-26(22,23)24;/h9-10H,2-8,11-19H2,1H3,(H,22,23,24);/q;+1/p-1/b10-9-;


name: Bis(2-ethylhexyl) maleate
cas: 142-16-5
chemspiderid: 4517207
dtxsid: DTXSID2027094
formula: C20H36O4
inchikey: ROPXFXOUUANXRR-YPKPFQOOSA-N
norman_susdat_id: NS00003256
pubchem_cid: 5365125
smiles: CCCCC(CC)COC(=O)C=C/C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-


name: Calcium dioleate
cas: 142-17-6
formula: C18H34O2.1/2Ca
inchikey: ZCZLQYAECBEUBH-CVBJKYQLSA-L
norman_susdat_id: NS00079285
smiles: [Ca+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Ca/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: Glycine, N-methyl-N-(1-oxooctadecyl)-
cas: 142-48-3
chemspiderid: 60670
dtxsid: DTXSID8059716
formula: C21H41N1O3
inchikey: RJYOKYDKKOFLBT-UHFFFAOYSA-N
norman_susdat_id: NS00014119
pubchem_cid: 67339
smiles: CCCCCCCCCCCCCCCCCC(=O)N(C)CC(O)=O
inchi:
InChI=1S/C21H41NO3/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/h3-19H2,1-2H3,(H,24,25)


name: 2-hydroxypropyl ricinoleate
cas: 142-56-3
formula: C21H40O4
inchikey: JZSMZIOJUHECHW-GTJZZHROSA-N
norman_susdat_id: NS00079241
smiles: CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(C)O
inchi:
InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3


name: Pentyl oleate
cas: 142-57-4
formula: C23H44O2
inchikey: YEUKJHYLBPPSQJ-SEYXRHQNSA-N
norman_susdat_id: NS00041467
pubchem_cid: 5354230
smiles: O=C(OCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3


name: 2-hydroxypropyl stearate
cas: 142-75-6
dtxsid: DTXSID30872292
formula: C21H42O3
inchikey: FKOKUHFZNIUSLW-UHFFFAOYSA-N
norman_susdat_id: NS00041805
pubchem_cid: 14878
smiles: O=C(OCC(O)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h20,22H,3-19H2,1-2H3


name: 2-hydroxypropyl oleate
cas: 142-76-7
formula: C21H40O3
inchikey: ZVTDEEBSWIQAFJ-KHPPLWFESA-N
norman_susdat_id: NS00079237
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C)O
inchi:
InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3


name: Butyl cis-9-octadecenoate
cas: 142-77-8
chebiid: CHEBI:82946
chemspiderid: 4510551
dtxsid: DTXSID7027099
formula: C22H42O2
inchikey: WIBFFTLQMKKBLZ-SEYXRHQNSA-N
norman_susdat_id: NS00012058
pubchem_cid: 5354342
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCCCC
inchi:
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-


name: Sodium hydrogen N-[2-(sulphonatooxy)ethyl]lauramidate
cas: 142-86-9
formula: C14H29NO5S.Na
inchikey: VOARWFBIDIEJLM-UHFFFAOYSA-M
norman_susdat_id: NS00079245
smiles: CCCCCCCCCCCC(=O)NCCOS(=O)(=O)O[Na]
inchi:
InChI=1/C14H29NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20-21(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1/rC14H28NNaO5S/c1-2-3-4-5-6-7-8-9-10-11-14(17)15-12-13-20-22(18,19)21-16/h2-13H2,1H3,(H,15,17)


name: 2',5-dichloro-4'-nitrosalicylanilide
cas: 1420-04-8
formula: C13H8Cl2N2O4.C2H7NO
inchikey: WAALPLDKIXSVDW-UHFFFAOYSA-N
norman_susdat_id: NS00081206
smiles: Clc2cc(ccc2/N=C(\O)c1cc(Cl)ccc1O)[N+]([O-])=O.CCCN
inchi:
InChI=1/C13H8Cl2N2O4.C3H9N/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-3-4/h1-6,18H,(H,16,19);2-4H2,1H3


name: Trifenmorph
cas: 1420-06-0
chebiid: CHEBI:82264
chemspiderid: 14273
dtxsid: DTXSID6042492
formula: C23H23N1O1
inchikey: ZJMLMBICUVVJDX-UHFFFAOYSA-N
norman_susdat_id: NS00002621
pubchem_cid: 14993
smiles: C1CN(CCO1)C(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2


name: S-acetoacetylcoenzyme A
cas: 1420-36-6
chebiid: CHEBI:15345
dtxsid: DTXSID30931292
formula: C25H40N7O18P3S
inchikey: OJFDKHTZOUZBOS-CITAKDKDSA-N
norman_susdat_id: NS00044811
pubchem_cid: 92153
inchi:
InChI=1/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)

smiles:
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CC(=O)C


name: Codeine sulphate
cas: 1420-53-7
formula: C18H21NO3.1/2H2O4S
inchikey: REJWPZYIFAQSIK-FFHNEAJVSA-N
norman_susdat_id: NS00081576
smiles: COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OS(=O)(=O)O
inchi:
InChI=1/C18H21NO3.H2O4S/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4)


name: Thiethylperazine
cas: 1420-55-9
chebiid: CHEBI:9544
chemspiderid: 5245
dtxsid: DTXSID1023651
formula: C22H29N3S2
inchikey: XCTYLCDETUVOIP-UHFFFAOYSA-N
norman_susdat_id: NS00004048
pubchem_cid: 5440
smiles: CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
inchi:
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3


name: 21-hydroxypregn-4-ene-3,20-dione 21-heptanoate
cas: 1420-68-4
dtxsid: DTXSID10931295
formula: C28H42O4
inchikey: UNGDDFDVVHFRQA-FTIQDDARSA-N
norman_susdat_id: NS00045544
pubchem_cid: 102121
smiles: O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)CCCCCC
inchi:
InChI=1/C28H42O4/c1-4-5-6-7-8-26(31)32-18-25(30)24-12-11-22-21-10-9-19-17-20(29)13-15-27(19,2)23(21)14-16-28(22,24)3/h17,21-24H,4-16,18H2,1-3H3


name: Saredutant
cas: 142001-63-6
chemspiderid: 94726
dtxsid: DTXSID00161923
formula: C31H35Cl2N3O2
inchikey: PGKXDIMONUAMFR-AREMUKBSSA-N
norman_susdat_id: NS00024609
pubchem_cid: 104974
smiles: CN(C[C@@H](CCN1CCC(CC1)(NC(=O)C)c1ccccc1)c1cc(Cl)c(Cl)cc1)C(=O)c1ccccc1
inchi:
InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-isocyanatodecane
cas: 142010-50-2
chemspiderid: 17339411
dtxsid: DTXSID60583420
formula: C11H4F17N1O1
inchikey: XBIIIDIAZYSZBI-UHFFFAOYSA-N
norman_susdat_id: NS00018769
pubchem_cid: 16211398
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)CCN=C=O
inchi:
InChI=1S/C11H4F17NO/c12-4(13,1-2-29-3-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2


name: acalabrutinib
cas: 1420477-60-6
chebiid: CHEBI:167707
formula: C26H23N7O2
inchikey: WDENQIQQYWYTPO-IBGZPJMESA-N
norman_susdat_id: NS00073620
pubchem_cid: 71226662
smiles: CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12
inchi:
InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1


name: 2-Butenoic acid, 3-amino-, 1,4-butanediyl ester
cas: 14205-47-1
chemspiderid: 76013
dtxsid: DTXSID0065727
formula: C12H20N2O4
inchikey: DFUXQARZEWMFLQ-UHFFFAOYSA-N
norman_susdat_id: NS00024611
pubchem_cid: 84256
smiles: C/C(=CC(=O)OCCCCOC(=O)/C=C(C)/N)/N
inchi:
InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7+,10-8+


name: 1,3-Dioxolo[4,5-g]quinoline-7-carboxylic acid, 8-hydroxy-, ethyl ester
cas: 14205-65-3
chemspiderid: 76014
dtxsid: DTXSID5065728
formula: C13H11N1O5
inchikey: VZKWWMFVWHSLHK-UHFFFAOYSA-N
norman_susdat_id: NS00024612
pubchem_cid: 84257
smiles: CCOC(=O)c1c[nH]c2c(cc3OCOc3c2)c1=O
inchi:
InChI=1S/C13H11NO5/c1-2-17-13(16)8-5-14-9-4-11-10(18-6-19-11)3-7(9)12(8)15/h3-5H,2,6H2,1H3,(H,14,15)


name: ST51035903
cas: 142055-59-2
chemspiderid: 2103290
dtxsid: DTXSID80385024
formula: C18H15N3O3
inchikey: BLONEGBCAUDOMU-UHFFFAOYSA-N
norman_susdat_id: NS00018542
pubchem_cid: 2825116
smiles: O=N(=O)c1ccccc1c1c(C(=O)C)c(nn1c1ccccc1)C
inchi:
InChI=1S/C18H15N3O3/c1-12-17(13(2)22)18(15-10-6-7-11-16(15)21(23)24)20(19-12)14-8-4-3-5-9-14/h3-11H,1-2H3


name: Marsilin
cas: 14206-01-0
chemspiderid: 76015
dtxsid: DTXSID10161934
formula: C56H112O2
inchikey: OHXVNPLQCLJGEX-UHFFFAOYSA-N
norman_susdat_id: NS00024613
pubchem_cid: 84258
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C56H112O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-55-58-56(57)54-52-50-48-46-44-42-40-38-36-34-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-55H2,1-2H3


name: 4-Epidemeclocycline
cas: 14206-59-8
chemspiderid: 10444445
formula: C21H21Cl1N2O8
inchikey: GUXHBMASAHGULD-UHFFFAOYSA-N
norman_susdat_id: NS00040650
pubchem_cid: 54731359
smiles: CN(C)C1C2CC3C(O)c4c(Cl)ccc(O)c4C(O)=C3C(=O)C2(O)C(O)=C(C(N)=O)C1=O
inchi:
InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31)


name: Decane, 1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluoro-
cas: 142083-52-1
dtxsid: DTXSID30433024
formula: C10H4F18
inchikey: XYTVKPCMDPOOFB-UHFFFAOYSA-N
norman_susdat_id: NS00109870
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H4F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H2


name: Propanidid
cas: 1421-14-3
chebiid: CHEBI:135432
chemspiderid: 14283
dtxsid: DTXSID7048825
formula: C18H27N1O5
inchikey: KEJXLQUPYHWCNM-UHFFFAOYSA-N
norman_susdat_id: NS00004551
pubchem_cid: 15004
smiles: CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
inchi:
InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3


name: N-[N-[(phenylmethoxy)carbonyl]glycyl]-L-leucine
cas: 1421-69-8
formula: C16H22N2O5
inchikey: MRRLFGAIRAUOCS-ZDUSSCGKSA-N
norman_susdat_id: NS00044632
pubchem_cid: 96816
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)NC(C(=O)O)CC(C)C
inchi:
InChI=1/C16H22N2O5/c1-11(2)8-13(15(20)21)18-14(19)9-17-16(22)23-10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)


name: Strychnine hydrochloride
cas: 1421-86-9
chebiid: CHEBI:90699
formula: C21H22N2O2.ClH
inchikey: VLXYTKMPCOQKEM-ZEYGOCRCSA-N
norman_susdat_id: NS00081060
smiles: Cl.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
inchi:
InChI=1/C21H22N2O2.ClH/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;/h1-5,13,16-17,19-20H,6-11H2;1H


name: N-[(4-Bromophenyl)oxido(trifluoromethyl)sulfanylidene]perfluorobutanesulfonamide
cas: 1421133-00-7
dtxsid: DTXSID90897087
formula: C11H4BrF12NO3S2
inchikey: QZQHCXTZPMSMEM-UHFFFAOYSA-N
norman_susdat_id: NS00112212
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N=S(=O)(C1=CC=C(Br)C=C1)C(F)(F)F
inchi:
InChI=1/C11H4BrF12NO3S2/c12-5-1-3-6(4-2-5)29(26,11(22,23)24)25-30(27,28)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-4H


name: N-[(4-Bromophenyl)(perfluorobutyl)oxido-λ4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
cas: 1421133-01-8
dtxsid: DTXSID90897249
formula: C11H4BrF12NO3S2
inchikey: SMPHWWVKYFLKNG-UHFFFAOYSA-N
norman_susdat_id: NS00112213
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=NS(=O)(=O)C(F)(F)F)C1=CC=C(Br)C=C1
inchi:
InChI=1/C11H4BrF12NO3S2/c12-5-1-3-6(4-2-5)29(26,25-30(27,28)11(22,23)24)10(20,21)8(15,16)7(13,14)9(17,18)19/h1-4H


name: N-[(2R)-1-Hydroxypropan-2-yl]hexadecanamide
cas: 142128-47-0
chebiid: CHEBI:156180
dtxsid: DTXSID40576577
formula: C19H39NO2
inchikey: RYVPKPNOVYCJAP-GOSISDBHSA-N
norman_susdat_id: NS00096600
smiles: CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO
inchi:
InChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-18(2)17-21/h18,21H,3-17H2,1-2H3,(H,20,22)/t18-/m1/s1


name: Ketoconazole, (2S,4R)-
cas: 142128-57-2
chebiid: CHEBI:47518
dtxsid: DTXSID60161949
formula: C26H28Cl2N4O4
inchikey: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
norman_susdat_id: NS00075575
smiles: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1
inchi:
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1


name: osimertinib mesylate
cas: 1421373-65-0
chebiid: CHEBI:90943
formula: C28H33N7O2
inchikey: DUYJMQONPNNFPI-UHFFFAOYSA-N
norman_susdat_id: NS00073136
pubchem_cid: 71496458
smiles: C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
inchi:
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)


name: Dibutylbis[(2-hydroxybenzoyl)oxy]stannane
cas: 14214-24-5
formula: C22H28O6Sn
inchikey: SEWORRWYWLQQNW-UHFFFAOYSA-L
norman_susdat_id: NS00051902
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C=1C=CC=CC1O)(CCCC)CCCC)C=2C=CC=CC2O
inchi:
InChI=1/2C7H6O3.2C4H9.Sn/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-3-4-2;/h2*1-4,8H,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H28O6Sn/c1-3-5-15-29(16-6-4-2,27-21(25)17-11-7-9-13-19(17)23)28-22(26)18-12-8-10-14-20(18)24/h7-14,23-24H,3-6,15-16H2,1-2H3


name: Difenoxuron
cas: 14214-32-5
chemspiderid: 24757
dtxsid: DTXSID9041863
formula: C16H18N2O3
inchikey: AMVYOVYGIJXTQB-UHFFFAOYSA-N
norman_susdat_id: NS00009323
pubchem_cid: 26576
smiles: COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1
inchi:
InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)


name: Cholesta-4,6-diene-3ß-ol
cas: 14214-69-8
chebiid: CHEBI:172983
dtxsid: DTXSID40880722
formula: C27H44O
inchikey: KIULDMFHZZHYKZ-DPAQBDIFSA-N
norman_susdat_id: NS00052738
pubchem_cid: 14795191
smiles: OC1C=C2C=CC3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,21-25,28H,6-8,11-16H2,1-5H3


cas: 1421438-81-4
formula: C22H23F3N4O4
inchikey: YCBAQKQAINQRFW-UGSOOPFHSA-N
norman_susdat_id: NS00073070
pubchem_cid: 71236992
smiles: C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
name:
4,4,4-trifluoro-n-(1-{[8-(2-hydroxyethyl)-9-oxo-6,8-diazatricyclo[9.4.0.0²,?]pentadeca-1(15),2(7),3,5,11,13-hexaen-10-yl]carbamoyl}ethyl)butanamide

inchi:
InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1


cas: 1421439-99-7
inchikey: JNYLEBMRHOJNRE-UHFFFAOYSA-M
norman_susdat_id: NS00078155
name:
sodium hydrogen 3-{[4-({4-[(2-aminopropyl)amino]-6-chloro-1,3,5-triazin-2-yl}amino)-5-sulfonato-1-naphthyl]diazenyl}naphthalene-1,5-disulfonate (2:1:1)

smiles:
NC(CNC1=NC(=NC(=N1)Cl)NC1=CC=C(C2=CC=CC(=C12)S(=O)(=O)O)N=NC=1C=C(C=2C=CC=C(C2C1)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Na+].[H+]


name: Acetylglucosamine
cas: 14215-68-0
chebiid: CHEBI:17122
dtxsid: DTXSID90963918
formula: C8H15NO6
inchikey: MBLBDJOUHNCFQT-WCTZXXKLSA-N
norman_susdat_id: NS00068811
pubchem_cid: 65150
smiles: CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1


name: Sweroside
cas: 14215-86-2
chebiid: CHEBI:80907
chemspiderid: 141471
dtxsid: DTXSID70161955
formula: C16H22O9
inchikey: VSJGJMKGNMDJCI-ZASXJUAOSA-N
norman_susdat_id: NS00094766
pubchem_cid: 161036
smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1


name: 1,4-dihydroxy-2,2,6,6-tetramethylpiperidinium 2-hydroxy-1,2,3-propanetricarboxylate
cas: 142155-44-0
chemspiderid: NA
formula: C15H25N1O8
inchikey: ZAYUYTRZLIIHAR-UHFFFAOYSA-N
norman_susdat_id: NS00006490
pubchem_cid: 50942843
smiles: CC1(C)CC(O)CC(C)(C)N1OC(=O)CC(O)(CC(O)=O)C(O)=O
inchi:
InChI=1S/C15H25NO8/c1-13(2)5-9(17)6-14(3,4)16(13)24-11(20)8-15(23,12(21)22)7-10(18)19/h9,17,23H,5-8H2,1-4H3,(H,18,19)(H,21,22)


name: Hederasaponin C (Hederacoside C)
cas: 14216-03-6
chebiid: CHEBI:69371
chemspiderid: 11491905
formula: C59H96O26
inchikey: RYHDIBJJJRNDSX-MCGLQMIESA-N
norman_susdat_id: NS00093705
pubchem_cid: 9666711
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H]([C@@]8(C)CO)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)CO)O)O)O


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [3-(trimethoxysilyl)propyl]carbamate
cas: 1421688-36-9
dtxsid: DTXSID70896154
formula: C15H20F13NO5Si
inchikey: UNYPRTCZVBILGW-UHFFFAOYSA-N
norman_susdat_id: NS00111459
smiles: CO[Si](CCCNC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
inchi:
InChI=1S/C15H20F13NO5Si/c1-31-35(32-2,33-3)8-4-6-29-9(30)34-7-5-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h4-8H2,1-3H3,(H,29,30)


cas: 1421866-48-9
formula: C25H37N5O6
inchikey: DVBUEXCIEIAXPM-PJUQSVSOSA-N
norman_susdat_id: NS00073441
pubchem_cid: 71249967
smiles: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@]1(Cc1ccccc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O
name:
2-({1-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-benzylpyrrolidin-2-yl}formamido)-3-hydroxybutanamide

inchi:
InChI=1S/C25H37N5O6/c1-15(31)19(26)23(35)29-12-6-10-18(29)22(34)30-13-7-11-25(30,14-17-8-4-3-5-9-17)24(36)28-20(16(2)32)21(27)33/h3-5,8-9,15-16,18-20,31-32H,6-7,10-14,26H2,1-2H3,(H2,27,33)(H,28,36)/t15-,16-,18+,19+,20+,25-/m1/s1


name: Codeine hydrochloride
cas: 1422-07-7
formula: C18H21NO3.ClH
inchikey: NUXLENPAZQNFAM-FFHNEAJVSA-N
norman_susdat_id: NS00080699
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-13,17,20H,7-9H2,1-2H3;1H


name: Triammonium hexacyanoferrate
cas: 14221-48-8
chebiid: CHEBI:30068
formula: C6FeN6.3H4N
inchikey: RHGQHPKUDOFZPE-UHFFFAOYSA-Q
norman_susdat_id: NS00084868
smiles: [NH4+].[NH4+].[NH4+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
inchi:
InChI=1/6CN.Fe.3H3N/c6*1-2;;;;/h;;;;;;;3*1H3/p+3/rC6FeN6.3H3N/c8-1-7(2-9,3-10,4-11,5-12)6-13;;;/h;3*1H3/p+3


name: Pyritidium bromide
cas: 14222-46-9
dtxsid: DTXSID40931389
formula: C26H27N7
inchikey: IXNYZBNLCCQASS-UHFFFAOYSA-N
norman_susdat_id: NS00052739
pubchem_cid: 71866
smiles: [Br-].[Br-].N=1C(=CC(=[N+](C1N)C)C)NC=2C=CC3=C4C=CC(N)=CC4=[N+](C(C=5C=CC(N)=CC5)=C3C2)C
inchi:
InChI=1/C26H25N7.2BrH/c1-15-12-24(31-26(29)32(15)2)30-19-9-11-20-21-10-8-18(28)13-23(21)33(3)25(22(20)14-19)16-4-6-17(27)7-5-16;;/h4-14H,1-3H3,(H5,27,28,29,30,31);2*1H


name: 2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane
cas: 14228-73-0
chemspiderid: 55618
dtxsid: DTXSID1044805
formula: C14H24O4
inchikey: VQMQXWYQIIUJIT-UHFFFAOYNA-N
norman_susdat_id: NS00019453
pubchem_cid: NA
smiles: C(OCC1CCC(COCC2CO2)CC1)C1CO1
inchi:
InChI=1S/C14H24O4/c1-2-12(6-16-8-14-10-18-14)4-3-11(1)5-15-7-13-9-17-13/h11-14H,1-10H2/t11-,12-,13-,14+


name: Estra-1,3,5,7,9-pentaene-3,17ß-diol
cas: 1423-97-8
formula: C18H20O2
inchikey: RYWZPRVUQHMJFF-BZSNNMDCSA-N
norman_susdat_id: NS00081029
smiles: C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
inchi:
InChI=1/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3


name: 2-(3-pentadecylphenoxy)butyric acid
cas: 14230-52-5
dtxsid: DTXSID30884734
formula: C25H42O3
inchikey: MTBHDSNPUORPTN-UHFFFAOYSA-N
norman_susdat_id: NS00051919
pubchem_cid: 85701
smiles: O=C(O)C(OC1=CC=CC(=C1)CCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C25H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(21-22)28-24(4-2)25(26)27/h17,19-21,24H,3-16,18H2,1-2H3,(H,26,27)


name: 1,4-Bis(N-isopropylamino)anthraquinone
cas: 14233-37-5
chemspiderid: 55619
dtxsid: DTXSID2041250
formula: C20H22N2O2
inchikey: BLFZMXOCPASACY-UHFFFAOYSA-N
norman_susdat_id: NS00019548
pubchem_cid: 61719
smiles: CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3


name: Adefovir dipivoxil
cas: 142340-99-6
chebiid: CHEBI:31175
chemspiderid: 54855
dtxsid: DTXSID5046487
formula: C20H32N5O8P1
inchikey: WOZSCQDILHKSGG-UHFFFAOYSA-N
norman_susdat_id: NS00005343
pubchem_cid: 60871
smiles: CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc12)OCOC(=O)C(C)(C)C
inchi:
InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)


name: Hydrargaphen
cas: 14235-86-0
formula: C33H24Hg2O6S2
inchikey: KDNVJBRRDKAHDA-UHFFFAOYSA-L
norman_susdat_id: NS00086755
smiles: O=S(=O)(O[Hg]c1ccccc1)c5cc6ccccc6cc5Cc2cc4ccccc4cc2S(=O)(=O)O[Hg]c3ccccc3
inchi:
InChI=1/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2/rC33H24Hg2O6S2/c36-42(37,40-34-30-15-3-1-4-16-30)32-22-26-13-9-7-11-24(26)19-28(32)21-29-20-25-12-8-10-14-27(25)23-33(29)43(38,39)41-35-31-17-5-2-6-18-31/h1-20,22-23H,21H2


name: Bis(hexadecanoato-O)hydroxyaluminium
cas: 14236-50-1
formula: C32H63AlO5
inchikey: DXUAAUQADXUQQB-UHFFFAOYSA-K
norman_susdat_id: NS00086423
smiles: CCCCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.Al.H2O/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;;+3;/p-3/rC32H63AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(34)37-33(36)38-32(35)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-30H2,1-2H3


name: Alachlor ESA
cas: 142363-53-9
chebiid: CHEBI:83449
chemspiderid: 103108
dtxsid: DTXSID6037485
formula: C14H21N1O5S1
inchikey: UTCJUUGCHWHUNI-UHFFFAOYSA-N
norman_susdat_id: NS00010517
pubchem_cid: 115236
smiles: CCC1=CC=CC(CC)=C1N(COC)C(=O)CS(O)(=O)=O
eea_notation: CAS_142363-53-9
inchi:
InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)


name: Lithium butyltriisobutylaluminate
cas: 14239-17-9
formula: C16H36Al.Li
inchikey: FYVDOAVBRKMCOQ-UHFFFAOYSA-N
norman_susdat_id: NS00086424
smiles: [Li+].CCCC[Al-](CC(C)C)(CC(C)C)CC(C)C
inchi:
InChI=1/4C4H9.Al.Li/c3*1-4(2)3;1-3-4-2;;/h3*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;-1;+1/rC16H36Al.Li/c1-8-9-10-17(11-14(2)3,12-15(4)5)13-16(6)7;/h14-16H,8-13H2,1-7H3;/q-1;+1


name: 2,5-dichlorobenzenediazonium tetrachlorozincate (2:1)
cas: 14239-23-7
formula: C6H3Cl2N2.1/2Cl4Zn
inchikey: ZPPYKHORKPVTPP-UHFFFAOYSA-J
norman_susdat_id: NS00086851
smiles: Clc1ccc(Cl)c(c1)[N+]#N.Clc2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C6H3Cl2N2.4ClH.Zn/c2*7-4-1-2-5(8)6(3-4)10-9;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H3Cl2N2.Cl4Zn/c2*7-4-1-2-5(8)6(3-4)10-9;1-5(2,3)4/h2*1-3H;/q2*+1;-2


name: Mesterolone
cas: 1424-00-6
chebiid: CHEBI:135293
chemspiderid: 14296
dtxsid: DTXSID90878533
formula: C20H32O2
inchikey: UXYRZJKIQKRJCF-TZPFWLJSSA-N
norman_susdat_id: NS00007289
pubchem_cid: 15020
smiles: C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C
inchi:
InChI=1S/C20H32O2/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/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1


name: 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
cas: 142439-61-0
dtxsid: DTXSID90162040
formula: C11H12Cl2N4O5
inchikey: DQMALWRRERBILB-UHFFFAOYSA-N
norman_susdat_id: NS00069593
pubchem_cid: 126690
smiles: NC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-]
inchi:
InChI=1S/C11H12Cl2N4O5/c12-1-3-15(4-2-13)9-5-7(11(14)18)8(16(19)20)6-10(9)17(21)22/h5-6H,1-4H2,(H2,14,18)


name: Tris(3-methylpentane-2,4-dionato-O,O')chromium
cas: 14244-35-0
formula: C18H27CrO6
inchikey: UWZVZQVYADCZFC-UHFFFAOYSA-K
norman_susdat_id: NS00086798
smiles: CC(=C(C)C(=O)C)O[Cr](OC(=C(C)C(=O)C)C)OC(=C(C)C(=O)C)C
inchi:
InChI=1/3C6H10O2.Cr/c3*1-4(5(2)7)6(3)8;/h3*7H,1-3H3;/q;;;+3/p-3/rC18H27CrO6/c1-10(13(4)20)16(7)23-19(24-17(8)11(2)14(5)21)25-18(9)12(3)15(6)22/h1-9H3


name: Bis(dinonyldithiocarbamato-S,S')zinc
cas: 14244-40-7
formula: C38H76N2S4Zn
inchikey: QOAIPKKMOWKBTE-UHFFFAOYSA-L
norman_susdat_id: NS00087470
smiles: CCCCCCCCCN(CCCCCCCCC)C(=S)S[Zn]SC(=S)N(CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/2C19H39NS2.Zn/c2*1-3-5-7-9-11-13-15-17-20(19(21)22)18-16-14-12-10-8-6-4-2;/h2*3-18H2,1-2H3,(H,21,22);/q;;+2/p-2/rC38H76N2S4Zn/c1-5-9-13-17-21-25-29-33-39(34-30-26-22-18-14-10-6-2)37(41)43-45-44-38(42)40(35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-36H2,1-4H3


name: Flufenacet
cas: 142459-58-3
chebiid: CHEBI:81920
chemspiderid: 77944
dtxsid: DTXSID2032552
formula: C14H13F4N3O2S1
inchikey: IANUJLZYFUDJIH-UHFFFAOYSA-N
norman_susdat_id: NS00000324
pubchem_cid: 86429
smiles: O=C(COc1nnc(s1)C(F)(F)F)N(c2ccc(F)cc2)C(C)C
eea_notation: CAS_142459-58-3
inchi:
InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3


name: Tritosulfuron
cas: 142469-14-5
chebiid: CHEBI:83500
chemspiderid: 9832635
dtxsid: DTXSID9057975
formula: C13H9F6N5O4S1
inchikey: KVEQCVKVIFQSGC-UHFFFAOYSA-N
norman_susdat_id: NS00000377
pubchem_cid: 11657899
smiles: c1c(S(=O)(=O)NC(Nc2nc(nc(n2)C(F)(F)F)OC)=O)c(C(F)(F)F)ccc1
inchi:
InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)


name: Phosphoric acid, diphenyl tetradecyl ester
cas: 142474-86-0
dtxsid: DTXSID5073113
formula: C26H39O4P
inchikey: RZERPLOQPHIGRF-UHFFFAOYSA-N
norman_susdat_id: NS00113606
smiles: CCCCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
inchi:
InChI=1S/C26H39O4P/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-28-31(27,29-25-20-15-13-16-21-25)30-26-22-17-14-18-23-26/h13-18,20-23H,2-12,19,24H2,1H3


cas: 1424799-20-1
formula: C24H16F4N4O2
inchikey: VKCPFWKTFZAOTO-LEWJYISDSA-N
norman_susdat_id: NS00073436
pubchem_cid: 89508529
smiles: N#Cc1cc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(F)(F)F)[C@@H]2c2cccnc2)ccc1F
name:
N-(3-cyano-4-fluorophenyl)-1-oxo-3-(pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

inchi:
InChI=1S/C24H16F4N4O2/c25-19-8-7-16(10-15(19)11-29)31-22(33)20-17-5-1-2-6-18(17)23(34)32(13-24(26,27)28)21(20)14-4-3-9-30-12-14/h1-10,12,20-21H,13H2,(H,31,33)/t20-,21+/m0/s1


name: Chlorpheniramine N-oxide
cas: 142494-45-9
chemspiderid: 2299904
dtxsid: DTXSID90162060
formula: C16H19Cl1N2O1
inchikey: NMEICKDXQPVPKK-OAHLLOKOSA-N
norman_susdat_id: NS00004504
pubchem_cid: 3035735
smiles: CN(C)(=O)CC[C@H](c1ccc(Cl)cc1)c1ccccn1
inchi:
InChI=1S/C16H19ClN2O/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1


name: 17ß-hydroxyestr-4-en-3-one 17-acetate
cas: 1425-10-1
dtxsid: DTXSID90931490
formula: C20H28O3
inchikey: TTWYUPSVWLOIRF-XGXHKTLJSA-N
norman_susdat_id: NS00044633
pubchem_cid: 102122
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C
inchi:
InChI=1/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8,8-dimethoxyoctane
cas: 142502-76-9
dtxsid: DTXSID30379852
formula: C10H9F13O2
inchikey: BYPGRUVLTPMKIS-UHFFFAOYSA-N
norman_susdat_id: NS00109856
smiles: COC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
inchi:
InChI=1S/C10H9F13O2/c1-24-4(25-2)3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4H,3H2,1-2H3


name: Bupivacaine hydrochloride
cas: 14252-80-3
chebiid: CHEBI:77441
dtxsid: DTXSID0030877
formula: C18H29ClN2O
inchikey: SIEYLFHKZGLBNX-UHFFFAOYSA-N
norman_susdat_id: NS00076151
smiles: Cl.CCCCN1CCCCC1C(=O)NC1=C(C)C=CC=C1C
inchi:
InChI=1/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H


name: Butoxydibutylchlorostannane
cas: 14254-22-9
dtxsid: DTXSID4065737
formula: C12H27ClOSn
inchikey: HMNBEAWAEJQTRZ-UHFFFAOYSA-M
norman_susdat_id: NS00053393
pubchem_cid: NA
smiles: Cl[Sn](OCCCC)(CCCC)CCCC
inchi:
InChI=1/C4H9O.2C4H9.ClH.Sn/c1-2-3-4-5;2*1-3-4-2;;/h2-4H2,1H3;2*1,3-4H2,2H3;1H;/q-1;;;;+2/p-1/rC12H27ClOSn/c1-4-7-10-14-15(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3


name: 2-Naphthalenecarboxamide, 4-[[5-(aminocarbonyl)-2-methylphenyl]azo]-3-hydroxy-N-(4-methoxyphenyl)-
cas: 14254-76-3
dtxsid: DTXSID9065738
formula: C26H22N4O4
inchikey: RGPDBUFBAKNLRJ-UHFFFAOYSA-N
norman_susdat_id: NS00053809
pubchem_cid: 84297
smiles: O=C(N)C1=CC=C(C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C(OC)C=C4)=C1)C
inchi:
InChI=1/C26H22N4O4/c1-15-7-8-17(25(27)32)14-22(15)29-30-23-20-6-4-3-5-16(20)13-21(24(23)31)26(33)28-18-9-11-19(34-2)12-10-18/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)


name: Parbendazole
cas: 14255-87-9
chebiid: CHEBI:94267
chemspiderid: 24775
dtxsid: DTXSID0045410
formula: C13H17N3O2
inchikey: YRWLZFXJFBZBEY-UHFFFAOYSA-N
norman_susdat_id: NS00024636
pubchem_cid: 26596
smiles: CCCCc1cc2c(cc1)nc(NC(=O)OC)[nH]2
inchi:
InChI=1S/C13H17N3O2/c1-3-4-5-9-6-7-10-11(8-9)15-12(14-10)16-13(17)18-2/h6-8H,3-5H2,1-2H3,(H2,14,15,16,17)


name: Fenazaflor
cas: 14255-88-0
chebiid: CHEBI:82159
chemspiderid: 24776
dtxsid: DTXSID2041969
formula: C15H7Cl2F3N2O2
inchikey: ISVQSVPUDBVFFU-UHFFFAOYSA-N
norman_susdat_id: NS00021651
pubchem_cid: 26597
smiles: FC(F)(F)c1nc2c(cc(Cl)c(Cl)c2)n1C(=O)Oc1ccccc1
inchi:
InChI=1S/C15H7Cl2F3N2O2/c16-9-6-11-12(7-10(9)17)22(13(21-11)15(18,19)20)14(23)24-8-4-2-1-3-5-8/h1-7H


cas: 14259-45-1
dtxsid: DTXSID70878339
formula: C18H22O11
inchikey: IBIPGYWNOBGEMH-UHFFFAOYSA-N
norman_susdat_id: NS00053913
pubchem_cid: 233330
smiles: O=C1OC2C=C(COC(=O)C)C3C(OC=C1C23)OC4OC(CO)C(O)C(O)C4O
name:
[2aS-(2aa,4aa,5a,7ba)]-5-(ß-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-ylmethyl acetate

inchi:
InChI=1/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3


cas: 14259-46-2
chebiid: CHEBI:28705
dtxsid: DTXSID30931535
formula: C27H32O14
inchikey: HXTFHSYLYXVTHC-AJHDJQPGSA-N
norman_susdat_id: NS00053810
pubchem_cid: 442431
smiles: O=C1C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2OC(C5=CC=C(O)C=C5)C1
name:
(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

inchi:
InChI=1/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3


cas: 14259-47-3
dtxsid: DTXSID90931536
formula: C28H34O14
inchikey: RMCRQBAILCLJGU-UHFFFAOYSA-N
norman_susdat_id: NS00053832
pubchem_cid: 85705
smiles: O=C1C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2OC(C5=CC=C(OC)C=C5)C1
name:
(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one

inchi:
InChI=1/C28H34O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-29,31-36H,9-10H2,1-2H3


name: 5'-Deoxy-5'-iodouridine
cas: 14259-58-6
chemspiderid: 75952
dtxsid: DTXSID40162095
formula: C9H11I1N2O5
inchikey: NEMNIUYGXIQPPK-XVFCMESISA-N
norman_susdat_id: NS00024638
pubchem_cid: 188325
smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1CI)n1ccc(=O)[nH]c1=O
inchi:
InChI=1S/C9H11IN2O5/c10-3-4-6(14)7(15)8(17-4)12-2-1-5(13)11-9(12)16/h1-2,4,6-8,14-15H,3H2,(H,11,13,16)/t4-,6-,7-,8-/m0/s1


name: 4-(1H,1H,2H,2H-Perfluorodecylthio)phenol
cas: 142623-70-9
chemspiderid: 9573875
dtxsid: DTXSID70464615
formula: C16H9F17O1S1
inchikey: HNEIKMUHLLYTLP-UHFFFAOYSA-N
norman_susdat_id: NS00018771
pubchem_cid: 11398975
smiles: OC1=CC=C(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C16H9F17OS/c17-9(18,5-6-35-8-3-1-7(34)2-4-8)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4,34H,5-6H2


name: 4-chloro-2-nitrobenzenediazonium tetrachlorozincate (2:1)
cas: 14263-89-9
formula: C6H3ClN3O2.1/2Cl4Zn
inchikey: SEJJAROGLQFLQR-UHFFFAOYSA-J
norman_susdat_id: NS00086824
smiles: [O-][N+](=O)c1cc(Cl)ccc1[N+]#N.[O-][N+](=O)c2cc(Cl)ccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C6H3ClN3O2.4ClH.Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H3ClN3O2.Cl4Zn/c2*7-4-1-2-5(9-8)6(3-4)10(11)12;1-5(2,3)4/h2*1-3H;/q2*+1;-2


name: 5-[(diethylamino)sulphonyl]-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 14263-90-2
formula: C11H16N3O3S.1/2Cl4Zn
inchikey: GWQOSIMXEKQVSC-UHFFFAOYSA-J
norman_susdat_id: NS00087471
smiles: CCN(CC)S(=O)(=O)c1ccc(OC)c(c1)[N+]#N.CCN(CC)S(=O)(=O)c2ccc(OC)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C11H16N3O3S.4ClH.Zn/c2*1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;;;;;/h2*6-8H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C11H16N3O3S.Cl4Zn/c2*1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;1-5(2,3)4/h2*6-8H,4-5H2,1-3H3;/q2*+1;-2


name: 3,5-bis(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1)
cas: 14263-91-3
formula: C8H3F6N2.1/2Cl4Zn
inchikey: RVJMLOOUJQZBSY-UHFFFAOYSA-J
norman_susdat_id: NS00086825
smiles: FC(F)(F)c1cc(cc(c1)C(F)(F)F)[N+]#N.FC(F)(F)c2cc(cc(c2)C(F)(F)F)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C8H3F6N2.4ClH.Zn/c2*9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C8H3F6N2.Cl4Zn/c2*9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15;1-5(2,3)4/h2*1-3H;/q2*+1;-2


name: 2-chlorobenzenediazonium tetrachlorozincate (2:1)
cas: 14263-92-4
formula: C6H4ClN2.1/2Cl4Zn
inchikey: DAGOHHHQXOCGSB-UHFFFAOYSA-J
norman_susdat_id: NS00086907
smiles: Clc1ccccc1[N+]#N.Clc2ccccc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C6H4ClN2.4ClH.Zn/c2*7-5-3-1-2-4-6(5)9-8;;;;;/h2*1-4H;4*1H;/q2*+1;;;;;+2/p-4/r2C6H4ClN2.Cl4Zn/c2*7-5-3-1-2-4-6(5)9-8;1-5(2,3)4/h2*1-4H;/q2*+1;-2


name: 4-cyano-2,5-dimethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 14263-93-5
dtxsid: DTXSID70931559
formula: C9H8N3O2
inchikey: DOQXNOPAYGXEND-UHFFFAOYSA-J
norman_susdat_id: NS00053394
pubchem_cid: 167041
smiles: N#CC=1C=C(OC)C([N+]#N)=CC1OC.N#CC=1C=C(OC)C([N+]#N)=CC1OC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C9H8N3O2.4ClH.Zn/c2*1-13-8-4-7(12-11)9(14-2)3-6(8)5-10;;;;;/h2*3-4H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H8N3O2.Cl4Zn/c2*1-13-8-4-7(12-11)9(14-2)3-6(8)5-10;1-5(2,3)4/h2*3-4H,1-2H3;/q2*+1;-2


name: Calanolide A
cas: 142632-32-4
chebiid: CHEBI:65552
formula: C22H26O5
inchikey: NIDRYBLTWYFCFV-FMTVUPSXSA-N
norman_susdat_id: NS00068706
pubchem_cid: 64972
smiles: CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)[C@@H]3O
inchi:
InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1


cas: 14265-53-3
dtxsid: DTXSID20931569
formula: C28H32O16
inchikey: FMZXFFXOKZSIMV-UHFFFAOYSA-N
norman_susdat_id: NS00054737
pubchem_cid: 5483811
smiles: O=C1C(O)=C(OC2=CC(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)=CC(O)=C12)C=5C=CC(OC)=C(O)C5
name:
7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-benzopyran-4-one

inchi:
InChI=1/C28H32O16/c1-9-18(31)21(34)24(37)27(41-9)40-8-16-19(32)22(35)25(38)28(44-16)42-11-6-13(30)17-15(7-11)43-26(23(36)20(17)33)10-3-4-14(39-2)12(29)5-10/h3-7,9,16,18-19,21-22,24-25,27-32,34-38H,8H2,1-2H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8-Tetradecafluoro-1-phenyloctan-1-one
cas: 1427-89-0
chemspiderid: NA
dtxsid: DTXSID10699808
formula: C14H6F14O1
inchikey: YKPDENKQKRPNPA-UHFFFAOYSA-N
norman_susdat_id: NS00018772
pubchem_cid: 53428622
smiles: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)C1=CC=CC=C1
inchi:
InChI=1S/C14H6F14O/c15-8(16)10(19,20)12(23,24)14(27,28)13(25,26)11(21,22)9(17,18)7(29)6-4-2-1-3-5-6/h1-5,8H


name: N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
cas: 1427176-17-7
dtxsid: DTXSID50896056
formula: C9H8F13NO2S
inchikey: GVOWXVATHAHFAV-UHFFFAOYSA-N
norman_susdat_id: NS00110756
smiles: CCN(C)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/C9H8F13NO2S/c1-3-23(2)26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h3H2,1-2H3


name: 1,1,2,2,3,3,4,4,4-Nonafluoro-N,N-bis(2-methoxyethyl)butane-1-sulfonamide
cas: 1427176-19-9
dtxsid: DTXSID60896128
formula: C10H14F9NO4S
inchikey: HDBRXVSINCDTJD-UHFFFAOYSA-N
norman_susdat_id: NS00111098
smiles: COCCN(CCOC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H14F9NO4S/c1-23-5-3-20(4-6-24-2)25(21,22)10(18,19)8(13,14)7(11,12)9(15,16)17/h3-6H2,1-2H3


name: 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N,N-bis(2-methoxyethyl)hexane-1-sulfonamide
cas: 1427176-20-2
dtxsid: DTXSID10896178
formula: C12H14F13NO4S
inchikey: HEHHZSJJWMGGNV-UHFFFAOYSA-N
norman_susdat_id: NS00109396
smiles: COCCN(CCOC)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/C12H14F13NO4S/c1-29-5-3-26(4-6-30-2)31(27,28)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3-6H2,1-2H3


name: JWH 018 2-hydroxyindole metabolite
cas: 1427325-32-3
chemspiderid: 26458417
formula: C24H23N1O2
inchikey: LSYJCVSGIQLLKF-UHFFFAOYSA-N
norman_susdat_id: NS00017244
pubchem_cid: NA
smiles: CCCCCn1c2ccccc2c(c1O)C(=O)c3cccc4c3cccc4
inchi:
InChI=1S/C24H23NO2/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24(25)27)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15,27H,2-3,8,16H2,1H3


name: JWH 018 6-methoxyindole analog
cas: 1427325-49-2
chemspiderid: 26458653
formula: C25H25N1O2
inchikey: LQWPINYSBSBWIN-UHFFFAOYSA-N
norman_susdat_id: NS00017390
pubchem_cid: 53394753
smiles: CCCCCN1C=C(C2=C1C=C(C=C2)OC)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-14-13-19(28-2)16-24(21)26)25(27)22-12-8-10-18-9-5-6-11-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3


name: (1-butyl-1H-indol-3-yl)(2-methylnaphthalen-1-yl)methanone (JWH 073 2-methylnaphthyl analog)
cas: 1427325-61-8
chemspiderid: 29341456
dtxsid: DTXSID201016557
formula: C24H23N1O1
inchikey: DRPAIIWSIJRPFH-UHFFFAOYSA-N
norman_susdat_id: NS00017395
pubchem_cid: 91743272
smiles: CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=C(C=CC4=CC=CC=C43)C
inchi:
InChI=1S/C24H23NO/c1-3-4-15-25-16-21(20-11-7-8-12-22(20)25)24(26)23-17(2)13-14-18-9-5-6-10-19(18)23/h5-14,16H,3-4,15H2,1-2H3


name: JWH 200 4-OH indole
cas: 1427325-73-2
chemspiderid: 29341839
formula: C25H24N2O3
inchikey: BZFDQRQHYLPNHW-UHFFFAOYSA-N
norman_susdat_id: NS00017267
pubchem_cid: 91701364
smiles: C1COCCN1CCN2C=C(C3=C2C=CC=C3O)C(=O)C4=CC=CC5=CC=CC=C54
inchi:
InChI=1S/C25H24N2O3/c28-23-10-4-9-22-24(23)21(17-27(22)12-11-26-13-15-30-16-14-26)25(29)20-8-3-6-18-5-1-2-7-19(18)20/h1-10,17,28H,11-16H2


name: JWH 200 6-OH indole metabolite
cas: 1427325-76-5
chemspiderid: 29341541
formula: C25H24N2O3
inchikey: PRMFDACRPWNMJK-UHFFFAOYSA-N
norman_susdat_id: NS00017268
pubchem_cid: 91701365
smiles: C1COCCN1CCN2C=C(C3=C2C=C(C=C3)O)C(=O)C4=CC=CC5=CC=CC=C54
inchi:
InChI=1S/C25H24N2O3/c28-19-8-9-21-23(25(29)22-7-3-5-18-4-1-2-6-20(18)22)17-27(24(21)16-19)11-10-26-12-14-30-15-13-26/h1-9,16-17,28H,10-15H2


cas: 1427388-03-1
chemspiderid: NA
formula: C46H61N1O18S1
inchikey: XMNYRGASHYQPNU-UHFFFAOYSA-N
norman_susdat_id: NS00002413
pubchem_cid: 89930775
name:
2-[2-[1-[2-[[2-(9-oxothioxanthen-2-yl)oxyacetyl]amino]-3-[1-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]-2-[1-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]ethyl prop-2-enoate

inchi:
InChI=1S/C46H61NO18S/c1-7-42(49)59-25-19-53-16-22-56-33(4)63-30-46(31-64-34(5)57-23-17-54-20-26-60-43(50)8-2,32-65-35(6)58-24-18-55-21-27-61-44(51)9-3)47-41(48)29-62-36-14-15-40-38(28-36)45(52)37-12-10-11-13-39(37)66-40/h7-15,28,33-35H,1-3,16-27,29-32H2,4-6H3,(H,47,48)

smiles:
CC(OCCOCCOC(=O)C=C)OCC(COC(C)OCCOCCOC(=O)C=C)(COC(C)OCCOCCOC(=O)C=C)NC(=O)COc1ccc2sc3ccccc3c(=O)c2c1


name: (Z)-5,5,12,12-tetrabutyl-7,10-dioxo-6,11-dioxa-5,12-distannahexadec-8-ene
cas: 14275-57-1
formula: C28H56O4Sn2
inchikey: YABTYYUIWFCMDW-DYNMZUSMSA-L
norman_susdat_id: NS00086471
smiles: CCCC[Sn](CCCC)(CCCC)OC(=O)\C=C/C(=O)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C4H4O4.6C4H9.2Sn/c5-3(6)1-2-4(7)8;6*1-3-4-2;;/h1-2H,(H,5,6)(H,7,8);6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC28H56O4Sn2/c1-7-13-21-33(22-14-8-2,23-15-9-3)31-27(29)19-20-28(30)32-34(24-16-10-4,25-17-11-5)26-18-12-6/h19-20H,7-18,21-26H2,1-6H3


name: 2-ethyloctadecanoic acid
cas: 14276-80-3
dtxsid: DTXSID40884740
formula: C20H40O2
inchikey: OHIOERKSFVRABL-UHFFFAOYSA-N
norman_susdat_id: NS00053948
pubchem_cid: 85708
smiles: O=C(O)C(CC)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(4-2)20(21)22/h19H,3-18H2,1-2H3,(H,21,22)


name: L-Domoic acid
cas: 14277-97-5
chemspiderid: 4703585
dtxsid: DTXSID20274180
formula: C15H21N1O6
inchikey: VZFRNCSOCOPNDB-UHFFFAOYSA-N
norman_susdat_id: NS00006559
pubchem_cid: 3150
smiles: CC(C=CC=C(C)C1CNC(C1CC(O)=O)C(O)=O)C(O)=O
inchi:
InChI=1S/C15H21NO6/c1-8(4-3-5-9(2)14(19)20)11-7-16-13(15(21)22)10(11)6-12(17)18/h3-5,9-11,13,16H,6-7H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)


cas: 142776-95-2
chemspiderid: NA
formula: C42H62N4O6
inchikey: KHSLUUMZDCBMJF-UHFFFAOYSA-N
norman_susdat_id: NS00004364
pubchem_cid: 22960310
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC)c(NC(=O)C(N2C(=O)CN(Cc3ccccc3)C2=O)C(=O)C(C)(C)C)c1
name:
N-(2-methoxy-5-octadecanoylaminophenyl)-2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoic acidamide

inchi:
InChI=1S/C42H62N4O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-36(47)43-33-27-28-35(52-5)34(29-33)44-40(50)38(39(49)42(2,3)4)46-37(48)31-45(41(46)51)30-32-24-21-20-22-25-32/h20-22,24-25,27-29,38H,6-19,23,26,30-31H2,1-5H3,(H,43,47)(H,44,50)


name: Sodium 5-[(aminocarbonyl)hydrazono]-2,3,5,6-tetrahydro-1-methyl-6-oxo-1H-indole-3-sulphonate
cas: 1428-72-4
formula: C10H12N4O5S
inchikey: SCQNHNZQDDVKOG-UHFFFAOYSA-M
norman_susdat_id: NS00044651
pubchem_cid: NA
smiles: [Na+].O=C(N)NN=C1C=C2C(=CC1=O)N(C)CC2S(=O)(=O)[O-]
inchi:
InChI=1/C10H12N4O5S.Na/c1-14-4-9(20(17,18)19)5-2-6(12-13-10(11)16)8(15)3-7(5)14;/h2-3,9H,4H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1


name: HMA
cas: 1428-95-1
chebiid: CHEBI:76400
chemspiderid: 1728
dtxsid: DTXSID10162188
formula: C12H18ClN7O
inchikey: RQQJJXVETXFINY-UHFFFAOYSA-N
norman_susdat_id: NS00100942
pubchem_cid: 1794
smiles: C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)NC(=N)N)Cl
inchi:
InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)


name: 4-Acetamido-3-chlorophenyl nonafluorobutane-1-sulfonate
cas: 1428370-26-6
dtxsid: DTXSID00896263
formula: C12H7ClF9NO4S
inchikey: OSNHQRSDSSUDCW-UHFFFAOYSA-N
norman_susdat_id: NS00109041
smiles: CC(=O)Nc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl
inchi:
InChI=1S/C12H7ClF9NO4S/c1-5(24)23-8-3-2-6(4-7(8)13)27-28(25,26)12(21,22)10(16,17)9(14,15)11(18,19)20/h2-4H,1H3,(H,23,24)


name: Calcium magnesium silicate(3:1:2)
cas: 14284-34-5
formula: Ca.2/3H4O4Si.1/3Mg
inchikey: UUDFMGANCHAIJL-UHFFFAOYSA-N
norman_susdat_id: NS00086472
smiles: [MgH2].[CaH2].[CaH2].[CaH2].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/3Ca.Mg.2O3Si.8H/c;;;;2*1-4(2)3;;;;;;;;/q4*+2;2*-2;;;;;;;;/r3CaH2.H2Mg.2O3Si/c;;;;2*1-4(2)3/h4*1H2;;/q4*+2;2*-2


name: Zanapezil
cas: 142852-51-5
dtxsid: DTXSID90861521
formula: C25H32N2O
inchikey: PMBLXLOXUGVTGB-UHFFFAOYSA-N
norman_susdat_id: NS00068345
pubchem_cid: 198752
smiles: O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2
inchi:
InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2


name: Ethyl [5-(heptafluoropropyl)-1H-pyrazol-3-yl]acetate
cas: 1428569-15-6
dtxsid: DTXSID40896186
formula: C10H9F7N2O2
inchikey: GJBXBDJDLLPLPD-UHFFFAOYSA-N
norman_susdat_id: NS00110428
smiles: CCOC(=O)Cc1nNc(c1)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H9F7N2O2/c1-2-21-7(20)4-5-3-6(19-18-5)8(11,12)9(13,14)10(15,16)17/h3H,2,4H2,1H3,(H,18,19)


cas: 142859-67-4
chemspiderid: 57519918
dtxsid: DTXSID40622386
formula: C41H61N5O3
inchikey: VYQRWZFWPDWBTN-UHFFFAOYSA-N
norman_susdat_id: NS00024644
pubchem_cid: 22095222
smiles: CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)NCC(C)C1=NN2NC(CC)=C(OC3=CC=C(C)C=C3)C2=N1
name:
N-{2-[6-Ethyl-7-(4-methylphenoxy)-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]propyl}-2-(octadecyloxy)benzamide

inchi:
InChI=1S/C41H61N5O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-30-48-37-25-22-21-24-35(37)41(47)42-31-33(4)39-43-40-38(36(6-2)44-46(40)45-39)49-34-28-26-32(3)27-29-34/h21-22,24-29,33,44H,5-20,23,30-31H2,1-4H3,(H,42,47)/t33-/m0/s1


name: [3-[(1-benzylcycloheptyl)oxy]propyl]dimethylammonium hydrogen fumarate
cas: 14286-84-1
formula: C19H31NO.C4H4O4
inchikey: LSTKNZAMFRGXCG-WLHGVMLRSA-M
norman_susdat_id: NS00086862
smiles: C[NH+](C)CCCOC1(Cc2ccccc2)CCCCCC1.[O-]C(=O)\C=C\C(=O)[O-]
inchi:
InChI=1/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1


name: 1-[2,5-dimethyl-4-(2,5-dimethylphenylazo)phenylazo]-2-naphthol
cas: 14288-70-1
chebiid: CHEBI:88213
formula: C26H24N4O
inchikey: NPGIHFRTRXVWOY-UHFFFAOYSA-N
norman_susdat_id: NS00054789
pubchem_cid: 2724054
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC(=C(N=NC4=CC(=CC=C4C)C)C=C3C)C
inchi:
InChI=1/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3


name: Ilomastat
cas: 142880-36-2
chebiid: CHEBI:137236
dtxsid: DTXSID0046353
formula: C20H28N4O4
inchikey: NITYDPDXAAFEIT-DYVFJYSZSA-N
norman_susdat_id: NS00069181
pubchem_cid: 132519
smiles: CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C
inchi:
InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1


name: Diproleandomycin
cas: 14289-25-9
chemspiderid: 16736947
formula: C41H69N1O14
inchikey: HYQJLIGADHPYIR-DRZFIUGDSA-N
norman_susdat_id: NS00011690
pubchem_cid: 20055476
inchi:
InChI=1S/C41H69NO14/c1-14-30(43)53-35-22(5)26(9)52-39(47)25(8)36(55-32-17-29(48-13)37(27(10)51-32)54-31(44)15-2)23(6)34(20(3)18-41(19-49-41)38(46)24(35)7)56-40-33(45)28(42(11)12)16-21(4)50-40/h20-29,32-37,40,45H,14-19H2,1-13H3/t20-,21+,22-,23+,24+,25+,26+,27-,28-,29-,32-,33+,34-,35-,36-,37-,40-,41-/m0/s1

smiles:
CCC(=O)O[C@H]1[C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@H](C[C@]2(CO2)C(=O)[C@@H]1C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)CC)OC)C)C)C


name: Cinidon-ethyl
cas: 142891-20-1
chebiid: CHEBI:63927
chemspiderid: 4722745
dtxsid: DTXSID1036753
formula: C19H17Cl2NO4
inchikey: NNKKTZOEKDFTBU-YBEGLDIGSA-N
norman_susdat_id: NS00098680
pubchem_cid: 5851439
smiles: CCOC(=O)/C(=C/c1cc(ccc1Cl)N2C(=O)C3=C(C2=O)CCCC3)/Cl
inchi:
InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-


name: 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride
cas: 1429-30-7
dtxsid: DTXSID90931677
formula: C16H13O7
inchikey: CDHVFLGYVBPCNU-UHFFFAOYSA-M
norman_susdat_id: NS00043984
pubchem_cid: 441774
smiles: [Cl-].OC=1C=C(O)C=2C=C(O)C(=[O+]C2C1)C=3C=C(O)C(O)=C(OC)C3
inchi:
InChI=1/C16H12O7.ClH/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16;/h2-6H,1H3,(H4-,17,18,19,20,21);1H


name: (R)-1-(hydroxymethyl)ethane-1,2-diyl distearate
cas: 1429-59-0
chebiid: CHEBI:77395
formula: C39H76O5
inchikey: UHUSDOQQWJGJQS-DIPNUNPCSA-N
norman_susdat_id: NS00081041
smiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3


name: Xipamide
cas: 14293-44-8
chebiid: CHEBI:135499
chemspiderid: 24795
dtxsid: DTXSID5023744
formula: C15H15Cl1N2O4S1
inchikey: MTZBBNMLMNBNJL-UHFFFAOYSA-N
norman_susdat_id: NS00008537
pubchem_cid: 26618
smiles: Cc1cccc(C)c1NC(=O)c1cc(c(Cl)cc1O)S(N)(=O)=O
inchi:
InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22)


name: C.I. Pigment Red 88
cas: 14295-43-3
chemspiderid: 2299461
dtxsid: DTXSID2051718
formula: C16H4Cl4O2S2
inchikey: KZFMOINJHMONLW-FOCLMDBBSA-N
norman_susdat_id: NS00019778
pubchem_cid: 13643300
smiles: Clc1ccc(Cl)c2c1S/C(=C/1Sc3c(Cl)ccc(Cl)c3C1=O)/C2=O
inchi:
InChI=1S/C16H4Cl4O2S2/c17-5-1-3-7(19)13-9(5)11(21)15(23-13)16-12(22)10-6(18)2-4-8(20)14(10)24-16/h1-4H/b16-15-


name: 1-[(6-methylbenzothiazol-2-yl)azo]-2-naphthol
cas: 14295-46-6
formula: C18H13N3OS
inchikey: YBEKDJHRAMRTGE-UHFFFAOYSA-N
norman_susdat_id: NS00054837
pubchem_cid: 84331
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=NC=4C=CC(=CC4S3)C
inchi:
InChI=1/C18H13N3OS/c1-11-6-8-14-16(10-11)23-18(19-14)21-20-17-13-5-3-2-4-12(13)7-9-15(17)22/h2-10,22H,1H3


name: 1H-Pyrazole, 3-(4-chlorophenyl)-4,5-dihydro-1-[4-(methylsulfonyl)phenyl]-
cas: 14295-72-8
chemspiderid: 76075
dtxsid: DTXSID3065746
formula: C16H15Cl1N2O2S1
inchikey: PEQYZILRIJSUBO-UHFFFAOYSA-N
norman_susdat_id: NS00024647
pubchem_cid: 84333
smiles: CS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C16H15ClN2O2S/c1-22(20,21)15-8-6-14(7-9-15)19-11-10-16(18-19)12-2-4-13(17)5-3-12/h2-9H,10-11H2,1H3


name: Benzylmorphine
cas: 14297-87-1
chemspiderid: 4515062
dtxsid: DTXSID30162246
formula: C24H25N1O3
inchikey: RDJGWRFTDZZXSM-RNWLQCGYSA-N
norman_susdat_id: NS00024648
pubchem_cid: 5362507
smiles: CN1CC[C@]23[C@H]4Oc5c(OCc6ccccc6)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35
inchi:
InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3/t17-,18+,19-,23-,24-/m0/s1


name: Bis(2-hydroxyethyl)ammonium decyl sulphate
cas: 143-00-0
formula: C12H26O4S.C4H11NO2
inchikey: HOWCFKIBHGUVKK-UHFFFAOYSA-N
norman_susdat_id: NS00079249
smiles: CCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C10H22O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H,11,12,13);5-7H,1-4H2


name: Potassium oleate
cas: 143-18-0
formula: C18H34O2.K
inchikey: MLICVSDCCDDWMD-KVVVOXFISA-M
norman_susdat_id: NS00079443
smiles: [K+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: Sodium oleate
cas: 143-19-1
chebiid: CHEBI:81860
formula: C18H34O2.Na
inchikey: BCKXLBQYZLBQEK-KVVVOXFISA-M
norman_susdat_id: NS00079444
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1


name: Kepone
cas: 143-50-0
chebiid: CHEBI:16548
chemspiderid: 293
dtxsid: DTXSID1020770
formula: C10Cl10O1
inchikey: LHHGDZSESBACKH-UHFFFAOYNA-N
norman_susdat_id: NS00021657
pubchem_cid: NA
smiles: ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
eea_notation: CAS_143-50-0
inchi:
InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5+,6+,7-,8+,9-


name: Metopon
cas: 143-52-2
chebiid: CHEBI:135267
dtxsid: DTXSID20162275
formula: C18H21NO3
inchikey: NPZXCTIHHUUEEJ-CMKMFDCUSA-N
norman_susdat_id: NS00067959
smiles: CN1CC[C@@]23[C@H]4CCC(=O)[C@]2(C)OC2=C(O)C=CC(C[C@@H]14)=C32
inchi:
InChI=1S/C18H21NO3/c1-17-14(21)6-4-11-12-9-10-3-5-13(20)16(22-17)15(10)18(11,17)7-8-19(12)2/h3,5,11-12,20H,4,6-9H2,1-2H3/t11-,12+,17-,18-/m0/s1


name: Protoveratrine A
cas: 143-57-7
chebiid: CHEBI:8594
chemspiderid: 8589
formula: C41H63N1O14
inchikey: HYTGGNIMZXFORS-MGYKWWNKSA-N
norman_susdat_id: NS00008506
pubchem_cid: 8931
inchi:
InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1

smiles:
CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]2C[C@@]34O[C@@]5(O)[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3[C@]12O)[C@]4(C)CC[C@@H]5OC(=O)[C@@](C)(O)CC


name: Digitoxigenin
cas: 143-62-4
chebiid: CHEBI:42219
chemspiderid: 3571902
dtxsid: DTXSID80162276
formula: C23H34O4
inchikey: XZTUSOXSLKTKJQ-CESUGQOBSA-N
norman_susdat_id: NS00009205
pubchem_cid: 4369270
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
inchi:
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1


name: Sodium tetraphenylborate
cas: 143-66-8
formula: C24H20B.Na
inchikey: HFSRCEJMTLMDLI-UHFFFAOYSA-N
norman_susdat_id: NS00079060
smiles: [Na+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20B.Na/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1


name: Vinblastine sulphate
cas: 143-67-9
chebiid: CHEBI:9984
formula: C46H58N4O9.H2O4S
inchikey: KDQAABAKXDWYSZ-JKDPCDLQSA-N
norman_susdat_id: NS00079061
inchi:
InChI=1/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)

smiles:
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(=O)C)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.OS(=O)(=O)O


name: (5a,6ß)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol
cas: 143-70-4
formula: C17H19NO3
inchikey: BQJCRHHNABKAKU-NOSXKOESSA-N
norman_susdat_id: NS00079250
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@H]4O)c35
inchi:
InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3


name: Hydrocodone bitartrate
cas: 143-71-5
dtxsid: DTXSID40162277
formula: C22H27NO9
inchikey: OJHZNMVJJKMFGX-BWCYBWMMSA-N
norman_susdat_id: NS00076286
smiles: O[C@H]([C@@H](O)C(O)=O)C(O)=O.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@H](C4)[C@]1([H])CCC2=O
inchi:
InChI=1S/C18H21NO3.C4H6O6/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;5-1(3(7)8)2(6)4(9)10/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,17-,18-;1-,2-/m01/s1


name: Phenol red
cas: 143-74-8
chebiid: CHEBI:31991
chemspiderid: 4602
dtxsid: DTXSID8022408
formula: C19H14O5S1
inchikey: BELBBZDIHDAJOR-UHFFFAOYSA-N
norman_susdat_id: NS00019704
pubchem_cid: 4766
smiles: Oc1ccc(cc1)C1(OS(=O)(=O)c2c1cccc2)c1ccc(O)cc1
inchi:
InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H


name: Calcium bis[5-(1-cyclohexen-1-yl)-5-ethylbarbiturate]
cas: 143-76-0
formula: C12H16N2O3.1/2Ca
inchikey: LQOCSNZFBLPUID-UHFFFAOYSA-L
norman_susdat_id: NS00079258
smiles: [Ca+2].CCC1(C(=O)NC(=NC1=O)[O-])C2=CCCCC2.CCC3(C(=O)NC(=NC3=O)[O-])C4=CCCCC4
inchi:
InChI=1/2C12H16N2O3.Ca/c2*1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h2*6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;;+2/p-2


name: Sodium 5-(sec-butyl)-5-ethylbarbiturate
cas: 143-81-7
chebiid: CHEBI:3229
formula: C10H16N2O3.Na
inchikey: QORQZMBCPRBCAB-UHFFFAOYSA-M
norman_susdat_id: NS00079446
smiles: [Na+].CCC(C)C1(CC)C(=O)NC(=NC1=O)[O-]
inchi:
InChI=1/C10H16N2O3.Na/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14;/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15);/q;+1/p-1


name: (6-methoxy-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate (Palerol)
cas: 143-92-0
chemspiderid: 64568
formula: C24H30N1O4
inchikey: UOGRTPHUCQXAJU-UHFFFAOYSA-N
norman_susdat_id: NS00001383
pubchem_cid: 71492
smiles: COC1CC2CC(CC1[N+]2(C)C)OC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H30NO4/c1-25(2)19-14-20(16-21(25)22(15-19)28-3)29-23(26)24(27,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-22,27H,14-16H2,1-3H3/q+1


cas: 14302-13-7
dtxsid: DTXSID3025912
formula: C32Br6Cl10CuN8
inchikey: JRJLLXQDXANQEC-UHFFFAOYSA-N
norman_susdat_id: NS00074406
name:
[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]copper

inchi:
InChI=1S/C32Br6Cl10N8.Cu/c33-9-1-4(15(39)12(36)20(9)44)28-49-25(1)53-31-7-8(18(42)23(47)14(38)17(7)41)32(56-31)54-26-2-5(16(40)13(37)21(45)10(2)34)29(50-26)55-30-6-3(27(51-28)52-30)11(35)22(46)24(48)19(6)43;/q-2;+2

smiles:
ClC1=C(Cl)C(Cl)=C(Br)C2=C1C1=NC3=C4C(=C5N=C6/N=C(/N=C7N([Cu]N35)C(=N/C2=N1)C1=C7C(Br)=C(Cl)C(Br)=C1Cl)C1=C6C(Cl)=C(Cl)C(Br)=C1Cl)C(Br)=C(Cl)C(Br)=C4Cl


name: Myo-Inositol, hexakis(dihydrogen phosphate), sodium salt
cas: 14306-25-3
formula: C6H18O24P6.xNa
inchikey: AXZYGIPYNXQTON-UHFFFAOYSA-M
norman_susdat_id: NS00087306
smiles: OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O[Na])C(OP(=O)(O)O)C1OP(=O)(O)O
inchi:
InChI=1/C6H18O24P6.Na/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/rC6H17NaO24P6/c7-31-37(23,24)30-6-4(28-35(17,18)19)2(26-33(11,12)13)1(25-32(8,9)10)3(27-34(14,15)16)5(6)29-36(20,21)22/h1-6H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)


name: SDB-005
cas: 1430634-87-9
chemspiderid: 32055563
dtxsid: DTXSID601010032
formula: C20H22N2O1
inchikey: SPUQBSMPSCYQLS-UHFFFAOYSA-N
norman_susdat_id: NS00017557
pubchem_cid: 91936885
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC3=CC=CC=C3
inchi:
InChI=1S/C20H22N2O/c1-2-3-9-14-22-15-18(17-12-7-8-13-19(17)22)20(23)21-16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3,(H,21,23)


name: 4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid
cas: 14307-84-7
dtxsid: DTXSID40153201
formula: C17H12O6
inchikey: ZSKDVJYWOHBGNI-UHFFFAOYSA-N
norman_susdat_id: NS00097118
smiles: C1=CC(=C(C=C1C2=C3C=C(C(=CC3=CC(=C2)C(=O)O)O)O)O)O
inchi:
InChI=1S/C17H12O6/c18-13-2-1-8(5-14(13)19)11-4-10(17(22)23)3-9-6-15(20)16(21)7-12(9)11/h1-7,18-21H,(H,22,23)


name: N,N'-(dithiodiethylene)bis[3-aminopropionamide] dihydrochloride
cas: 14307-88-1
formula: C10H22N4O2S2.2ClH
inchikey: DSBJWROVTYSFGC-UHFFFAOYSA-N
norman_susdat_id: NS00087274
smiles: Cl.Cl.NCCC(=O)NCCSSCCNC(=O)CCN
inchi:
InChI=1/C10H22N4O2S2.2ClH/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12;;/h1-8,11-12H2,(H,13,15)(H,14,16);2*1H


name: anakinra
cas: 143090-92-0
chemspiderid: 52563851
formula: C20H23N5O7S2
inchikey: HMLGSIZOMSVISS-UHFFFAOYSA-N
norman_susdat_id: NS00006607
pubchem_cid: NA
smiles: CC(C)(C)C(=O)OCON=C(C(=O)NC1C2SCC(C=C)=C(N2C1=O)C(O)=O)c1csc(N)n1
inchi:
InChI=1S/C20H23N5O7S2/c1-5-9-6-33-16-12(15(27)25(16)13(9)17(28)29)23-14(26)11(10-7-34-19(21)22-10)24-32-8-31-18(30)20(2,3)4/h5,7,12,16H,1,6,8H2,2-4H3,(H2,21,22)(H,23,26)(H,28,29)


name: 3-(Tridecafluorohexyl)pyridin-4-amine
cas: 143094-26-2
dtxsid: DTXSID20566779
formula: C11H5F13N2
inchikey: FYNRUUHZYNMDNP-UHFFFAOYSA-N
norman_susdat_id: NS00109534
smiles: NC1=C(C=NC=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H5F13N2/c12-6(13,4-3-26-2-1-5(4)25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-3H,(H2,25,26)


cas: 1431-54-5
formula: C33H32N6O9
inchikey: XHLFUMPVVXAFKO-UHFFFAOYSA-N
norman_susdat_id: NS00044652
pubchem_cid: 74027
smiles: O=C=NC1=CC(=CC=C1C)NC(=O)OCC(COC(=O)NC2=CC=C(C(N=C=O)=C2)C)(COC(=O)NC3=CC=C(C(N=C=O)=C3)C)CC
name:
2-ethyl-2-[[[[(3-isocyanato-4-methylphenyl)amino]carbonyl]oxy]methyl]propylene (3-isocyanato-4-methylphenyl)carbamate

inchi:
InChI=1/C33H32N6O9/c1-5-33(15-46-30(43)37-24-9-6-21(2)27(12-24)34-18-40,16-47-31(44)38-25-10-7-22(3)28(13-25)35-19-41)17-48-32(45)39-26-11-8-23(4)29(14-26)36-20-42/h6-14H,5,15-17H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)


name: Buxamine E
cas: 14317-17-0
chebiid: CHEBI:3249
chemspiderid: 391273
dtxsid: DTXSID50332025
formula: C26H44N2
inchikey: UVGUDMTZIJXYDY-XSWJKVCQSA-N
norman_susdat_id: NS00094734
pubchem_cid: 442970
smiles: C[C@H](N)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(CC[C@H](N(C)C)C4(C)C)=CC3=CC[C@]12C
inchi:
InChI=1S/C26H44N2/c1-17(27)20-13-15-26(5)22-10-9-21-18(16-19(22)12-14-25(20,26)4)8-11-23(28(6)7)24(21,2)3/h12,16-17,20-23H,8-11,13-15,27H2,1-7H3/t17-,20+,21+,22+,23-,25+,26-/m0/s1


name: S-1,3-Benzothiazol-2-yl (2-amino-1,3-thiazol-4-yl)[(triphenylmethoxy)imino]ethanethioate
cas: 143183-03-3
chemspiderid: 9906235
dtxsid: DTXSID10694055
formula: C31H22N4O2S3
inchikey: UYVFYQGIARQHJC-UHFFFAOYSA-N
norman_susdat_id: NS00007591
pubchem_cid: 53394905
smiles: Nc1nc(cs1)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Sc1nc2ccccc2s1
inchi:
InChI=1S/C31H22N4O2S3/c32-29-33-25(20-38-29)27(28(36)40-30-34-24-18-10-11-19-26(24)39-30)35-37-31(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H,(H2,32,33)


name: adhyperforin
cas: 143183-63-5
chemspiderid: 59006794
dtxsid: DTXSID70433341
formula: C36H54O4
inchikey: MGKCAFQXBAFOSW-UHFFFAOYSA-N
norman_susdat_id: NS00094786
pubchem_cid: 44427225
smiles: CCC(C)C(=O)C12C(=O)C(CC=C(C)C)=C(O)C(CC=C(C)C)(CC(CC=C(C)C)C1(C)CCC=C(C)C)C2=O
inchi:
InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,38H,12-13,17-18,20-22H2,1-11H3


cas: 1431838-83-3
dtxsid: DTXSID00882686
norman_susdat_id: NS00108896
name:
Tetrafluoroethylene, polymer with ethene, 1,1-difluoro-, ethene, trifluoro(trifluoromethoxy)-, propane, 1,1,2,2,3,3-hexafluoro-1-(trifluoroethenyl)oxy-3-(trifluorom ethoxy)-, and 1-butene, 4-bromo-3,3,4,4-tetrafluoro-


name: Bis(2-hydroxyethyl)ammonium 2-(4-chloro-2-methylphenoxy)propionate
cas: 1432-14-0
formula: C10H11ClO3.C4H11NO2
inchikey: CGFQAAGKJZMVNF-UHFFFAOYSA-N
norman_susdat_id: NS00081042
smiles: CC(Oc1ccc(Cl)cc1C)C(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C10H11ClO3.C4H11NO2/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;6-3-1-5-2-4-7/h3-5,7H,1-2H3,(H,12,13);5-7H,1-4H2


cas: 14320-04-8
chemspiderid: NA
formula: C32H22N8
inchikey: WWAHFHFLCAILEI-UHFFFAOYSA-N
norman_susdat_id: NS00001337
pubchem_cid: 136116278
smiles: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)NC6=C7C=CC=CC7=C(N6)NC8=C9C=CC=CC9=C(N8)N=C2N3
name:
2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4,6,8,10,12,14,16,18,21,23,25,27,30,32,34-heptadecaene

inchi:
InChI=1S/C32H16N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H


name: Telinavir
cas: 143224-34-4
dtxsid: DTXSID90869926
formula: C33H44N6O5
inchikey: ZILOOGIOHVCEKS-HZFUHODCSA-N
norman_susdat_id: NS00069562
pubchem_cid: 382974
smiles: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C
inchi:
InChI=1S/C33H44N6O5/c1-21(2)19-39(32(44)38-33(3,4)5)20-28(40)26(17-22-11-7-6-8-12-22)36-31(43)27(18-29(34)41)37-30(42)25-16-15-23-13-9-10-14-24(23)35-25/h6-16,21,26-28,40H,17-20H2,1-5H3,(H2,34,41)(H,36,43)(H,37,42)(H,38,44)/t26-,27-,28+/m0/s1


name: Benzeneacetic acid, 2-[(6-chloro-4-pyrimidinyl)oxy]-a-(dimethoxymethyl)-, methyl ester
cas: 143230-42-6
chemspiderid: 9188800
formula: C16H17Cl1N2O5
inchikey: UCUILAKBJKOVIQ-UHFFFAOYSA-N
norman_susdat_id: NS00005599
pubchem_cid: 11013615
smiles: COC(OC)C(C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1
inchi:
InChI=1S/C16H17ClN2O5/c1-21-15(20)14(16(22-2)23-3)10-6-4-5-7-11(10)24-13-8-12(17)18-9-19-13/h4-9,14,16H,1-3H3


name: Methyl N5-(aminocarbonyl)-N2-benzoyl-L-ornithine
cas: 14325-36-1
dtxsid: DTXSID30931792
formula: C14H19N3O4
inchikey: ARLRYYLMUJSMGC-UHFFFAOYSA-N
norman_susdat_id: NS00054404
pubchem_cid: 14560742
smiles: O=C(N)NCCCC(NC(=O)C=1C=CC=CC1)C(=O)OC
inchi:
InChI=1/C14H19N3O4/c1-21-13(19)11(8-5-9-16-14(15)20)17-12(18)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3,(H,17,18)(H3,15,16,20)


name: Lerisetron
cas: 143257-98-1
dtxsid: DTXSID90162368
formula: C18H20N4
inchikey: PWWDCRQZITYKDV-UHFFFAOYSA-N
norman_susdat_id: NS00068138
pubchem_cid: 65997
smiles: c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1
inchi:
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2


name: Benzoic acid, 3-amino-4-chloro-, hexadecyl ester
cas: 143269-74-3
chemspiderid: 3597383
dtxsid: DTXSID30888979
formula: C23H38Cl1N1O2
inchikey: WZPMUDCUMKEHSE-UHFFFAOYSA-N
norman_susdat_id: NS00008623
pubchem_cid: 4395990
smiles: CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1
inchi:
InChI=1S/C23H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20/h16-17,19H,2-15,18,25H2,1H3


name: 1-(5-Fluoropentyl)-1H-indole-3-carboxylic acid
cas: 1432794-98-3
chemspiderid: 29341630
formula: C14H16F1N1O2
inchikey: DYLIZXRQZRUDLA-UHFFFAOYSA-N
norman_susdat_id: NS00017245
pubchem_cid: 86346291
smiles: C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)O
inchi:
InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)


name: Magnesium phosphonate(1:1)
cas: 14332-25-3
formula: H3O3P.Mg
inchikey: HFVXVDOWERYFEL-UHFFFAOYSA-L
norman_susdat_id: NS00087289
smiles: [MgH2].[O-]P(=O)[O-]
inchi:
InChI=1/Mg.H3O3P.2H/c;1-4(2)3;;/h;4H,(H2,1,2,3);;/q+2;;;/p-2/rH2Mg.H3O3P/c;1-4(2)3/h1H2;4H,(H2,1,2,3)/q+2;/p-2


name: (R)-5-bromo-3-(1-methyl-2-pyrrolidinyl methyl)-1H-indole
cas: 143322-57-0
chemspiderid: 11360186
formula: C14H17Br1N2
inchikey: JCXOJXALBTZEFE-UHFFFAOYSA-N
norman_susdat_id: NS00008945
pubchem_cid: 15521562
smiles: CN1CCCC1Cc1c[nH]c2ccc(Br)cc12
inchi:
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3


name: Eletriptan
cas: 143322-58-1
chebiid: CHEBI:50922
chemspiderid: 70379
dtxsid: DTXSID9046861
formula: C22H26N2O2S1
inchikey: PWVXXGRKLHYWKM-LJQANCHMSA-N
norman_susdat_id: NS00002572
pubchem_cid: 77993
smiles: CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
inchi:
InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1


name: Pramiverine
cas: 14334-40-8
chebiid: CHEBI:135226
chemspiderid: 64735
dtxsid: DTXSID00162394
formula: C21H27N1
inchikey: SBEOBYJLAQKTQX-UHFFFAOYSA-N
norman_susdat_id: NS00002386
pubchem_cid: 71681
smiles: CC(C)NC1CCC(CC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H27N/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,22H,13-16H2,1-2H3


name: 4,4-diphenylcyclohexyl(isopropyl)ammonium chloride
cas: 14334-41-9
formula: C21H27N.ClH
inchikey: BMBNXHMQMNPCIV-UHFFFAOYSA-N
norman_susdat_id: NS00087314
smiles: [Cl-].CC(C)[NH2+]C1CCC(CC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H27N.ClH/c1-17(2)22-20-13-15-21(16-14-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-12,17,20,22H,13-16H2,1-2H3;1H


name: Perfluoro-N,N,N',N'-tetrakis(heptafluoropropyl)-1,6-hexanediamine
cas: 143356-32-5
dtxsid: DTXSID50893348
formula: C18F40N2
inchikey: AAPHNZCZOSOYTI-UHFFFAOYSA-N
norman_susdat_id: NS00110679
inchi:
InChI=1S/C18F40N2/c19-1(20,3(23,24)13(47,48)59(15(51,52)5(27,28)9(35,36)37)16(53,54)6(29,30)10(38,39)40)2(21,22)4(25,26)14(49,50)60(17(55,56)7(31,32)11(41,42)43)18(57,58)8(33,34)12(44,45)46

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


name: 5-diethylamino-2-(5-bromo-2-pyridylazo)phenol
cas: 14337-53-2
formula: C15H17BrN4O
inchikey: HNVCXDAVEHOIBP-UHFFFAOYSA-N
norman_susdat_id: NS00055369
pubchem_cid: 339622
smiles: BrC1=CN=C(N=NC2=CC=C(C=C2O)N(CC)CC)C=C1
inchi:
InChI=1/C15H17BrN4O/c1-3-20(4-2)12-6-7-13(14(21)9-12)18-19-15-8-5-11(16)10-17-15/h5-10,21H,3-4H2,1-2H3


cas: 143372-54-7
dtxsid: DTXSID70106588
norman_susdat_id: NS00111199
name:
Siloxanes and Silicones, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)oxy Me, hydroxy Me, Me octyl, ethers with polyethylene glycol mono-Me ether


name: Kresoxim-methyl
cas: 143390-89-0
chebiid: CHEBI:2962
chemspiderid: 4813314
dtxsid: DTXSID2032558
formula: C18H19N1O4
inchikey: ZOTBXTZVPHCKPN-HTXNQAPBSA-N
norman_susdat_id: NS00008540
pubchem_cid: 6112114
smiles: CON=C(C(=O)OC)c1ccccc1COc1ccccc1C
eea_notation: CAS_143390-89-0
inchi:
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+


name: 5<U+03BE>,17a-pregn-2-en-20-yn-17-yl acetate
cas: 14340-08-0
formula: C23H32O2
inchikey: SQRBBVVZRKZEPF-UHFFFAOYSA-N
norman_susdat_id: NS00054021
pubchem_cid: 85714
smiles: O=C(OC1(C#C)CCC2C3CCC4CC=CCC4(C)C3CCC21C)C
inchi:
InChI=1/C23H32O2/c1-5-23(25-16(2)24)15-12-20-18-10-9-17-8-6-7-13-21(17,3)19(18)11-14-22(20,23)4/h1,6-7,17-20H,8-15H2,2-4H3


name: Calcium anthranilate (1:2)
cas: 14342-65-5
formula: C7H7NO2.1/2Ca
inchikey: MAMYLGSTUMNCJU-UHFFFAOYSA-L
norman_susdat_id: NS00087315
smiles: [CaH2].Nc1ccccc1C(=O)[O-].Nc2ccccc2C(=O)[O-]
inchi:
InChI=1/2C7H7NO2.Ca.2H/c2*8-6-4-2-1-3-5(6)7(9)10;;;/h2*1-4H,8H2,(H,9,10);;;/q;;+2;;/p-2/r2C7H7NO2.CaH2/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4H,8H2,(H,9,10);1H2/q;;+2/p-2


name: Ifetroban
cas: 143443-90-7
dtxsid: DTXSID40869931
formula: C25H32N2O5
inchikey: BBPRUNPUJIUXSE-DXKRWKNPSA-N
norman_susdat_id: NS00069206
pubchem_cid: 3037233
smiles: CCCCCNC(=O)c1coc([C@@H]2[C@H]3CC[C@H](O3)[C@@H]2Cc2ccccc2CCC(=O)O)n1
inchi:
InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21+,23-/m0/s1


name: 5-(Perfluoropropyl)-2,2-dimethyl-3,5-pentanedione barium(2+) hydrate (2:1:1)
cas: 143457-82-3
dtxsid: DTXSID10896971
formula: C20H24BaF14O5
inchikey: YRMJFUWKGIHZHN-UHFFFAOYSA-N
norman_susdat_id: NS00109455
smiles: O.[Ba++].CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/2C10H11F7O2.Ba.H2O/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;;/h2*4H2,1-3H3;;1H2/q;;+2;


name: 2-c-methyl-d-erythritol 2
cas: 143488-44-2
chebiid: CHEBI:18425
dtxsid: DTXSID10931210
formula: C5H12O9P2
inchikey: SFRQRNJMIIUYDI-UHNVWZDZSA-N
norman_susdat_id: NS00070432
pubchem_cid: 126747
smiles: C[C@@]1(CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]1O
inchi:
InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1


name: Emtricitabine
cas: 143491-57-0
chebiid: CHEBI:31536
chemspiderid: 54859
dtxsid: DTXSID0040129
formula: C8H10F1N3O3S1
inchikey: XQSPYNMVSIKCOC-NTSWFWBYSA-N
norman_susdat_id: NS00000522
pubchem_cid: 60877
smiles: FC=1C(=N/C(=O)N(C=1)[C@H]2O[C@H](SC2)CO)N
inchi:
InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1


name: Hydroquinidine
cas: 1435-55-8
formula: C20H26N2O2
inchikey: LJOQGZACKSYWCH-LHHVKLHASA-N
norman_susdat_id: NS00080711
smiles: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34
inchi:
InChI=1/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3


name: 3-ethyl-2-[3-(3-ethylthiazolidin-2-ylidene)prop-1-enyl]-4,5-dihydrothiazolium perchlorate
cas: 14350-47-1
formula: C13H21N2S2.ClO4
inchikey: MILLXVQMIXHQEI-UHFFFAOYSA-M
norman_susdat_id: NS00087019
smiles: CCN2CCSC2=CC=CC=1SCC[N+]=1CC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C13H21N2S2.ClHO4/c1-3-14-8-10-16-12(14)6-5-7-13-15(4-2)9-11-17-13;2-1(3,4)5/h5-7H,3-4,8-11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1


name: Sodium (9-isopropoxy-9-oxononyl)nonyl sulphate
cas: 14350-72-2
dtxsid: DTXSID70931913
formula: C21H42O6S
inchikey: URDAUWSOXDPZGL-UHFFFAOYSA-M
norman_susdat_id: NS00055391
pubchem_cid: 107044
smiles: [Na+].O=C(OC(C)C)CCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC
inchi:
InChI=1/C21H42O6S.Na/c1-4-5-6-7-10-13-16-20(27-28(23,24)25)17-14-11-8-9-12-15-18-21(22)26-19(2)3;/h19-20H,4-18H2,1-3H3,(H,23,24,25);/q;+1/p-1


name: SODIUM CAPROAM- PHOACETATE
cas: 14350-94-8
chemspiderid: 76108
formula: C16H31N2O3
inchikey: AGBLGIGWXYIHIW-UHFFFAOYSA-O
norman_susdat_id: NS00014046
pubchem_cid: 84370
smiles: [OH-].[Na+].CCCCCCCCCC1=NCC[N+]1(CCO)CC([O-])=O
inchi:
InChI=1S/C16H30N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;;/h19H,2-14H2,1H3;;1H2/q;+1;/p-1


name: Disodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium hydroxide
cas: 14350-96-0
formula: C18H35N2O3.HO.2Na
inchikey: QCZNHFFVLBFHMW-UHFFFAOYSA-N
norman_susdat_id: NS00087316
smiles: [OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
inchi:
InChI=1/C18H34N2O3.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23;;;/h21H,2-16H2,1H3;;;1H2/q;2*+1;


name: Disodium lauroamphodiacetate
cas: 14350-97-1
chemspiderid: 29542
dtxsid: DTXSID40893251
formula: C20H37N2O5
inchikey: YHBPDUQBTBEAFP-UHFFFAOYSA-O
norman_susdat_id: NS00013621
pubchem_cid: 31857
smiles: [OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C20H36N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-18-21-12-13-22(18,16-19(23)24)14-15-27-17-20(25)26;;;/h2-17H2,1H3,(H-,23,24,25,26);;;1H2/q;2*+1;/p-2


cas: 14350-98-2
formula: C25H51N2O5S
inchikey: FKHUODNVGOLIJR-UHFFFAOYSA-M
norman_susdat_id: NS00054452
pubchem_cid: 84373
smiles: [Na+].[OH-].O=S(=O)([O-])CC(O)C[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)CCO
name:
Sodium 2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-1H-imidazolium hydroxide

inchi:
InChI=1/C25H50N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26-18-19-27(25,20-21-28)22-24(29)23-33(30,31)32;;/h24,28-29H,2-23H2,1H3;;1H2/q;+1;/p-1


name: Dammarenediol-I
cas: 14351-28-1
chebiid: CHEBI:4313
dtxsid: DTXSID80331607
formula: C30H52O2
inchikey: NLHQJXWYMZLQJY-AYHBXSNGSA-N
norman_susdat_id: NS00069815
pubchem_cid: 441675
smiles: CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
inchi:
InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1


name: Ls-71251
cas: 14351-29-2
chebiid: CHEBI:62416
formula: C30H52O2
inchikey: NLHQJXWYMZLQJY-TXNIMPHESA-N
norman_susdat_id: NS00069956
pubchem_cid: 10895555
smiles: CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C
inchi:
InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1


name: 2-((1-Oxooctadecyl)amino)ethyl octadecanoate
cas: 14351-40-7
chemspiderid: 76115
dtxsid: DTXSID1051721
formula: C38H75N1O3
inchikey: ZAYHEMRDHPVMSC-UHFFFAOYSA-N
norman_susdat_id: NS00014105
pubchem_cid: 84377
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(40)39-35-36-42-38(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,39,40)


name: Dimethyl[(9Z)-octadec-9-en-1-yl]amine oxide
cas: 14351-50-9
chemspiderid: 4940537
dtxsid: DTXSID6051722
formula: C20H41N1O1
inchikey: QCTZUSWOKFCWNB-QXMHVHEDSA-N
norman_susdat_id: NS00013920
pubchem_cid: 6435847
smiles: CCCCCCCCC=C/CCCCCCCC[N+](C)(C)[O-]
inchi:
InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3/b12-11-


name: Sodium (Z)-N-methyl-N-(1-oxo-9-octadecenyl)aminoacetate
cas: 14351-62-3
formula: C21H39NO3.Na
inchikey: VLKIFCBXANYYCK-UHFFFAOYSA-M
norman_susdat_id: NS00087331
smiles: CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(=O)O[Na]
inchi:
InChI=1/C21H39NO3.Na/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;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1


name: Sodium abietate
cas: 14351-66-7
formula: C20H30O2.Na
inchikey: ITCAUAYQCALGGV-XTICBAGASA-M
norman_susdat_id: NS00087021
smiles: [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1
inchi:
InChI=1/C20H30O2.Na/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1


name: Cylindrospermopsin
cas: 143545-90-8
chebiid: CHEBI:88049
dtxsid: DTXSID2031083
formula: C15H21N5O7S
inchikey: LHJPHMKIGRLKDR-YUQKHPEDSA-N
norman_susdat_id: NS00075404
smiles: C[C@@H]1[C@H]2C[NH+]=C3N[C@H](C[C@@H](C[C@@H]1OS([O-])(=O)=O)N23)[C@H](O)C1=CC(=O)NC(=O)N1
inchi:
InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13+/m1/s1


name: Rocuronium
cas: 143558-00-3
chebiid: CHEBI:8884
chemspiderid: 390053
dtxsid: DTXSID6048339
formula: C32H53N2O4
inchikey: YXRDKMPIGHSVRX-OOJCLDBCSA-N
norman_susdat_id: NS00002832
pubchem_cid: 441290
inchi:
InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1

smiles:
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1


name: Sodium N-octadecyl-ß-alaninate
cas: 14356-62-8
dtxsid: DTXSID20931948
formula: C21H43NO2
inchikey: FCQJBGMBPQLHOJ-UHFFFAOYSA-M
norman_susdat_id: NS00055392
pubchem_cid: 13848430
smiles: [Na+].O=C([O-])CCNCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(23)24;/h22H,2-20H2,1H3,(H,23,24);/q;+1/p-1


name: Dihydroetorphine
cas: 14357-76-7
dtxsid: DTXSID60905082
formula: C25H35NO4
inchikey: BRTSNYPDACNMIP-FAWZKKEFSA-N
norman_susdat_id: NS00068008
smiles: [H][C@@]12OC3=C4C(C[C@H]5N(C)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)CCC)=CC=C3O
inchi:
InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1


name: Diprenorphine
cas: 14357-78-9
chebiid: CHEBI:4650
dtxsid: DTXSID00903941
formula: C26H35NO4
inchikey: OIJXLIIMXHRJJH-KNLIIKEYSA-N
norman_susdat_id: NS00069824
pubchem_cid: 443408
smiles: CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
inchi:
InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1


name: 1,2-dithiolane-3-valeric acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)
cas: 14358-90-8
formula: C8H14O2S2.C4H11NO3
inchikey: CCTREOMTIFSZAU-UHFFFAOYSA-N
norman_susdat_id: NS00087353
smiles: NC(CO)(CO)CO.OC(=O)CCCCC1CCSS1
inchi:
InChI=1/C8H14O2S2.C4H11NO3/c9-8(10)4-2-1-3-7-5-6-11-12-7;5-4(1-6,2-7)3-8/h7H,1-6H2,(H,9,10);6-8H,1-3,5H2


cas: 14359-20-7
dtxsid: DTXSID20864500
formula: C34H26Cl6N6O4
inchikey: HSHHXSNAFDZIAR-UHFFFAOYSA-N
norman_susdat_id: NS00055420
pubchem_cid: 85722
name:
2,2'-[(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-chloro-o-tolyl)-3-oxobutyramide]

inchi:
InChI=1/C34H26Cl6N6O4/c1-15-9-19(35)5-7-27(15)41-33(49)31(17(3)47)45-43-29-13-23(37)21(11-25(29)39)22-12-26(40)30(14-24(22)38)44-46-32(18(4)48)34(50)42-28-8-6-20(36)10-16(28)2/h5-14,31-32H,1-4H3,(H,41,49)(H,42,50)

smiles:
O=C(NC1=CC=C(Cl)C=C1C)C(N=NC=2C=C(Cl)C(=CC2Cl)C=3C=C(Cl)C(N=NC(C(=O)NC4=CC=C(Cl)C=C4C)C(=O)C)=CC3Cl)C(=O)C


name: Phenol, 2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-
cas: 14362-12-0
chemspiderid: 76128
dtxsid: DTXSID6065761
formula: C29H44O2
inchikey: LXWZXEJDKYWBOW-UHFFFAOYSA-N
norman_susdat_id: NS00024665
pubchem_cid: 84391
smiles: CC(C)(C)c1cc(Cc2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)c(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C29H44O2/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12/h14-17,30-31H,13H2,1-12H3


name: Chlorcyclizine hydrochloride
cas: 14362-31-3
formula: C18H21ClN2.ClH
inchikey: MSIJLVMSKDXAQN-UHFFFAOYSA-N
norman_susdat_id: NS00087864
smiles: Cl.CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3
inchi:
InChI=1/C18H21ClN2.ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;/h2-10,18H,11-14H2,1H3;1H


name: Sulfamethoxazole N1-glucuronide
cas: 14365-52-7
chemspiderid: 28573043
formula: C16H19N3O9S1
inchikey: BLFOMTRQSZIMKK-UHFFFAOYSA-N
norman_susdat_id: NS00002071
pubchem_cid: 75213081
smiles: Cc1cc(no1)N(C1OC(C(O)C(O)C1O)C(O)=O)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C16H19N3O9S/c1-7-6-10(18-28-7)19(29(25,26)9-4-2-8(17)3-5-9)15-13(22)11(20)12(21)14(27-15)16(23)24/h2-6,11-15,20-22H,17H2,1H3,(H,23,24)


cas: 143683-23-2
inchikey: KWLBOZNSJDUHSW-UHFFFAOYSA-J
norman_susdat_id: NS00078729
name:
tetrasodium-1,2-bis(4-fluoro-6-[5-(1-amino-2-sulfonatoanthrachinon-4-ylamino)-2,4,6-trimethyl-3-sulfonatophenylamino]-1,3,5-triazin-2-ylamino)ethane

smiles:
CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)F)NCCNC3=NC(=NC(=N3)NC4=C(C(=C(C(=C4C)NC5=CC(=C(C6=C5C(=O)C7=CC=CC=C7C6=O)N)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C)F)C)S(=O)(=O)[O-])C)NC8=CC(=C(C9=C8C(=O)C1=CC=CC=C1C9=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]


cas: 1436861-97-0
formula: C13H21N5O7S
inchikey: YCZPXRQPDCXTIO-BBBLOLIVSA-N
norman_susdat_id: NS00073418
pubchem_cid: 77846445
smiles: O=C(NNC(=O)[C@@H]1CCCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
name:
{7-oxo-2-[(piperidin-3-ylformohydrazido)carbonyl]-1,6-diazabicyclo[3.2.1]octan-6-yl}oxidanesulfonic acid

inchi:
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1


name: 3-{3-(Hexadecyloxy)-2-[3-(hexadecyloxy)-2-hydroxypropoxy]propoxy}propane-1,2-diol
cas: 143747-72-2
chemspiderid: 23345575
dtxsid: DTXSID60700817
formula: C41H84O7
inchikey: FKFHBBZKFODURE-UHFFFAOYSA-N
norman_susdat_id: NS00005571
pubchem_cid: 53435925
smiles: CCCCCCCCCCCCCCCCOCC(O)COC(COCCCCCCCCCCCCCCCC)COCC(O)CO
inchi:
InChI=1S/C41H84O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-45-35-40(44)36-48-41(38-47-34-39(43)33-42)37-46-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44H,3-38H2,1-2H3


name: Abscisic acid
cas: 14375-45-2
chebiid: CHEBI:62426
chemspiderid: 558841
dtxsid: DTXSID1030604
formula: C15H20O4
inchikey: JLIDBLDQVAYHNE-WEYXYWBQSA-N
norman_susdat_id: NS00014679
pubchem_cid: 5375200
smiles: CC1=CC(=O)CC(C1(/C=C/C(=C/C(=O)O)/C)O)(C)C
inchi:
InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+


name: 1-(4-Benzhydrylpiperazino)-3-(phenylthio)propan-2-ol
cas: 143759-85-7
chemspiderid: 2088234
formula: C26H30N2O1S1
inchikey: FRBYSIBLYIDZCW-UHFFFAOYSA-N
norman_susdat_id: NS00018651
pubchem_cid: 2809813
smiles: C1CN(CCN1CC(CSC2=CC=CC=C2)O)C(C3=CC=CC=C3)C4=CC=CC=C4
inchi:
InChI=1S/C26H30N2OS/c29-24(21-30-25-14-8-3-9-15-25)20-27-16-18-28(19-17-27)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,24,26,29H,16-21H2


name: Sulfaloxic acid
cas: 14376-16-0
chebiid: CHEBI:135620
chemspiderid: 59051
dtxsid: DTXSID60162537
formula: C16H15N3O7S1
inchikey: UPCBSVILVWKHIG-UHFFFAOYSA-N
norman_susdat_id: NS00011885
pubchem_cid: 65610
smiles: c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)NC(=O)NCO)C(=O)O
inchi:
InChI=1S/C16H15N3O7S/c20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23/h1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24)


name: Leucine, N-stearoyl-, L-
cas: 14379-43-2
chemspiderid: 176190
dtxsid: DTXSID10162547
formula: C24H47N1O3
inchikey: FTIQEVPFMLQJJT-UHFFFAOYSA-N
norman_susdat_id: NS00014118
pubchem_cid: 22904230
smiles: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O
inchi:
InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)25-22(24(27)28)20-21(2)3/h21-22H,4-20H2,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1


name: N2,N6-bis(1-oxododecyl)-L-lysine
cas: 14379-54-5
dtxsid: DTXSID30932103
formula: C30H58N2O4
inchikey: ZQGOIDUGPJSGNW-MHZLTWQESA-N
norman_susdat_id: NS00054091
pubchem_cid: 21116131
smiles: O=C(NCCCCC(NC(=O)CCCCCCCCCCC)C(=O)O)CCCCCCCCCCC
inchi:
InChI=1/C30H58N2O4/c1-3-5-7-9-11-13-15-17-19-24-28(33)31-26-22-21-23-27(30(35)36)32-29(34)25-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H,31,33)(H,32,34)(H,35,36)


name: N-(1-oxododecyl)-L-serine
cas: 14379-56-7
dtxsid: DTXSID90932104
formula: C15H29NO4
inchikey: XGFQVJQXCLZRFH-ZDUSSCGKSA-N
norman_susdat_id: NS00054092
pubchem_cid: 9835576
smiles: O=C(NC(C(=O)O)CO)CCCCCCCCCCC
inchi:
InChI=1/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-13(12-17)15(19)20/h13,17H,2-12H2,1H3,(H,16,18)(H,19,20)


name: Netropsin
cas: 1438-30-8
chemspiderid: 4306
dtxsid: DTXSID00879834
formula: C18H26N10O3
inchikey: IDBIFFKSXLYUOT-UHFFFAOYSA-N
norman_susdat_id: NS00011813
pubchem_cid: 4461
smiles: [H]/N=C(/CCNC(=O)c1cc(cn1C)NC(=O)c2cc(cn2C)NC(=O)CN=C(N)N)N
inchi:
InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)


name: Chromafenozide
cas: 143807-66-3
chebiid: CHEBI:38450
chemspiderid: 8332992
dtxsid: DTXSID4057976
formula: C24H30N2O3
inchikey: HPNSNYBUADCFDR-UHFFFAOYSA-N
norman_susdat_id: NS00005492
pubchem_cid: 10157484
smiles: Cc1cc(C)cc(c1)C(=O)N(NC(=O)c1ccc2OCCCc2c1C)C(C)(C)C
inchi:
InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)


name: Methyl (3beta,16E,20beta)-9-methoxy-16-(methoxymethylidene)corynan-17-oate
cas: 14382-79-7
dtxsid: DTXSID50574160
formula: C23H30N2O4
inchikey: LELBFTMXCIIKKX-MYLQJJOTSA-N
norman_susdat_id: NS00067990
smiles: CC[C@@H]1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@H]2C[C@@H]1C(=C/OC)C(=O)OC
inchi:
InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1


name: 9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
cas: 1438383-89-1
chemspiderid: 45743513
formula: C19H14Br2O3
inchikey: NVSLOKHCHIFJDR-UHFFFAOYSA-N
norman_susdat_id: NS00001170
pubchem_cid: 86688372
smiles: BrCC(=O)c1ccc-2c(COc3cc4C(=O)C(Br)CCc4cc-23)c1
inchi:
InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2


name: 3-Acetyl-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
cas: 1438383-92-6
chemspiderid: 46201498
formula: C19H16O3
inchikey: HEDVCJIUEKLCCV-UHFFFAOYSA-N
norman_susdat_id: NS00008933
pubchem_cid: 86688375
smiles: CC(=O)c1ccc-2c(COc3cc4C(=O)CCCc4cc-23)c1
inchi:
InChI=1S/C19H16O3/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,2-4,10H2,1H3


name: MJN110
cas: 1438416-21-7
chemspiderid: 34975859
formula: C22H21Cl2N3O4
inchikey: BEADRWVIFHOSGN-UHFFFAOYSA-N
norman_susdat_id: NS00016770
pubchem_cid: 71722059
smiles: C1CC(=O)N(C1=O)OC(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
inchi:
InChI=1S/C22H21Cl2N3O4/c23-17-5-1-15(2-6-17)21(16-3-7-18(24)8-4-16)25-11-13-26(14-12-25)22(30)31-27-19(28)9-10-20(27)29/h1-8,21H,9-14H2


name: Elacridar
cas: 143851-98-3
dtxsid: DTXSID90162489
formula: C34H33N3O5
inchikey: OSFCMRGOZNQUSW-UHFFFAOYSA-N
norman_susdat_id: NS00069563
pubchem_cid: 119373
smiles: COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)cc1)CC2
inchi:
InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)


name: 2-[(6,11-Dihydro-5H-dibenzo[b,e]azepin-6-yl)methyl]-1H-isoindole-1,3(2H)-dione
cas: 143878-20-0
chemspiderid: 8122239
dtxsid: DTXSID20433210
formula: C23H18N2O2
inchikey: XXHUCKUXFLTXAG-UHFFFAOYSA-N
norman_susdat_id: NS00004177
pubchem_cid: 9946627
smiles: O=C1N(CC2Nc3ccccc3Cc3ccccc23)C(=O)c2ccccc12
inchi:
InChI=1S/C23H18N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12,21,24H,13-14H2


cas: 143907-02-2
dtxsid: DTXSID70882911
norman_susdat_id: NS00111340
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.'',.alpha.'''-(oxydi-3,1,2-propanetriyl)tetrakis[.omega.-[(heptadecafluorononenyl)oxy]]-


name: 9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonic acid
cas: 14395-08-5
dtxsid: DTXSID40932174
formula: C14H8O8S2
inchikey: VNIFUVUQZVMDER-UHFFFAOYSA-N
norman_susdat_id: NS00054542
pubchem_cid: 84406
smiles: O=C1C2=CC=C(C=C2C(=O)C=3C1=CC=CC3S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C14H8O8S2/c15-13-8-5-4-7(23(17,18)19)6-10(8)14(16)12-9(13)2-1-3-11(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)


name: Chloramphenicol cinnamate
cas: 14399-14-5
formula: C20H18Cl2N2O6
inchikey: OJIANGJGVFMHSC-BQEJJYMNSA-N
norman_susdat_id: NS00087365
smiles: OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-].OC(=O)\C=C\c2ccccc2
inchi:
InChI=1/C11H12Cl2N2O5.C9H8O2/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20;10-9(11)7-6-8-4-2-1-3-5-8/h1-4,8-10,16-17H,5H2,(H,14,18);1-7H,(H,10,11)


name: Trihexyphenidyl
cas: 144-11-6
chebiid: CHEBI:9720
chemspiderid: 5371
dtxsid: DTXSID4023705
formula: C20H31N1O1
inchikey: HWHLPVGTWGOCJO-UHFFFAOYSA-N
norman_susdat_id: NS00006523
pubchem_cid: 5572
smiles: OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
inchi:
InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2


name: Tiemonium iodide
cas: 144-12-7
chebiid: CHEBI:32224
formula: C18H24NO2S.I
inchikey: IOFXEUZPIIUQAG-UHFFFAOYSA-M
norman_susdat_id: NS00079259
smiles: [I-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1
inchi:
InChI=1/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1


name: 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester
cas: 144-15-0
chemspiderid: 91829
dtxsid: DTXSID80883333
formula: C32H58O8
inchikey: FRDNONBEXWDRDM-UHFFFAOYSA-N
norman_susdat_id: NS00002740
pubchem_cid: 101632
smiles: CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(OC(C)=O)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C32H58O8/c1-8-14-17-26(11-4)22-37-29(34)20-32(40-25(7)33,31(36)39-24-28(13-6)19-16-10-3)21-30(35)38-23-27(12-5)18-15-9-2/h26-28H,8-24H2,1-7H3


name: Tripiperazine dicitrate
cas: 144-29-6
chebiid: CHEBI:79399
formula: C6H8O7.3/2C4H10N2
inchikey: JDDHUROHDHPVIO-UHFFFAOYSA-N
norman_susdat_id: NS00079260
smiles: OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O.C1CNCCN1.C2CNCCN2.C3CNCCN3
inchi:
InChI=1/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2


name: Disodium hydrogen citrate
cas: 144-33-2
formula: C6H8O7.2Na
inchikey: CEYULKASIQJZGP-UHFFFAOYSA-K
norman_susdat_id: NS00079062
smiles: [Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.2Na/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);;/q;2*+1/p-3


name: 3,9-diphenoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
cas: 144-35-4
dtxsid: DTXSID3027114
formula: C17H18O6P2
inchikey: SDCYWERHEYVPHL-UHFFFAOYSA-N
norman_susdat_id: NS00041312
pubchem_cid: 67245
smiles: O(C=1C=CC=CC1)P2OCC3(CO2)COP(OC=4C=CC=CC4)OC3
inchi:
InChI=1/C17H18O6P2/c1-3-7-15(8-4-1)22-24-18-11-17(12-19-24)13-20-25(21-14-17)23-16-9-5-2-6-10-16/h1-10H,11-14H2


name: (3R,3R')-ß,ß-carotene-3,3'-diyl dipalmitate
cas: 144-67-2
dtxsid: DTXSID6048707
formula: C72H116O4
inchikey: XACHQDDXHDTRLX-MSXBASLCSA-N
norman_susdat_id: NS00041503
pubchem_cid: 72132
inchi:
InChI=1/C72H116O4/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-49-69(73)75-65-55-63(7)67(71(9,10)57-65)53-51-61(5)47-41-45-59(3)43-39-40-44-60(4)46-42-48-62(6)52-54-68-64(8)56-66(58-72(68,11)12)76-70(74)50-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h39-48,51-54,65-66H,13-38,49-50,55-58H2,1-12H3

smiles:
O=C(OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(OC(=O)CCCCCCCCCCCCCCC)CC2(C)C)C)C)C)C)C(C)(C)C1)C)CCCCCCCCCCCCCCC


name: Zeaxanthin
cas: 144-68-3
chebiid: CHEBI:27547
chemspiderid: 4444421
dtxsid: DTXSID5046807
formula: C40H56O2
inchikey: JKQXZKUSFCKOGQ-QAYBQHTQSA-N
norman_susdat_id: NS00019592
pubchem_cid: 5280899
smiles: C/C(=CC=CC=C(/C)C=CC=C(/C)C=CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
inchi:
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1


name: Aldesulfon | Diason
cas: 144-75-2
chebiid: CHEBI:135651
dtxsid: DTXSID80162594
formula: C14H16N2O6S3
inchikey: NEDPPCHNEOMTJV-UHFFFAOYSA-N
norman_susdat_id: NS00071578
pubchem_cid: 5351
smiles: O=[S@@](O)CNc1ccc(S(=O)(=O)c2ccc(NC[S@](=O)O)cc2)cc1
inchi:
InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)


cas: 144031-01-6
dtxsid: DTXSID30882952
norman_susdat_id: NS00109977
name:
2-Propenoic acid, dodecyl ester, polymers with Bu (1-oxo-2-propenyl)carbamate and .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate


name: Rizatriptan
cas: 144034-80-0
chebiid: CHEBI:48273
chemspiderid: 4900
dtxsid: DTXSID2023565
formula: C15H19N5
inchikey: ULFRLSNUDGIQQP-UHFFFAOYSA-N
norman_susdat_id: NS00014357
pubchem_cid: 5078
smiles: CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
inchi:
InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3


name: Piclamilast
cas: 144035-83-6
chebiid: CHEBI:47619
dtxsid: DTXSID3040227
formula: C18H18Cl2N2O3
inchikey: RRRUXBQSQLKHEL-UHFFFAOYSA-N
norman_susdat_id: NS00068349
pubchem_cid: 154575
smiles: COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OC1CCCC1
inchi:
InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)


name: 2,4'-Dichloro-2'-o-chlorobenzoylacetanilide
cas: 14405-03-9
chemspiderid: 76146
dtxsid: DTXSID90162606
formula: C15H10Cl3N1O2
inchikey: VCBRYYAFVLDIHK-UHFFFAOYSA-N
norman_susdat_id: NS00024676
pubchem_cid: 84410
smiles: ClCC(=O)Nc1c(cc(Cl)cc1)C(=O)c1c(Cl)cccc1
inchi:
InChI=1S/C15H10Cl3NO2/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)


cas: 1440528-04-0
dtxsid: DTXSID30897647
norman_susdat_id: NS00110166
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methyl-2-propenoate, N-oxides, acetates


name: Febuxostat
cas: 144060-53-7
chebiid: CHEBI:31596
chemspiderid: 118173
dtxsid: DTXSID8048650
formula: C16H16N2O3S1
inchikey: BQSJTQLCZDPROO-UHFFFAOYSA-N
norman_susdat_id: NS00004138
pubchem_cid: 134018
smiles: CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
inchi:
InChI=1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)


name: 1-[2-(ethylphenylamino)ethyl]pyridinium chloride
cas: 14408-19-6
dtxsid: DTXSID80884749
formula: C15H19N2
inchikey: BKROMFFRLPSNBH-UHFFFAOYSA-M
norman_susdat_id: NS00054064
pubchem_cid: 84414
smiles: [Cl-].C=1C=CC(=CC1)N(CC)CC[N+]=2C=CC=CC2
inchi:
InChI=1/C15H19N2.ClH/c1-2-17(15-9-5-3-6-10-15)14-13-16-11-7-4-8-12-16;/h3-12H,2,13-14H2,1H3;1H/q+1;/p-1


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride
cas: 14408-20-9
formula: C21H20Cl2N5O2.Cl
inchikey: LPOFSFJHFNJPBD-UHFFFAOYSA-M
norman_susdat_id: NS00087041
smiles: [Cl-].[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H20Cl2N5O2.ClH/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;/h3-11,14-15H,2,12-13H2,1H3;1H/q+1;/p-1


name: 1-[2-[ethyl[4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]ethyl]pyridinium chloride
cas: 14408-21-0
dtxsid: DTXSID50884751
formula: C18H20N6O2S
inchikey: VNPDCVHWYZIKRH-UHFFFAOYSA-M
norman_susdat_id: NS00054116
pubchem_cid: 84418
smiles: [Cl-].O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)=NC1
inchi:
InChI=1/C18H19N6O2S.ClH/c1-2-23(13-12-22-10-4-3-5-11-22)16-8-6-15(7-9-16)20-21-18-19-14-17(27-18)24(25)26;/h3-11,14H,2,12-13H2,1H3;1H/q+1;/p-1


cas: 14408-23-2
formula: C27H22ClN7O11S3
inchikey: GGIZVPPQIWBRQZ-UHFFFAOYSA-N
norman_susdat_id: NS00054065
pubchem_cid: 172648
name:
7-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C27H22ClN7O11S3/c1-35(27-31-25(28)30-26(32-27)29-15-4-3-5-18(12-15)47(37,38)39)16-6-8-19-14(10-16)11-22(49(43,44)45)23(24(19)36)34-33-20-9-7-17(46-2)13-21(20)48(40,41)42/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32)

smiles:
O=S(=O)(O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)N(C=3C=CC4=C(O)C(N=NC5=CC=C(OC)C=C5S(=O)(=O)O)=C(C=C4C3)S(=O)(=O)O)C


cas: 14408-24-3
formula: C27H22ClN7O11S3
inchikey: IAAFJDPGVQIVED-UHFFFAOYSA-N
norman_susdat_id: NS00087607
smiles: Clc2nc(Nc1ccc(cc1)S(O)(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S(O)(=O)=O)c(O)c5cc4)S(O)(=O)=O
name:
7-[[4-chloro-6-[(4-sulphophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C27H22ClN7O11S3/c1-35(27-31-25(28)30-26(32-27)29-15-3-7-18(8-4-15)47(37,38)39)16-5-9-19-14(11-16)12-22(49(43,44)45)23(24(19)36)34-33-20-10-6-17(46-2)13-21(20)48(40,41)42/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32)


name: 4-Oxazolemethanol, 2-(8-heptadecen-1-yl)-4,5-dihydro-4-methyl-
cas: 14408-42-5
chemspiderid: 4940538
dtxsid: DTXSID60864504
formula: C22H41N1O2
inchikey: HCIRJRYSFLWMMS-ZHACJKMWSA-N
norman_susdat_id: NS00013856
pubchem_cid: 6435848
smiles: CCCCCCCC/C=C/CCCCCCCC1=NC(C)(CO)CO1
inchi:
InChI=1S/C22H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22(2,19-24)20-25-21/h10-11,24H,3-9,12-20H2,1-2H3/b11-10+


name: N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopentanecarboxamide
cas: 1440968-21-7
dtxsid: DTXSID80896201
formula: C10H10F9NO3S
inchikey: FLLDEJHRVFMCRU-UHFFFAOYSA-N
norman_susdat_id: NS00111797
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)C1CCCC1
inchi:
InChI=1S/C10H10F9NO3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)24(22,23)20-6(21)5-3-1-2-4-5/h5H,1-4H2,(H,20,21)


name: 1-Methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)cyclopentane-1-carboxamide
cas: 1440968-23-9
dtxsid: DTXSID90896217
formula: C11H12F9NO3S
inchikey: ZNLVRZYKPKOZEM-UHFFFAOYSA-N
norman_susdat_id: NS00112151
smiles: CC1(CCCC1)C(=O)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H12F9NO3S/c1-7(4-2-3-5-7)6(22)21-25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-5H2,1H3,(H,21,22)


name: N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclopent-2-ene-1-carboxamide
cas: 1440968-24-0
dtxsid: DTXSID10896219
formula: C10H8F9NO3S
inchikey: MGIMXTVIKFQOFZ-UHFFFAOYSA-N
norman_susdat_id: NS00109400
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)C1CCC=C1
inchi:
InChI=1/C10H8F9NO3S/c11-7(12,9(15,16)17)8(13,14)10(18,19)24(22,23)20-6(21)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,20,21)


name: N-(1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl)cyclohexanecarboxamide
cas: 1440968-37-5
dtxsid: DTXSID30896211
formula: C11H12F9NO3S
inchikey: RQHMHZYWBYYODV-UHFFFAOYSA-N
norman_susdat_id: NS00110088
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)C1CCCCC1
inchi:
InChI=1S/C11H12F9NO3S/c12-8(13,10(16,17)18)9(14,15)11(19,20)25(23,24)21-7(22)6-4-2-1-3-5-6/h6H,1-5H2,(H,21,22)


name: 3-[(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)amino]phenol
cas: 1441382-30-4
dtxsid: DTXSID00896001
formula: C13H8F13NO
inchikey: JUGRINNZISZBSO-UHFFFAOYSA-N
norman_susdat_id: NS00109015
smiles: Oc1cccc(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
inchi:
InChI=1S/C13H8F13NO/c14-8(15,5-27-6-2-1-3-7(28)4-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4,27-28H,5H2


name: 4-hydroxy-3,5-dimethoxybenzaldehyde azine
cas: 14414-32-5
dtxsid: DTXSID70889384
formula: C18H20N2O6
inchikey: YARKTHNUMGKMGS-UHFFFAOYSA-N
norman_susdat_id: NS00053683
pubchem_cid: 84422
smiles: OC1=C(OC)C=C(C=NN=CC2=CC(OC)=C(O)C(OC)=C2)C=C1OC
inchi:
InChI=1/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3


cas: 1441670-89-8
chemspiderid: 34559715
formula: C27H26Br1F2N3O2
inchikey: CZEZIZZCMWUQHO-UHFFFAOYSA-N
norman_susdat_id: NS00001600
pubchem_cid: 91754563
smiles: CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)Br
name:
(S)-tert-butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

inchi:
InChI=1S/C27H26BrF2N3O2/c1-25(2,3)35-24(34)33-14-26(8-9-26)12-22(33)23-31-13-21(32-23)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,13,22H,8-9,12,14H2,1-3H3,(H,31,32)/t22-/m0/s1


name: 1,1'-[ethylenebis(oxymethylene)]dipyridinium dichloride
cas: 14417-67-5
dtxsid: DTXSID20889632
formula: C14H18N2O2
inchikey: BQHBBENFAJGTNJ-UHFFFAOYSA-L
norman_susdat_id: NS00053684
pubchem_cid: 84424
smiles: [Cl-].[Cl-].O(C[N+]=1C=CC=CC1)CCOC[N+]=2C=CC=CC2
inchi:
InChI=1/C14H18N2O2.2ClH/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;/h1-10H,11-14H2;2*1H/q+2;;/p-2


name: (+/-)-Indoxacarb
cas: 144171-61-9
chemspiderid: 8112367
dtxsid: DTXSID3040801
formula: C22H17Cl1F3N3O7
inchikey: VBCVPMMZEGZULK-UHFFFAOYSA-N
norman_susdat_id: NS00002724
pubchem_cid: 9936739
smiles: COC(=O)N(C(=O)N1COC2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c1ccc(OC(F)(F)F)cc1
inchi:
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3


name: Cytidine
cas: 14419-78-4
chebiid: CHEBI:17562
dtxsid: DTXSID60891552
formula: C9H13N3O5
inchikey: UHDGCWIWMRVCDJ-XVFCMESISA-N
norman_susdat_id: NS00069068
pubchem_cid: 6175
smiles: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
inchi:
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1


name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(morpholin-4-yl)heptan-1-one
cas: 144237-77-4
dtxsid: DTXSID70405381
formula: C11H8F13NO2
inchikey: HYKLUXGMNPOIOG-UHFFFAOYSA-N
norman_susdat_id: NS00111237
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1CCOCC1
inchi:
InChI=1S/C11H8F13NO2/c12-6(13,5(26)25-1-3-27-4-2-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2


name: Bis[p-(dimethylamino)phenyl][p-(dimethylammonio)phenyl]methylium
cas: 14426-25-6
formula: C25H30N3
inchikey: LGLFFNDHMLKUMI-UHFFFAOYSA-O
norman_susdat_id: NS00087087
smiles: CN(C)c1ccc(cc1)[C+](c2ccc(cc2)N(C)C)c3ccc(cc3)[NH+](C)C
inchi:
InChI=1/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3/q+1/p+1


name: Bis[bis(2-ethylhexyl)dithiocarbamato-S,S']nickel
cas: 14428-08-1
formula: C34H68N2NiS4
inchikey: GJAIWWXDQOUKDC-UHFFFAOYSA-L
norman_susdat_id: NS00087043
smiles: CCCCC(CC)CN(CC(CC)CCCC)C(=S)S[Ni]SC(=S)N(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/2C17H35NS2.Ni/c2*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h2*15-16H,5-14H2,1-4H3,(H,19,20);/q;;+2/p-2/rC34H68N2NiS4/c1-9-17-21-29(13-5)25-35(26-30(14-6)22-18-10-2)33(38)40-37-41-34(39)36(27-31(15-7)23-19-11-3)28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3


name: 3-Pentofuranosyl-3H-imidazo[4,5-b]pyridin-7-amine
cas: 14432-09-8
dtxsid: DTXSID40932290
formula: C11H14N4O4
inchikey: NVUDDRWKCUAERS-PNHWDRBUSA-N
norman_susdat_id: NS00069268
pubchem_cid: 159738
smiles: Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1


name: 4-(pyrimidin-2-ylmethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
cas: 1443211-72-0
formula: C21H16F3N3O3
inchikey: YNUAEEJQYHYLMS-UHFFFAOYSA-N
norman_susdat_id: NS00073613
pubchem_cid: 71183216
smiles: O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1
inchi:
InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2


cas: 1443224-69-8
inchikey: QWHVUWYYBCHUQU-GAVKPFJOSA-B
norman_susdat_id: NS00078607
name:
dodecasodium 3-[(E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-5-({4-[2-(3-{[4-({7-[(E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-8-hydroxy-3,6-disulfonatonaphthalen-1-yl}amino)-6-fluoro-1,3,5-triazin-2-yl]amino}benzenesulfonyl)ethoxy]-6-{[3-(ethenesulfonyl)phenyl]amino}-1,3,5-triazin-2-yl}amino)-4-hydroxynaphthalene-2,7-disulfonate 3-[(E)-2-(1,5-disulfonatonaphthalen-2-yl)diazen-1-yl]-5-[(4-{[3-(ethenesulfonyl)phenyl]amino}-6-fluoro-1,3,5-triazin-2-yl)amino]-4-hydroxynaphthalene-2,7-disulfonate

smiles:
S(=O)(=O)([O-])C1=C(C=CC2=C(C=CC=C12)S(=O)(=O)[O-])/N=N/C=1C(=CC2=CC(=CC(=C2C1O)NC1=NC(=NC(=N1)NC1=CC(=CC=C1)S(=O)(=O)C=C)F)S(=O)(=O)[O-])S(=O)(=O)[O-].S(=O)(=O)([O-])C1=C(C=CC2=C(C=CC=C12)S(=O)(=O)[O-])/N=N/C=1C(=CC2=CC(=CC(=C2C1O)NC1=NC(=NC(=N1)OCCS(=O)(=O)C1=CC(=CC=C1)NC1=NC(=NC(=N1)NC1=CC(=CC2=CC(=C(C(=C12)O)N=NC1=C(C2=CC=CC(=C2C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])F)NC1=CC(=CC=C1)S(=O)(=O)C=C)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]


name: 4-Chlorophenyl (2,2,3,3,4,4,4-heptafluorobutanoyl)sulfamate
cas: 1443258-17-0
dtxsid: DTXSID70896179
formula: C10H5ClF7NO4S
inchikey: JFPOJRKSHNMRDK-UHFFFAOYSA-N
norman_susdat_id: NS00111462
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NS(=O)(=O)Oc1ccc(Cl)cc1
inchi:
InChI=1S/C10H5ClF7NO4S/c11-5-1-3-6(4-2-5)23-24(21,22)19-7(20)8(12,13)9(14,15)10(16,17)18/h1-4H,(H,19,20)


name: Binodenoson
cas: 144348-08-3
dtxsid: DTXSID60869938
formula: C17H25N7O4
inchikey: XJFMHMFFBSOEPR-DNZQAUTHSA-N
norman_susdat_id: NS00069597
pubchem_cid: 9576912
smiles: Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1


name: Benzamide, 2-(acetyloxy)-N-(4-chlorophenyl)-3,5-diiodo-
cas: 14437-41-3
chemspiderid: 24870
dtxsid: DTXSID1065766
formula: C15H10Cl1I2N1O3
inchikey: ICKMASVVMCGZLR-UHFFFAOYSA-N
norman_susdat_id: NS00021012
pubchem_cid: 26695
smiles: CC(=O)Oc1c(I)cc(I)cc1C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C15H10ClI2NO3/c1-8(20)22-14-12(6-10(17)7-13(14)18)15(21)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,21)


name: Dipropylene glycol dimethyl ether
cas: 14438-19-8
chebiid: CHEBI:17720
chemspiderid: 161681
dtxsid: DTXSID0042327
formula: C3H8O10P2
inchikey: XOHUEYCVLUUEJJ-UWTATZPHSA-N
norman_susdat_id: NS00004397
pubchem_cid: 186004
smiles: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O
inchi:
InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1


name: Obscurolide A1
cas: 144397-99-9
chemspiderid: 4943221
formula: C15H17N1O5
inchikey: IZSWILLJDXDGDJ-FARCUNLSSA-N
norman_susdat_id: NS00018629
pubchem_cid: 6438770
smiles: CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C(=O)O)O
inchi:
InChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2+


name: Obscurolide A2
cas: 144398-00-5
formula: C15H17NO4
inchikey: RYJWSNUDETVRFF-FARCUNLSSA-N
norman_susdat_id: NS00097390
smiles: CC(/C=C/C1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O
inchi:
InChI=1S/C15H17NO4/c1-10(18)2-7-14-13(8-15(19)20-14)16-12-5-3-11(9-17)4-6-12/h2-7,9-10,13-14,16,18H,8H2,1H3/b7-2+


name: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-N-octadecylpropanamide
cas: 14442-94-5
chemspiderid: 14353320
formula: C35H63N1O2
inchikey: HQSOHEURLMFXBX-UHFFFAOYSA-N
norman_susdat_id: NS00004732
pubchem_cid: 19736307
smiles: CCCCCCCCCCCCCCCCCCNC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C35H63NO2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-36-32(37)25-24-29-27-30(34(2,3)4)33(38)31(28-29)35(5,6)7/h27-28,38H,8-26H2,1-7H3,(H,36,37)


name: Clopidogrel carboxylic acid
cas: 144457-28-3
chebiid: CHEBI:83504
chemspiderid: 3342490
dtxsid: DTXSID10891466
formula: C15H14Cl1N1O2S1
inchikey: DCASRSISIKYPDD-UHFFFAOYSA-N
norman_susdat_id: NS00000417
pubchem_cid: 4129546
smiles: C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O
inchi:
InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)


cas: 144468-31-5
dtxsid: DTXSID40883076
norman_susdat_id: NS00110327
name:
1,3-Propanediol, 2,2-bis(bromomethyl)-, reaction products with ethanethiol-tetrafluoroethylene telomer


name: 9,10-Anthracenedione, 1-amino-4-[(2,4-dinitrophenyl)amino]-
cas: 14449-97-9
chemspiderid: 4588246
dtxsid: DTXSID6065769
formula: C20H12N4O6
inchikey: WYDBWQFSXBDNFU-UHFFFAOYSA-N
norman_susdat_id: NS00024698
pubchem_cid: 5483699
smiles: Nc1ccc(Nc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H12N4O6/c21-13-6-8-15(22-14-7-5-10(23(27)28)9-16(14)24(29)30)18-17(13)19(25)11-3-1-2-4-12(11)20(18)26/h1-9,22H,21H2


name: Tirofiban
cas: 144494-65-5
chebiid: CHEBI:9605
chemspiderid: 54912
dtxsid: DTXSID20162730
formula: C22H36N2O5S1
inchikey: COKMIXFXJJXBQG-NRFANRHFSA-N
norman_susdat_id: NS00008567
pubchem_cid: 40466968
smiles: CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O
inchi:
InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1


name: Pseudouridine
cas: 1445-07-4
chebiid: CHEBI:17802
chemspiderid: 14319
formula: C9H12N2O6
inchikey: PTJWIQPHWPFNBW-GBNDHIKLSA-N
norman_susdat_id: NS00014796
pubchem_cid: 15047
smiles: C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
inchi:
InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1


name: Sodium 8-anilinonaphthalene-1-sulphonate
cas: 1445-19-8
formula: C16H13NO3S.Na
inchikey: VUSNMYYVKMGHEH-UHFFFAOYSA-M
norman_susdat_id: NS00080784
smiles: [Na+].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
inchi:
InChI=1/C16H13NO3S.Na/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h1-11,17H,(H,18,19,20);/q;+1/p-1


name: Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
cas: 14450-05-6
chemspiderid: 76177
dtxsid: DTXSID6027765
formula: C41H76O8
inchikey: IBKKMFMBXQARGV-UHFFFAOYSA-N
norman_susdat_id: NS00013966
pubchem_cid: 84447
smiles: CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
inchi:
InChI=1S/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3


name: Dioleyl hydrogen phosphate
cas: 14450-07-8
formula: C36H71O4P
inchikey: WFFZELZOEWLYNK-CLFAGFIQSA-N
norman_susdat_id: NS00054168
pubchem_cid: 6436414
smiles: O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H71O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,37,38)


name: Citric acid, lead salt
cas: 14450-60-3
formula: C6H8O7.xPb
inchikey: JNLCUVJKTXKKSG-UHFFFAOYSA-N
norman_susdat_id: NS00087091
smiles: [Pb].O=C(O)CC(O)(CC(=O)O)C(O)=O
inchi:
InChI=1/C6H8O7.Pb.2H/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);;;/q;+4;;/rC6H8O7.H2Pb/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);1H2/q;+4


name: Pixantrone
cas: 144510-96-3
chebiid: CHEBI:135945
dtxsid: DTXSID10162744
formula: C17H19N5O2
inchikey: PEZPMAYDXJQYRV-UHFFFAOYSA-N
norman_susdat_id: NS00068592
pubchem_cid: 134019
smiles: NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O
inchi:
InChI=1S/C17H19N5O2/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24/h1-3,6,9,21-22H,4-5,7-8,18-19H2


name: Murrayanol
cas: 144525-81-5
chebiid: CHEBI:174857
chemspiderid: 8151562
formula: C24H29NO2
inchikey: RTEIBQDXHHQYRJ-CXUHLZMHSA-N
norman_susdat_id: NS00067910
pubchem_cid: 9975970
inchi:
InChI=1S/C24H29NO2/c1-15(2)7-6-8-16(3)9-10-19-22(26)12-11-18-20-13-17(4)23(27-5)14-21(20)25-24(18)19/h7,9,11-14,25-26H,6,8,10H2,1-5H3/b16-9+


name: Aspartic acid, N-(1,2-dicarboxyethyl)-, sodium salt (1:4)
cas: 144538-83-0
dtxsid: DTXSID1051723
formula: C8H7NNa4O8
inchikey: GYBINGQBXROMRS-UHFFFAOYSA-J
norman_susdat_id: NS00113658
smiles: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CC(NC(CC([O-])=O)C([O-])=O)C([O-])=O
inchi:
InChI=1/C8H11NO8.4Na/c10-5(11)1-3(7(14)15)9-4(8(16)17)2-6(12)13;;;;/h3-4,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17);;;;/q;4*+1/p-4


name: N6-(2,4-dinitrophenyl)-L-lysine hydrochloride
cas: 14455-27-7
dtxsid: DTXSID40932331
formula: C12H18N4O6
inchikey: VDVXDUOPLKVMMM-FVGYRXGTSA-N
norman_susdat_id: NS00053745
pubchem_cid: 22872935
smiles: Cl.O=C(O)C(N)CCCCNC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C12H16N4O6.ClH/c13-9(12(17)18)3-1-2-6-14-10-5-4-8(15(19)20)7-11(10)16(21)22;/h4-5,7,9,14H,1-3,6,13H2,(H,17,18);1H


name: Naphthalene-1,5-disulphonic acid, sodium salt
cas: 14455-34-6
formula: C10H8O6S2.xNa
inchikey: KUCYYPJWOURRRA-UHFFFAOYSA-M
norman_susdat_id: NS00087653
smiles: [Na+].OS(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Na/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1


name: UR-144 N-(5-Chloropentyl) analog
cas: 1445577-42-3
chemspiderid: 29341421
formula: C21H28Cl1N1O1
inchikey: CKIOITGXSRFWIS-UHFFFAOYSA-N
norman_susdat_id: NS00017741
pubchem_cid: 90464183
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCCl)C
inchi:
InChI=1S/C21H28ClNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3


name: JWH 122 N-(4-pentenyl) analog
cas: 1445577-68-3
chemspiderid: 29341524
formula: C25H23N1O1
inchikey: FJRCMNJZLRNCND-UHFFFAOYSA-N
norman_susdat_id: NS00017611
pubchem_cid: 91725393
smiles: CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCC=C
inchi:
InChI=1S/C25H23NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h3,5-8,10-15,17H,1,4,9,16H2,2H3


name: XLR11 N-(4-pentenyl) analog
cas: 1445578-20-0
chemspiderid: 29341447
formula: C21H27N1O1
inchikey: NXTLUQFOTQPMOD-UHFFFAOYSA-N
norman_susdat_id: NS00017343
pubchem_cid: 90464180
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC=C)C
inchi:
InChI=1S/C21H27NO/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5/h6,8-9,11-12,14,19H,1,7,10,13H2,2-5H3


name: MAM2201 N-(5-chloropentyl) analog
cas: 1445578-25-5
chemspiderid: 29341422
formula: C25H24Cl1N1O1
inchikey: MGKPPIQCXPTZFK-UHFFFAOYSA-N
norman_susdat_id: NS00017690
pubchem_cid: 91864523
smiles: CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCCCl
inchi:
InChI=1S/C25H24ClNO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3


name: JWH 018 N-(5-chloropentyl) analog
cas: 1445578-56-2
chemspiderid: 29341424
formula: C24H22Cl1N1O1
inchikey: NZQRTHJPVKPTBV-UHFFFAOYSA-N
norman_susdat_id: NS00017654
pubchem_cid: 91713116
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCCl
inchi:
InChI=1S/C24H22ClNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2


name: JWH 018 N-(5-bromopentyl) analog
cas: 1445578-62-0
chemspiderid: 29341420
formula: C24H22Br1N1O1
inchikey: QDWNXDILPHVKLY-UHFFFAOYSA-N
norman_susdat_id: NS00017667
pubchem_cid: 91740913
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCBr
inchi:
InChI=1S/C24H22BrNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2


name: NPB-22
cas: 1445579-61-2
chemspiderid: 30922491
formula: C22H21N3O2
inchikey: UWICFJAXLKCHTQ-UHFFFAOYSA-N
norman_susdat_id: NS00017666
pubchem_cid: 118796435
smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC4=C3N=CC=C4
inchi:
InChI=1S/C22H21N3O2/c1-2-3-6-15-25-18-12-5-4-11-17(18)21(24-25)22(26)27-19-13-7-9-16-10-8-14-23-20(16)19/h4-5,7-14H,2-3,6,15H2,1H3


name: 5-Fluoro NPB-22
cas: 1445579-79-2
chemspiderid: 30922492
formula: C22H20F1N3O2
inchikey: DZNDVBLSHUYZLI-UHFFFAOYSA-N
norman_susdat_id: NS00017388
pubchem_cid: 118796524
smiles: C1=CC=C2C(=C1)C(=NN2CCCCCF)C(=O)OC3=CC=CC4=C3N=CC=C4
inchi:
InChI=1S/C22H20FN3O2/c23-13-4-1-5-15-26-18-11-3-2-10-17(18)21(25-26)22(27)28-19-12-6-8-16-9-7-14-24-20(16)19/h2-3,6-12,14H,1,4-5,13,15H2


name: 5-Fluoro NNEI
cas: 1445580-60-8
chemspiderid: 29341632
formula: C24H23F1N2O1
inchikey: DJKVOBZLMBHFKX-UHFFFAOYSA-N
norman_susdat_id: NS00017593
pubchem_cid: 118796566
smiles: C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CN(C4=CC=CC=C43)CCCCCF
inchi:
InChI=1S/C24H23FN2O/c25-15-6-1-7-16-27-17-21(20-12-4-5-14-23(20)27)24(28)26-22-13-8-10-18-9-2-3-11-19(18)22/h2-5,8-14,17H,1,6-7,15-16H2,(H,26,28)


name: 5-Fluoro MN-18
cas: 1445581-91-8
chemspiderid: 29763728
formula: C23H22F1N3O1
inchikey: XBSWUIWDRFCAGZ-UHFFFAOYSA-N
norman_susdat_id: NS00017653
pubchem_cid: 91936859
smiles: C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=NN(C4=CC=CC=C43)CCCCCF
inchi:
InChI=1S/C23H22FN3O/c24-15-6-1-7-16-27-21-14-5-4-12-19(21)22(26-27)23(28)25-20-13-8-10-17-9-2-3-11-18(17)20/h2-5,8-14H,1,6-7,15-16H2,(H,25,28)


name: ADBICA
cas: 1445583-48-1
chemspiderid: 29342130
formula: C20H29N3O2
inchikey: IXUYMXAKKYWKRG-UHFFFAOYSA-N
norman_susdat_id: NS00017409
pubchem_cid: 72710773
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC(C(=O)N)C(C)(C)C
inchi:
InChI=1S/C20H29N3O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25)


name: ADB-FUBINACA
cas: 1445583-51-6
chemspiderid: 29763706
formula: C21H23F1N4O2
inchikey: ZSSGCSINPVBLQD-UHFFFAOYSA-N
norman_susdat_id: NS00017596
pubchem_cid: 70969086
smiles: CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
inchi:
InChI=1S/C21H23FN4O2/c1-21(2,3)18(19(23)27)24-20(28)17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(22)11-9-13/h4-11,18H,12H2,1-3H3,(H2,23,27)(H,24,28)


name: HTMPIPO-4
cas: 1445751-38-1
chemspiderid: 32078885
formula: C21H31NO2
inchikey: GWHGUYKAGQLPTQ-UHFFFAOYSA-N
norman_susdat_id: NS00101011
pubchem_cid: 72720476
smiles: CCCCCn1cc(c2c1cccc2)C(=O)CC(C)(C)C(C)(C)O
inchi:
InChI=1S/C21H31NO2/c1-6-7-10-13-22-15-17(16-11-8-9-12-18(16)22)19(23)14-20(2,3)21(4,5)24/h8-9,11-12,15,24H,6-7,10,13-14H2,1-5H3


name: AB-PINACA
cas: 1445752-09-9
chemspiderid: 28537615
formula: C18H26N4O2
inchikey: GIMHPAQOAAZSHS-HNNXBMFYSA-N
norman_susdat_id: NS00017910
pubchem_cid: 71301472
smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC(C(C)C)C(=O)N
inchi:
InChI=1S/C18H26N4O2/c1-4-5-8-11-22-14-10-7-6-9-13(14)16(21-22)18(24)20-15(12(2)3)17(19)23/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3,(H2,19,23)(H,20,24)/t15-/m0/s1


name: Spiro(acridine-9(10H),1'-cyclohexane)
cas: 14458-75-4
chemspiderid: 76186
dtxsid: DTXSID00162758
formula: C18H19N1
inchikey: JKUQXMBYLVLQLN-UHFFFAOYSA-N
norman_susdat_id: NS00024701
pubchem_cid: 84457
smiles: C1CCC2(CC1)c1ccccc1Nc1c2cccc1
inchi:
InChI=1S/C18H19N/c1-6-12-18(13-7-1)14-8-2-4-10-16(14)19-17-11-5-3-9-15(17)18/h2-5,8-11,19H,1,6-7,12-13H2


cas: 1445870-18-7
chemspiderid: 35311718
formula: C29H55N1O4
inchikey: HAFKWVXPFIPBEJ-UHFFFAOYSA-N
norman_susdat_id: NS00005641
pubchem_cid: 117799809
smiles: CC(CC(=O)OCCN1C(C)(C)CC(CC1(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
name:
Hexanoic acid, 3,5,5-trimethyl-, 2,2,6,6-tetramethyl-1-[2-[(3,5,5-trimethyl-1-oxohexyl)oxy]ethyl]-4-piperidinyl ester

inchi:
InChI=1S/C29H55NO4/c1-21(17-26(3,4)5)15-24(31)33-14-13-30-28(9,10)19-23(20-29(30,11)12)34-25(32)16-22(2)18-27(6,7)8/h21-23H,13-20H2,1-12H3


name: Haematoporphyrin
cas: 14459-29-1
formula: C34H50N4O6
inchikey: YBKGPLLIRRVJIW-UHFFFAOYSA-N
norman_susdat_id: NS00053746
pubchem_cid: NA
smiles: O=C(O)CCC=1C=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)CCC(=O)O)C(=C4C)C(O)C)C(=C3C)C(O)C)C1C
inchi:
InChI=1/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,36-37,39-40H,7-10H2,1-6H3,(H,41,42)(H,43,44)


name: Paliperidone
cas: 144598-75-4
chebiid: CHEBI:83806
chemspiderid: 7978307
dtxsid: DTXSID7049059
formula: C23H27F1N4O3
inchikey: PMXMIIMHBWHSKN-LJQANCHMSA-N
norman_susdat_id: NS00010405
pubchem_cid: 9802545
smiles: CC1=C(C(=O)N2CCC[C@H](C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
inchi:
InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1


name: Dehydroabietylamine
cas: 1446-61-3
chebiid: CHEBI:93086
chemspiderid: 55878
dtxsid: DTXSID2041834
formula: C20H31N1
inchikey: JVVXZOOGOGPDRZ-SLFFLAALSA-N
norman_susdat_id: NS00019781
pubchem_cid: 62034
smiles: CC(C)c1cc2c(cc1)[C@@]1(C)CCC[C@@](C)(C[NH3+])[C@@H]1CC2
inchi:
InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1


name: Oxohongdenafil
cas: 1446144-70-2
chemspiderid: NA
formula: C25H32N6O4
inchikey: ADYHMKHETXNXBT-UHFFFAOYSA-N
norman_susdat_id: NS00015021
pubchem_cid: 92135826
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCN(C(=O)C4)CC)OCC)C
inchi:
InChI=1S/C25H32N6O4/c1-5-8-18-22-23(29(4)28-18)25(34)27-24(26-22)17-13-16(9-10-20(17)35-7-3)19(32)14-30-11-12-31(6-2)21(33)15-30/h9-10,13H,5-8,11-12,14-15H2,1-4H3,(H,26,27,34)


name: Acetaminotadalafil
cas: 1446144-71-3
chemspiderid: 48059193
formula: C23H20N4O5
inchikey: MUILQBHOQBZMPG-VGOFRKELSA-N
norman_susdat_id: NS00015863
pubchem_cid: 102199117
smiles: CC(=O)NN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6
inchi:
InChI=1S/C23H20N4O5/c1-12(28)25-26-10-20(29)27-17(23(26)30)9-15-14-4-2-3-5-16(14)24-21(15)22(27)13-6-7-18-19(8-13)32-11-31-18/h2-8,17,22,24H,9-11H2,1H3,(H,25,28)/t17-,22-/m1/s1


cas: 1446182-94-0
formula: C29H36N6O4S
inchikey: HSHPBORBOJIXSQ-HARLFGEKSA-N
norman_susdat_id: NS00073616
pubchem_cid: 71600094
smiles: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1
name:
1-{2-cyclohexyl-2-[2-(methylamino)propanamido]acetyl}-n-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide

inchi:
InChI=1S/C29H36N6O4S/c1-18(30-2)24(36)32-23(20-12-7-4-8-13-20)29(38)35-16-9-14-21(35)25(37)34-27-22(19-10-5-3-6-11-19)33-28(40-27)26-31-15-17-39-26/h3,5-6,10-11,15,17-18,20-21,23,30H,4,7-9,12-14,16H2,1-2H3,(H,32,36)(H,34,37)/t18-,21-,23-/m0/s1


name: {4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]cyclopent-2-en-1-yl}methyl 2-hydroxyacetate
cas: 1446418-48-9
formula: C16H20N6O3
inchikey: ZBBZROWQLKCFQK-KOLCDFICSA-N
norman_susdat_id: NS00073618
pubchem_cid: 71605071
smiles: Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COC(=O)CO)C3)c2n1
inchi:
InChI=1S/C16H20N6O3/c17-16-20-14(19-10-2-3-10)13-15(21-16)22(8-18-13)11-4-1-9(5-11)7-25-12(24)6-23/h1,4,8-11,23H,2-3,5-7H2,(H3,17,19,20,21)/t9-,11+/m1/s1


name: Trilinolenin C18:3
cas: 14465-68-0
chebiid: CHEBI:75845
chemspiderid: 4575640
dtxsid: DTXSID6042654
formula: C57H92O6
inchikey: UBEIMDKGOYBUKT-FLIQGJDUSA-N
norman_susdat_id: NS00014182
pubchem_cid: 5462874
smiles: CCC=C/C/C=CCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/C/C=CCC=C/CC)OC(=O)CCCCCCCC=C/C/C=CCC=C/CC
inchi:
InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,54H,4-6,13-15,22-24,31-53H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-


name: enasidenib mesylate
cas: 1446502-11-9
chebiid: CHEBI:145374
formula: C19H17F6N7O
inchikey: DYLUUSLLRIQKOE-UHFFFAOYSA-N
norman_susdat_id: NS00073630
pubchem_cid: 89683805
smiles: CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
inchi:
InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32)


name: Oxasulfuron
cas: 144651-06-9
chemspiderid: 77958
dtxsid: DTXSID4034364
formula: C17H18N4O6S1
inchikey: IOXAXYHXMLCCJJ-UHFFFAOYSA-N
norman_susdat_id: NS00010347
pubchem_cid: 86443
smiles: Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC3COC3)C
inchi:
InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)


name: Lead acrylate
cas: 14466-01-4
formula: C3H4O2.xPb
inchikey: HALXZLZYPIVRNL-UHFFFAOYSA-N
norman_susdat_id: NS00087655
smiles: [Pb].C=CC(O)=O
inchi:
InChI=1/C3H4O2.Pb.2H/c1-2-3(4)5;;;/h2H,1H2,(H,4,5);;;/q;+4;;/rC3H4O2.H2Pb/c1-2-3(4)5;/h2H,1H2,(H,4,5);1H2/q;+4


name: 2-Heptadecyl-4,4(5H)-oxazoledimethanol
cas: 14466-50-3
chemspiderid: 65594
dtxsid: DTXSID00162778
formula: C22H43N1O3
inchikey: FFJWPXULECNYBC-UHFFFAOYSA-N
norman_susdat_id: NS00024704
pubchem_cid: 72756
smiles: CCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1
inchi:
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-23-22(18-24,19-25)20-26-21/h24-25H,2-20H2,1H3


name: 2-heptadecyl-4-methyl-2-oxazoline-4-methanol
cas: 14466-51-4
formula: C22H43NO2
inchikey: RSDFPCQESXIWFY-UHFFFAOYSA-N
norman_susdat_id: NS00055023
pubchem_cid: 62400
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C22H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23-22(2,19-24)20-25-21/h24H,3-20H2,1-2H3


name: Olmesartan
cas: 144689-24-7
chebiid: CHEBI:48416
chemspiderid: 139674
dtxsid: DTXSID2040571
formula: C24H26N6O3
inchikey: VTRAEEWXHOVJFV-UHFFFAOYSA-N
norman_susdat_id: NS00008999
pubchem_cid: 158781
smiles: CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O
inchi:
InChI=1S/C24H26N6O3/c1-4-7-19-25-21(24(2,3)33)20(23(31)32)30(19)14-15-10-12-16(13-11-15)17-8-5-6-9-18(17)22-26-28-29-27-22/h5-6,8-13,33H,4,7,14H2,1-3H3,(H,31,32)(H,26,27,28,29)


name: Olmesartan medoxomil
cas: 144689-63-4
chebiid: CHEBI:31932
chemspiderid: 115748
dtxsid: DTXSID9045924
formula: C29H30N6O6
inchikey: UQGKUQLKSCSZGY-UHFFFAOYSA-N
norman_susdat_id: NS00008255
pubchem_cid: 130881
smiles: CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C)(C)O
inchi:
InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34)


name: Tritylolmesartan medoxomil
cas: 144690-92-6
chemspiderid: 14059730
dtxsid: DTXSID70162785
formula: C48H44N6O6
inchikey: IJOPLMOXIPGJIJ-UHFFFAOYSA-N
norman_susdat_id: NS00008283
pubchem_cid: 19036162
smiles: CCCc1nc(c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(cc1)-c1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)O
inchi:
InChI=1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-51-52-54(44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3


name: 1H-Imidazole-4-carboxylic acid, 5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl ester
cas: 144690-96-0
chemspiderid: NA
formula: C26H29N3O3
inchikey: PZPSZIYVSFBMGX-UHFFFAOYSA-N
norman_susdat_id: NS00005119
pubchem_cid: 15461993
smiles: CCCc1nc(c(C(=O)OCC)n1Cc1ccc(cc1)-c1ccccc1C#N)C(C)(C)O
inchi:
InChI=1S/C26H29N3O3/c1-5-9-22-28-24(26(3,4)31)23(25(30)32-6-2)29(22)17-18-12-14-19(15-13-18)21-11-8-7-10-20(21)16-27/h7-8,10-15,31H,5-6,9,17H2,1-4H3


name: 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropylamine S-oxide
cas: 1447-71-8
formula: C19H21NOS
inchikey: NBNPVRZHUPMVQS-UHFFFAOYSA-N
norman_susdat_id: NS00044851
pubchem_cid: NA
smiles: O=S1C=2C=CC=CC2C(=CCCN(C)C)C=3C=CC=CC3C1
inchi:
InChI=1/C19H21NOS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-22(21)19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3


name: Hispidulin
cas: 1447-88-7
chebiid: CHEBI:75902
dtxsid: DTXSID30162786
formula: C16H12O6
inchikey: IHFBPDAQLQOCBX-UHFFFAOYSA-N
norman_susdat_id: NS00069992
pubchem_cid: 5281628
smiles: COc1c(O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
inchi:
InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3


name: Telmisartan
cas: 144701-48-4
chebiid: CHEBI:9434
chemspiderid: 59391
dtxsid: DTXSID8023636
formula: C33H30N4O2
inchikey: RMMXLENWKUUMAY-UHFFFAOYSA-N
norman_susdat_id: NS00000398
pubchem_cid: 65999
smiles: n1(c(nc2c1cccc2)c1cc(c2c(n(c(CCC)n2)Cc2ccc(cc2)c2c(cccc2)C(O)=O)c1)C)C
inchi:
InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)


cas: 144702-27-2
formula: C33H29N5
norman_susdat_id: NS00106562
name:
4’-(2-Propyl-4-methyl-6-(1-methylbenzimidazolyl-2-yl)-benzimidazol-1-ylmethyl)biphenyl-2-carbonitril


name: Lactic acid, compound with (S)-3-(1-methylpyrrolidin-2-yl)pyridine (1:1)
cas: 14474-00-1
formula: C10H14N2.C3H6O3
inchikey: VWTHFJXLFGINSW-PPHPATTJSA-N
norman_susdat_id: NS00087680
smiles: CC(O)C(=O)O.CN1CCC[C@H]1c2cccnc2
inchi:
InChI=1/C10H14N2.C3H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2(4)3(5)6/h2,4,6,8,10H,3,5,7H2,1H3;2,4H,1H3,(H,5,6)


name: Flupyrsulfuron-methyl [ISO]
cas: 144740-53-4
chemspiderid: 148951
dtxsid: DTXSID80162796
formula: C15H14F3N5O7S1
inchikey: DTVOKYWXACGVGO-UHFFFAOYSA-N
norman_susdat_id: NS00009509
pubchem_cid: 170354
smiles: COC(=O)c1ccc(nc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1)C(F)(F)F
inchi:
InChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18/h4-6H,1-3H3,(H2,20,21,22,23,25)


name: 5-{[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxy]methyl}-1H-1,2,3-triazole
cas: 1447923-23-0
dtxsid: DTXSID30896115
formula: C11H8F13N3O
inchikey: ISNNMOKXAQYECI-UHFFFAOYSA-N
norman_susdat_id: NS00110079
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOCc1Nnnc1
inchi:
InChI=1S/C11H8F13N3O/c12-6(13,1-2-28-4-5-3-25-27-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h3H,1-2,4H2,(H,25,26,27)


name: methyl cholate
cas: 1448-36-8
chemspiderid: 244513
formula: C25H42O5
inchikey: DLYVTEULDNMQAR-UHFFFAOYSA-N
norman_susdat_id: NS00004857
pubchem_cid: 277782
smiles: COC(=O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
inchi:
InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3


name: Diethyl 4,4'-[hexamethylenebis(oxy)]dibenzimidate
cas: 1448-62-0
dtxsid: DTXSID60932414
formula: C24H32N2O4
inchikey: MWWKZZZOWHMXBG-UHFFFAOYSA-N
norman_susdat_id: NS00044852
pubchem_cid: 74053
smiles: N=C(OCC)C1=CC=C(OCCCCCCOC2=CC=C(C=C2)C(=N)OCC)C=C1
inchi:
InChI=1/C24H32N2O4/c1-3-27-23(25)19-9-13-21(14-10-19)29-17-7-5-6-8-18-30-22-15-11-20(12-16-22)24(26)28-4-2/h9-16,25-26H,3-8,17-18H2,1-2H3


name: Dipotassium titanium oxide dioxalate
cas: 14481-26-6
formula: C4O9Ti.2K
inchikey: UHWHMHPXHWHWPX-UHFFFAOYSA-J
norman_susdat_id: NS00086762
smiles: [K+].[K+].[O-]C(=O)C(=O)O[Ti](=O)OC(=O)C(=O)[O-]
inchi:
InChI=1/2C2H2O4.2K.O.Ti/c2*3-1(4)2(5)6;;;;/h2*(H,3,4)(H,5,6);;;;/q;;2*+1;;+2/p-4/rC4H2O9Ti.2K/c5-1(6)3(9)12-14(11)13-4(10)2(7)8;;/h(H,5,6)(H,7,8);;/q;2*+1/p-2


name: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, 2-aminobenzoate
cas: 14481-52-8
chebiid: CHEBI:173944
chemspiderid: 55638
formula: C17H23N1O2
inchikey: UHUIKPAIJHOKNF-UHFFFAOYSA-N
norman_susdat_id: NS00021662
pubchem_cid: 61746
smiles: CC1=CCC(CC1)C(C)(C)OC(=O)c2ccccc2N
inchi:
InChI=1S/C17H23NO2/c1-12-8-10-13(11-9-12)17(2,3)20-16(19)14-6-4-5-7-15(14)18/h4-8,13H,9-11,18H2,1-3H3/t13-/m1/s1


name: Butanoic acid, 4-(octadecylamino)-4-oxo-2-sulfo-, sodium salt (1:2)
cas: 14481-60-8
chemspiderid: 77334
dtxsid: DTXSID40889634
formula: C22H43N1O6S1
inchikey: KVQVUCIQVFGPMS-UHFFFAOYSA-N
norman_susdat_id: NS00013632
pubchem_cid: 85743
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCCCNC(=O)CC(C([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C22H43NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h20H,2-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphate
cas: 14482-97-4
formula: C16H31N2O3.C12H25O4S.Na
inchikey: CBRIUKZILXTQDQ-UHFFFAOYSA-N
norman_susdat_id: NS00086763
smiles: [Na+].CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
inchi:
InChI=1/C16H30N2O3.C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-15-17-10-11-18(15,12-13-19)14-16(20)21;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h19H,2-14H2,1H3;2-12H2,1H3,(H,13,14,15);/q;;+1


cas: 1448232-80-1
formula: C30H42N8O3
inchikey: QKDCLUARMDUUKN-XMMPIXPASA-N
norman_susdat_id: NS00073604
pubchem_cid: 71667668
smiles: C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1
name:
6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide

inchi:
InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1


name: Phenol, 3-[1-hydroxy-2-[(methylamino)methyl]cyclohexyl]-
cas: 144830-18-2
chemspiderid: 3649419
dtxsid: DTXSID00403416
formula: C14H21N1O2
inchikey: CJXNQQLTDXASSR-UHFFFAOYSA-N
norman_susdat_id: NS00000949
pubchem_cid: 4450329
smiles: C1(C(CNC)CCCC1)(O)c2cc(O)ccc2
inchi:
InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3


name: Deflazacort
cas: 14484-47-0
chebiid: CHEBI:135720
chemspiderid: 164861
dtxsid: DTXSID9020378
formula: C25H31N1O6
inchikey: FBHSPRKOSMHSIF-GRMWVWQJSA-N
norman_susdat_id: NS00004176
pubchem_cid: 189821
smiles: CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C
inchi:
InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1


name: Lithium tetraphenylborate(1-)
cas: 14485-20-2
formula: C24H20B.Li
inchikey: FTYODSBVKDFUJZ-UHFFFAOYSA-N
norman_susdat_id: NS00086777
smiles: [Li+].c1ccc(cc1)[B-](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20B.Li/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;/q-1;+1


name: 9,10-Dihydro-9,10-dioxoanthracene-1,6-disulphonic acid
cas: 14486-58-9
chemspiderid: 76202
dtxsid: DTXSID50162824
formula: C14H8O8S2
inchikey: SROYVYGZVXMVOA-UHFFFAOYSA-N
norman_susdat_id: NS00024709
pubchem_cid: 84473
smiles: OS(=O)(=O)c1ccc2C(=O)c3c(cccc3C(=O)c2c1)S(=O)(=O)O
inchi:
InChI=1S/C14H8O8S2/c15-13-9-2-1-3-11(24(20,21)22)12(9)14(16)8-5-4-7(6-10(8)13)23(17,18)19/h1-6H,(H,17,18,19)(H,20,21,22)


name: 5-(Heptafluoropropyl)uridine
cas: 144862-38-4
dtxsid: DTXSID30896736
formula: C12H11F7N2O6
inchikey: FAODJOVFCLFVEG-UAKXSSHOSA-N
norman_susdat_id: NS00110140
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H11F7N2O6/c13-10(14,11(15,16)12(17,18)19)3-1-21(9(26)20-7(3)25)8-6(24)5(23)4(2-22)27-8/h1,4-6,8,22-24H,2H2,(H,20,25,26)/t4-,5-,6-,8-/m1/s1


name: 2'-Deoxy-5-(tridecafluorohexyl)uridine
cas: 144862-39-5
dtxsid: DTXSID90896737
formula: C15H11F13N2O5
inchikey: JJXLHDOGDUREHR-RRKCRQDMSA-N
norman_susdat_id: NS00112202
smiles: OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H11F13N2O5/c16-10(17,11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28)4-2-30(9(34)29-8(4)33)7-1-5(32)6(3-31)35-7/h2,5-7,31-32H,1,3H2,(H,29,33,34)/t5-,6+,7+/m0/s1


name: 5-[1,2,2,2-Tetrafluoro-1-(heptafluoropropoxy)ethyl]uridine
cas: 144862-40-8
dtxsid: DTXSID90896752
formula: C14H11F11N2O7
inchikey: ULJNEXUPBGJFCH-VLCYITPWSA-N
norman_susdat_id: NS00112203
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C14H11F11N2O7/c15-10(12(18,19)20,34-14(24,25)11(16,17)13(21,22)23)3-1-27(9(32)26-7(3)31)8-6(30)5(29)4(2-28)33-8/h1,4-6,8,28-30H,2H2,(H,26,31,32)/t4-,5-,6-,8-,10?/m1/s1


name: Resiquimod
cas: 144875-48-9
chebiid: CHEBI:36706
dtxsid: DTXSID7040603
formula: C17H22N4O2
inchikey: BXNMTOQRYBFHNZ-UHFFFAOYSA-N
norman_susdat_id: NS00071828
pubchem_cid: 159603
smiles: CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
inchi:
InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)


name: Sodium (Z)-docos-13-enoate
cas: 14488-85-8
formula: C22H42O2.Na
inchikey: POZWVHISDXHZLV-KVVVOXFISA-M
norman_susdat_id: NS00087170
smiles: [Na+].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C22H42O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/q;+1/p-1


name: CS 722
cas: 144886-17-9
chemspiderid: 117117
dtxsid: DTXSID80162832
formula: C16H20Cl2N2O4
inchikey: KIWUOCZHZROUNT-BTQNPOSSSA-N
norman_susdat_id: NS00000756
pubchem_cid: 132659
smiles: C1COCCN1CC(CN2C(=O)C(=C(O2)C3=CC=CC=C3)Cl)O.Cl
inchi:
InChI=1S/C16H19ClN2O4.ClH/c17-14-15(12-4-2-1-3-5-12)23-19(16(14)21)11-13(20)10-18-6-8-22-9-7-18;/h1-5,13,20H,6-11H2;1H/t13-;/m1./s1


name: (3ß,18a,20ß)-3-hydroxy-11-oxoolean-12-en-29-oic acid
cas: 1449-05-4
formula: C30H46O4
inchikey: MPDGHEJMBKOTSU-UPUJGSTDSA-N
norman_susdat_id: NS00081166
inchi:
InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)

smiles:
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@H]5C[C@@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O


name: Benzyltriphenylphosphonium bromide
cas: 1449-46-3
formula: C25H22P.Br
inchikey: WTEPWWCRWNCUNA-UHFFFAOYSA-M
norman_susdat_id: NS00081134
smiles: [Br-].C(c1ccccc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C25H22P.BrH/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;1H/q+1;/p-1


name: Tetracyclohexylstannane
cas: 1449-55-4
dtxsid: DTXSID60162835
formula: C24H44Sn
inchikey: JUISPCSEIXBMNI-UHFFFAOYSA-N
norman_susdat_id: NS00045344
pubchem_cid: NA
smiles: C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)C4CCCCC4
inchi:
InChI=1/4C6H11.Sn/c4*1-2-4-6-5-3-1;/h4*1H,2-6H2;/rC24H44Sn/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/h21-24H,1-20H2


name: 1-[2-oxo-2-[[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]pyridinium chloride
cas: 14492-68-3
dtxsid: DTXSID6051726
formula: C27H47N2O3
inchikey: LNEXUGPWTFNCSO-UHFFFAOYSA-N
norman_susdat_id: NS00054180
pubchem_cid: 61747
smiles: [Cl-].O=C(OCCNC(=O)C[N+]=1C=CC=CC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H46N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27(31)32-24-21-28-26(30)25-29-22-18-16-19-23-29;/h16,18-19,22-23H,2-15,17,20-21,24-25H2,1H3;1H


name: Propanamide, 3,3'-[[(4-aminophenyl)sulfonyl]imino]bis-
cas: 14497-03-1
chemspiderid: 76208
dtxsid: DTXSID5065776
formula: C12H18N4O4S1
inchikey: ZHZLFUXAZNZHIH-UHFFFAOYSA-N
norman_susdat_id: NS00024714
pubchem_cid: 84479
smiles: NC(=O)CCN(CCC(=O)N)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C12H18N4O4S/c13-9-1-3-10(4-2-9)21(19,20)16(7-5-11(14)17)8-6-12(15)18/h1-4H,5-8,13H2,(H2,14,17)(H2,15,18)


name: CYM-5520
cas: 1449747-00-5
chemspiderid: 34975862
formula: C21H19N3O2
inchikey: FMYGNANMYYHBSU-UHFFFAOYSA-N
norman_susdat_id: NS00016781
pubchem_cid: 25110470
smiles: CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C#N
inchi:
InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3


name: Repinotan
cas: 144980-29-0
dtxsid: DTXSID80162857
formula: C21H24N2O4S
inchikey: YGYBFMRFXNDIPO-QGZVFWFLSA-N
norman_susdat_id: NS00068659
pubchem_cid: 198757
smiles: O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1
inchi:
InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1


name: Oxymesterone
cas: 145-12-0
chebiid: CHEBI:34903
dtxsid: DTXSID80878527
formula: C20H30O3
inchikey: RXXBBHGCAXVBES-XMUHMHRVSA-N
norman_susdat_id: NS00041509
pubchem_cid: 72061
smiles: O=C1C(O)=C2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1
inchi:
InChI=1/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3


name: Pregnenolone
cas: 145-13-1
chebiid: CHEBI:16581
chemspiderid: 9997901
dtxsid: DTXSID1036541
formula: C21H32O2
inchikey: ORNBQBCIOKFOEO-QGVNFLHTSA-N
norman_susdat_id: NS00014904
pubchem_cid: 8955
smiles: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
inchi:
InChI=1S/C21H32O2/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/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1


name: (20S)-20-hydroxypregn-4-en-3-one
cas: 145-14-2
chebiid: CHEBI:28453
formula: C21H32O2
inchikey: RWBRUCCWZPSBFC-RXRZZTMXSA-N
norman_susdat_id: NS00079448
smiles: C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3


name: 4-Pregnen-20b-ol-3-one, 20b-Hydroxyprogesterone
cas: 145-15-3
chemspiderid: 218808
formula: C21H32O2
inchikey: RWBRUCCWZPSBFC-UHFFFAOYSA-N
norman_susdat_id: NS00004400
pubchem_cid: 249866
smiles: CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3


name: Sodium dehydrocholate
cas: 145-41-5
formula: C24H34O5.Na
inchikey: FKJIJBSJQSMPTI-CAOXKPNISA-M
norman_susdat_id: NS00079069
smiles: [Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O
inchi:
InChI=1/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1


name: Sodium N-choloyltaurinate
cas: 145-42-6
chebiid: CHEBI:36276
formula: C26H45NO7S.Na
inchikey: JAJWGJBVLPIOOH-IZYKLYLVSA-M
norman_susdat_id: NS00079070
inchi:
InChI=1/C26H45NO7S.Na/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1

smiles:
[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C


name: 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-
cas: 145-48-2
chemspiderid: 8616
dtxsid: DTXSID7059729
formula: C14H8O7S1
inchikey: CCQSBGJULPBARL-UHFFFAOYSA-N
norman_susdat_id: NS00020586
pubchem_cid: 8960
smiles: Oc1c2C(=O)c3c(cccc3)C(=O)c2c(O)c(c1)S(=O)(=O)O
inchi:
InChI=1S/C14H8O7S/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17/h1-5,15,18H,(H,19,20,21)


name: 1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-
cas: 145-50-6
chemspiderid: 60683
dtxsid: DTXSID6059730
formula: C27H18O2
inchikey: VDDWRTZCUJCDJM-UHFFFAOYSA-N
norman_susdat_id: NS00021665
pubchem_cid: 67352
smiles: Oc1c2ccccc2c(cc1)/C(=C/1C=CC(=O)c2c1cccc2)/c1ccccc1
inchi:
InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+


name: Propyromazine bromide
cas: 145-54-0
chebiid: CHEBI:145672
formula: C20H23N2OS
inchikey: OANVFVBYPNXRLD-UHFFFAOYSA-M
norman_susdat_id: NS00041313
pubchem_cid: 71493
smiles: [Br-].O=C(N1C=2C=CC=CC2SC=3C=CC=CC31)C(C)[N+]4(C)CCCC4
inchi:
InChI=1/C20H23N2OS.BrH/c1-15(22(2)13-7-8-14-22)20(23)21-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)21;/h3-6,9-12,15H,7-8,13-14H2,1-2H3;1H/q+1;/p-1


name: Suramin
cas: 145-63-1
chebiid: CHEBI:45906
chemspiderid: 5168
dtxsid: DTXSID1046344
formula: C51H40N6O23S6
inchikey: FIAFUQMPZJWCLV-UHFFFAOYSA-N
norman_susdat_id: NS00024749
pubchem_cid: 4261196
inchi:
InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)

smiles:
Cc1c(NC(=O)c2cc(NC(=O)Nc3cccc(c3)C(=O)Nc3c(C)ccc(c3)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)ccc2)cc(cc1)C(=O)Nc1ccc(c2cc(cc(c12)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O


name: 1,1,1-trimethyl-2,2,2-triphenyldisilane
cas: 1450-18-6
dtxsid: DTXSID7061699
formula: C21H24Si2
inchikey: BSFLZHNGSJZLQC-UHFFFAOYSA-N
norman_susdat_id: NS00044779
pubchem_cid: 74058
smiles: C=1C=CC(=CC1)[Si](C=2C=CC=CC2)(C=3C=CC=CC3)[Si](C)(C)C
inchi:
InChI=1/C21H24Si2/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3


name: Hexaphenyldisilane
cas: 1450-23-3
dtxsid: DTXSID9061700
formula: C36H30Si2
inchikey: ZMHATUZXFSOVSC-UHFFFAOYSA-N
norman_susdat_id: NS00044127
pubchem_cid: 74059
smiles: C=1C=CC(=CC1)[Si](C=2C=CC=CC2)(C=3C=CC=CC3)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C36H30Si2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H


name: Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
cas: 1450-63-1
chemspiderid: 66678
dtxsid: DTXSID4061701
formula: C28H22
inchikey: KLCLIOISYBHYDZ-UHFFFAOYSA-N
norman_susdat_id: NS00024717
pubchem_cid: 74060
smiles: C(=C(c1ccccc1)c1ccccc1)C=C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H22/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H


name: Propoxycarbazone
cas: 145026-81-9
chemspiderid: 154427
dtxsid: DTXSID8037704
formula: C15H18N4O7S1
inchikey: JTHMVYBOQLDDIY-UHFFFAOYSA-N
norman_susdat_id: NS00008432
pubchem_cid: 177355
smiles: CCCOc1nn(C(=O)NS(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C
inchi:
InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)


name: Carvyl propionate, cis-
cas: 145032-50-4
chemspiderid: 599544
formula: C13H20O2
inchikey: DFVXNZOMAOGTBL-RYUDHWBXSA-N
norman_susdat_id: NS00113998
pubchem_cid: 688051
smiles: CCC(O[C@H]1C[C@H](CC=C1C)C(C)=C)=O
inchi:
InChI=1S/C13H20O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h6,11-12H,2,5,7-8H2,1,3-4H3/t11-,12-/m0/s1


name: Tritoqualine
cas: 14504-73-5
chebiid: CHEBI:135802
chemspiderid: 65119
formula: C26H32N2O8
inchikey: IRGJVQIJENCTQF-UHFFFAOYSA-N
norman_susdat_id: NS00003394
pubchem_cid: 72145
smiles: CCOc1c2C(OC(=O)c2c(N)c(OCC)c1OCC)C1N(C)CCc2cc3OCOc3c(OC)c12
inchi:
InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3


name: Aluminium silicate(3:2)
cas: 14504-95-1
formula: Al.3/2H2O3Si
inchikey: GFJCQMBZPQGQQU-UHFFFAOYSA-N
norman_susdat_id: NS00087687
smiles: [AlH3].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/3Al.2O3Si.9H/c;;;2*1-4(2)3;;;;;;;;;/q3*+3;2*-2;;;;;;;;;/r3AlH3.2O3Si/c;;;2*1-4(2)3/h3*1H3;;/q3*+3;2*-2


name: Candesartan cilexetil
cas: 145040-37-5
chebiid: CHEBI:3348
chemspiderid: 2444
dtxsid: DTXSID5020239
formula: C33H34N6O6
inchikey: GHOSNRCGJFBJIB-UHFFFAOYSA-N
norman_susdat_id: NS00006138
pubchem_cid: 2540
smiles: CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
inchi:
InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38)


name: Methanone, 1,1'-[(2,4,4-trimethylpentyl)phosphinylidene]bis[1-(2,6-dimethoxyphenyl)-
cas: 145052-34-2
chemspiderid: 58191601
dtxsid: DTXSID30869945
formula: C26H35O7P1
inchikey: LFOXEOLGJPJZAA-UHFFFAOYSA-N
norman_susdat_id: NS00020477
pubchem_cid: 164459
smiles: P(C[C@@H](CC(C)(C)C)C)(C(c1c(cccc1OC)OC)=O)(C(c1c(cccc1OC)OC)=O)=O
inchi:
InChI=1S/C26H35O7P/c1-17(15-26(2,3)4)16-34(29,24(27)22-18(30-5)11-9-12-19(22)31-6)25(28)23-20(32-7)13-10-14-21(23)33-8/h9-14,17H,15-16H2,1-8H3/t17-/m1/s1


name: (13S-cis)-13-ethyl-7,11,12,13,16,17-hexahydro-3-methoxy-6H-cyclopenta[a]phenantren-17-ol
cas: 14507-45-0
formula: C20H24O2
inchikey: ZJQGGFJSKJQCBD-UHFFFAOYSA-N
norman_susdat_id: NS00054237
pubchem_cid: 85745
smiles: OC1CC=C2C3=C(C=4C=CC(OC)=CC4CC3)CCC21CC
inchi:
InChI=1/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12,19,21H,3-4,6,9-11H2,1-2H3


name: 13-ethyl-3-methoxygona-2,5(10)-dien-17Î²-ol
cas: 14507-49-4
chemspiderid: 77337
formula: C20H30O2
inchikey: BIUKNRSGOGLWJB-UHFFFAOYSA-N
norman_susdat_id: NS00002728
pubchem_cid: 85746
smiles: CCC12CC(O)CC1C1CCC3=C(CC=C(C3)OC)C1CC2
inchi:
InChI=1S/C20H30O2/c1-3-20-9-8-17-16-7-5-15(22-2)10-13(16)4-6-18(17)19(20)11-14(21)12-20/h5,14,17-19,21H,3-4,6-12H2,1-2H3


name: 13-ethyl-3-methoxy-18,19-dinor-17a-pregna-2,5(10)-dien-20-yn-17-ol
cas: 14507-51-8
formula: C22H30O2
inchikey: CQXCBGIFQZKDED-AANPDWTMSA-N
norman_susdat_id: NS00087689
smiles: CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CC[C@@]2(O)C#C
inchi:
InChI=1/C22H30O2/c1-4-21-12-10-18-17-9-7-16(24-3)14-15(17)6-8-19(18)20(21)11-13-22(21,23)5-2/h2,7,18-20,23H,4,6,8-14H2,1,3H3


name: 16-acetylandrosta-4,16-dien-3-one
cas: 14508-12-4
dtxsid: DTXSID20932490
formula: C21H28O2
inchikey: CCRSVRNLGHVPMG-IFLJBQAJSA-N
norman_susdat_id: NS00053796
pubchem_cid: 11324427
smiles: O=C1C=C2CCC3C4CC(=CC4(C)CCC3C2(C)CC1)C(=O)C
inchi:
InChI=1/C21H28O2/c1-13(22)14-10-19-17-5-4-15-11-16(23)6-9-21(15,3)18(17)7-8-20(19,2)12-14/h11-12,17-19H,4-10H2,1-3H3


cas: 1450824-22-2
formula: C28H30F2N6O8S
inchikey: YGIDGBAHDZEYMT-MQFIMZJJSA-N
norman_susdat_id: NS00073621
pubchem_cid: 73774610
name:
4-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-2-({4-[4-(3-fluorophenyl)-1h-1,2,3-triazol-1-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}sulfanyl)-6-(hydroxymethyl)oxane-3,5-diol

inchi:
InChI=1S/C28H30F2N6O8S/c29-15-5-1-3-13(7-15)17-9-35(33-31-17)21-23(39)19(11-37)43-27(25(21)41)45-28-26(42)22(24(40)20(12-38)44-28)36-10-18(32-34-36)14-4-2-6-16(30)8-14/h1-10,19-28,37-42H,11-12H2/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1

smiles:
OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O


name: N,N'-BIS(2-METHOXYETHOXYCARBONYL)-4-METHYL-1,3-PHENYLENEDIAMINE
cas: 145098-57-3
chemspiderid: 4302389
formula: C15H22N2O6
inchikey: KRAWNIRAZIFPLS-UHFFFAOYSA-N
norman_susdat_id: NS00003288
pubchem_cid: 5128037
smiles: COCCOC(=O)Nc1ccc(C)c(NC(=O)OCCOC)c1
inchi:
InChI=1S/C15H22N2O6/c1-11-4-5-12(16-14(18)22-8-6-20-2)10-13(11)17-15(19)23-9-7-21-3/h4-5,10H,6-9H2,1-3H3,(H,16,18)(H,17,19)


name: Trifloxysulfuron
cas: 145099-21-4
chemspiderid: 8131496
dtxsid: DTXSID0043971
formula: C14H14F3N5O6S1
inchikey: AIMMSOZBPYFASU-UHFFFAOYSA-N
norman_susdat_id: NS00015297
pubchem_cid: 9955886
smiles: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC
inchi:
InChI=1S/C14H14F3N5O6S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23)


name: UR-144 5-pentanoic acid metabolite
cas: 1451369-33-7
chemspiderid: 29341860
formula: C21H27N1O3
inchikey: UUTHIAPDCFFQKQ-UHFFFAOYSA-N
norman_susdat_id: NS00017242
pubchem_cid: 86268508
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCC(=O)O)C
inchi:
InChI=1S/C21H27NO3/c1-20(2)19(21(20,3)4)18(25)15-13-22(12-8-7-11-17(23)24)16-10-6-5-9-14(15)16/h5-6,9-10,13,19H,7-8,11-12H2,1-4H3,(H,23,24)


name: Disodium 4,4'-[(2,4-diamino-1,3-phenylene)bis(azo)]bis[benzenesulphonate]
cas: 14515-08-3
formula: C18H16N6O6S2
inchikey: QUZGSNHKMPHMEI-UHFFFAOYSA-L
norman_susdat_id: NS00053861
pubchem_cid: 146170
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N)C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])=C2N)C=C1
inchi:
InChI=1/C18H16N6O6S2.2Na/c19-15-9-10-16(23-21-11-1-5-13(6-2-11)31(25,26)27)17(20)18(15)24-22-12-3-7-14(8-4-12)32(28,29)30;;/h1-10H,19-20H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Tegaserod
cas: 145158-71-0
chebiid: CHEBI:51043
chemspiderid: 10609889
dtxsid: DTXSID6045955
formula: C16H23N5O1
inchikey: IKBKZGMPCYNSLU-RGVLZGJSSA-N
norman_susdat_id: NS00009294
pubchem_cid: NA
smiles: CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12
inchi:
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+


name: (butylamine)[[2,2-thiobis[4-(1,1,3,3-tetramethylbutyl)phenolato]](2-)-O,O,S]nickel
cas: 14516-71-3
dtxsid: DTXSID9065780
formula: C32H51NNiO2S
inchikey: DPLLDVMBMPQDCO-UHFFFAOYSA-L
norman_susdat_id: NS00112702
smiles: [Ni++].CCCCN.CC(C)(C)CC(C)(C)C1=CC=C([O-])C(SC2=CC(=CC=C2[O-])C(C)(C)CC(C)(C)C)=C1
inchi:
InChI=1S/C28H42O2S.C4H11N.Ni/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6;1-2-3-4-5;/h11-16,29-30H,17-18H2,1-10H3;2-5H2,1H3;/q;;+2/p-2


name: 2,3-dihydro-1,3-dioxo-1H-Perylo[3,4-cd]pyridine-8,9-dicarboxylic acid
cas: 1451734-05-6
chemspiderid: NA
formula: C24H11N1O6
inchikey: UDSOBQUPZDBBNO-UHFFFAOYSA-N
norman_susdat_id: NS00009751
pubchem_cid: 18699150
smiles: OC(=O)c1ccc2c3ccc4c5c(ccc(c6ccc(C(O)=O)c1c26)c35)c(=O)[nH]c4=O
inchi:
InChI=1S/C24H11NO6/c26-21-13-5-1-9-11-3-7-15(23(28)29)20-16(24(30)31)8-4-12(18(11)20)10-2-6-14(22(27)25-21)19(13)17(9)10/h1-8H,(H,28,29)(H,30,31)(H,25,26,27)


name: Methyl 2,4-dichloro-3-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]benzoate
cas: 1451750-40-5
dtxsid: DTXSID10896254
formula: C12H5Cl2F9O5S
inchikey: ZQIQNJHMQQDDOD-UHFFFAOYSA-N
norman_susdat_id: NS00109403
smiles: COC(=O)c1ccc(Cl)c(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1Cl
inchi:
InChI=1S/C12H5Cl2F9O5S/c1-27-8(24)4-2-3-5(13)7(6(4)14)28-29(25,26)12(22,23)10(17,18)9(15,16)11(19,20)21/h2-3H,1H3


name: Proxymetacaine hydrochloride
cas: 1452-00-0
formula: C16H26N2O3.ClH
inchikey: BFUUJUGQJUTPAF-UHFFFAOYSA-N
norman_susdat_id: NS00082590
smiles: Cl.CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC
inchi:
InChI=1/C16H26N2O3.ClH/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3;/h7-8,12H,4-6,9-11,17H2,1-3H3;1H


name: ETORPHINE
cas: 14521-96-1
chebiid: CHEBI:4912
dtxsid: DTXSID40878669
formula: C25H33NO4
inchikey: CAHCBJPUTCKATP-FAWZKKEFSA-N
norman_susdat_id: NS00068005
smiles: CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1OC4=C(O)C=CC5=C4[C@]21CCN(C)[C@@H]3C5
inchi:
InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1


name: Forasartan
cas: 145216-43-9
chebiid: CHEBI:141552
dtxsid: DTXSID70162942
formula: C23H28N8
inchikey: YONOBYIBNBCDSJ-UHFFFAOYSA-N
norman_susdat_id: NS00069953
pubchem_cid: 132706
smiles: CCCCc1nc(CCCC)n(Cc2ccc(-c3ccccc3-c3nn[nH]n3)nc2)n1
inchi:
InChI=1S/C23H28N8/c1-3-5-11-21-25-22(12-6-4-2)31(28-21)16-17-13-14-20(24-15-17)18-9-7-8-10-19(18)23-26-29-30-27-23/h7-10,13-15H,3-6,11-12,16H2,1-2H3,(H,26,27,29,30)


name: {8-Chloro-6-[2-chloro(~2~H_4_)phenyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl}methanol
cas: 145225-01-0
dtxsid: DTXSID60857850
formula: C17H8D4Cl2N4O
inchikey: BHUYWUDMVCLHND-RHQRLBAQSA-N
norman_susdat_id: NS00093641
smiles: [2H]C1=C([2H])C([2H])=C(C(Cl)=C1[2H])C1=NCC2=NN=C(CO)N2C2=C1C=C(Cl)C=C2
inchi:
InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2/i1D,2D,3D,4D


name: N-2-naphthyl-L-glutamine
cas: 14525-44-1
dtxsid: DTXSID50932544
formula: C15H16N2O3
inchikey: LRSCKKDFEZPTFH-UHFFFAOYSA-N
norman_susdat_id: NS00053391
pubchem_cid: 85749
smiles: O=C(O)C(NC=1C=CC=2C=CC=CC2C1)CCC(=O)N
inchi:
InChI=1/C15H16N2O3/c16-14(18)8-7-13(15(19)20)17-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,17H,7-8H2,(H2,16,18)(H,19,20)


name: Tris(dibutyldithiocarbamato-S,S')iron
cas: 14526-32-0
formula: C27H54FeN3S6
inchikey: QGVNKIAXCPDWKJ-UHFFFAOYSA-K
norman_susdat_id: NS00086794
smiles: CCCCN(CCCC)C(=S)S[Fe](SC(=S)N(CCCC)CCCC)SC(=S)N(CCCC)CCCC
inchi:
InChI=1/3C9H19NS2.Fe/c3*1-3-5-7-10(9(11)12)8-6-4-2;/h3*3-8H2,1-2H3,(H,11,12);/q;;;+3/p-3/rC27H54FeN3S6/c1-7-13-19-29(20-14-8-2)25(32)35-28(36-26(33)30(21-15-9-3)22-16-10-4)37-27(34)31(23-17-11-5)24-18-12-6/h7-24H2,1-6H3


name: (8a,9R)-9-chloro-6'-methoxycinchonan
cas: 14528-48-4
dtxsid: DTXSID40932553
formula: C20H23ClN2O
inchikey: KQRKDUSVAAFOOA-WZBLMQSHSA-N
norman_susdat_id: NS00054712
pubchem_cid: 84495
smiles: ClC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4
inchi:
InChI=1/C20H23ClN2O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12H2,2H3


name: (8a)-6'-methoxycinchonan
cas: 14528-51-9
formula: C20H24N2O
inchikey: VZRLVENHGDTDDU-ZOBUZTSGSA-N
norman_susdat_id: NS00053894
pubchem_cid: 84496
smiles: N=1C=CC(=C2C=C(OC)C=CC12)CC3N4CCC(C3)C(C=C)C4
inchi:
InChI=1/C20H24N2O/c1-3-14-13-22-9-7-15(14)10-17(22)11-16-6-8-21-20-5-4-18(23-2)12-19(16)20/h3-6,8,12,14-15,17H,1,7,9-11,13H2,2H3


name: 6'-methoxycinchonan-9-one
cas: 14528-53-1
formula: C20H22N2O2
inchikey: SRFCUPVBYYAMIL-CKFHNAJUSA-N
norman_susdat_id: NS00086890
smiles: COc1ccc2nccc(C(=O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
inchi:
InChI=1/C20H22N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19H,1,7,9-10,12H2,2H3


name: 5-Benzyloxygramine
cas: 1453-97-0
chemspiderid: 66449
dtxsid: DTXSID40162974
formula: C18H20N2O1
inchikey: POTVAILTNPOQJH-UHFFFAOYSA-N
norman_susdat_id: NS00024734
pubchem_cid: 73814
smiles: C[NH+](C)Cc1c[nH]c2c1cc(OCc1ccccc1)cc2
inchi:
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3


name: Dibutyl N,N'-1,2-ethanediylbis(N-(2-butoxy-2-oxoethyl)glycinate)
cas: 14531-12-5
chemspiderid: 76227
dtxsid: DTXSID20162977
formula: C26H48N2O8
inchikey: XRMPIBMLBZUBIZ-UHFFFAOYSA-N
norman_susdat_id: NS00024726
pubchem_cid: 84500
smiles: CCCCOC(=O)CN(CCN(CC(=O)OCCCC)CC(=O)OCCCC)CC(=O)OCCCC
inchi:
InChI=1S/C26H48N2O8/c1-5-9-15-33-23(29)19-27(20-24(30)34-16-10-6-2)13-14-28(21-25(31)35-17-11-7-3)22-26(32)36-18-12-8-4/h5-22H2,1-4H3


name: Dilithium N,N'-ethylenebis[N-(carboxymethyl)aminoacetate]
cas: 14531-56-7
formula: C10H16N2O8.2Li
inchikey: RDSDRBIJHLVNSE-UHFFFAOYSA-L
norman_susdat_id: NS00086444
smiles: [Li]OC(=O)CN(CCN(CC(=O)O)CC(=O)O[Li])CC(=O)O
inchi:
InChI=1/C10H16N2O8.2Li/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*+1/p-2


name: 17B-hydroxyestra-4,6-diene-3-one
cas: 14531-84-1
chemspiderid: 24775729
formula: C18H24O2
inchikey: HFLHHQWDPZNOPI-IZPLOLCNSA-N
norman_susdat_id: NS00011478
pubchem_cid: 14752703
smiles: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,4,10,13-17,20H,3,5-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1


name: (17beta)-17-Hydroxy-17-methylestra-4,9-dien-3-one
cas: 14531-89-6
chebiid: CHEBI:167840
chemspiderid: 29364987
dtxsid: DTXSID70726902
formula: C19H26O2
inchikey: RDJBOAMEIJEKEY-XWSJACJDSA-N
norman_susdat_id: NS00018617
pubchem_cid: 57495136
smiles: CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(C)O
inchi:
InChI=1S/C19H26O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,16-17,21H,3-10H2,1-2H3/t16-,17+,18+,19+/m1/s1


name: 3,4-Dicaffeoylquinic acid
cas: 14534-61-3
chebiid: CHEBI:5995
formula: C25H24O12
inchikey: UFCLZKMFXSILNL-PSEXTPKNSA-N
norman_susdat_id: NS00097363
smiles: C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O
inchi:
InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1


name: Adenosine-5'-Pentaphosphate
cas: 14535-90-1
chebiid: CHEBI:40096
dtxsid: DTXSID40932578
formula: C10H18N5O19P5
inchikey: WYJWVZZCMBUPSP-KQYNXXCUSA-N
norman_susdat_id: NS00072797
pubchem_cid: 193491
inchi:
InChI=1S/C10H18N5O19P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(30-10)1-29-36(21,22)32-38(25,26)34-39(27,28)33-37(23,24)31-35(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O


name: Cerium(3+) stearate
cas: 14536-00-6
formula: C18H36O2.1/3Ce
inchikey: BTVVNGIPFPKDHO-UHFFFAOYSA-K
norman_susdat_id: NS00087456
smiles: [Ce+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Ce/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: Glufast
cas: 145375-43-5
chebiid: CHEBI:135349
dtxsid: DTXSID4048303
formula: C19H25NO3
inchikey: WPGGHFDDFPHPOB-BBWFWOEESA-N
norman_susdat_id: NS00068476
pubchem_cid: 121891
smiles: O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1
inchi:
InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1


name: 2-(beta,beta-Diethoxycarbonylphenethyl)pyridinium chloride
cas: 1454-12-2
chemspiderid: 66450
dtxsid: DTXSID40163002
formula: C19H21N1O4
inchikey: WFPAMNMQXMJMLB-UHFFFAOYSA-N
norman_susdat_id: NS00024735
pubchem_cid: NA
smiles: [Cl-].CCOC(=O)C(Cc1ccccn1)(C(=O)OCC)c1ccccc1.[H+]
inchi:
InChI=1S/C19H21NO4/c1-3-23-17(21)19(18(22)24-4-2,15-10-6-5-7-11-15)14-16-12-8-9-13-20-16/h5-13H,3-4,14H2,1-2H3


name: Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
cas: 1454-53-1
formula: C15H19NO3
inchikey: YPFMNHZRNXPYBG-UHFFFAOYSA-N
norman_susdat_id: NS00044128
pubchem_cid: 102624
smiles: Cl.O=C(OCC)C1C(=O)CCN(CC=2C=CC=CC2)C1
inchi:
InChI=1/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[m-(vinylsulphonyl)anilino]anthracene-2-sulphonate
cas: 14541-90-3
dtxsid: DTXSID30884759
formula: C22H16N2O7S2
inchikey: ANOULJGZTVOIFB-UHFFFAOYSA-M
norman_susdat_id: NS00053392
pubchem_cid: 161811
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=CC(=C4)S(=O)(=O)C=C
inchi:
InChI=1/C22H16N2O7S2.Na/c1-2-32(27,28)13-7-5-6-12(10-13)24-16-11-17(33(29,30)31)20(23)19-18(16)21(25)14-8-3-4-9-15(14)22(19)26;/h2-11,24H,1,23H2,(H,29,30,31);/q;+1/p-1


cas: 145417-44-3
norman_susdat_id: NS00113584
name:
7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester, polymer with ethenylbenzene and 2-propenenitrile


name: Sodium 3-[[3-[4-(hexadecyloxy)phenyl]-1,3-dioxopropyl]amino]benzenesulphonate
cas: 14542-05-3
dtxsid: DTXSID60163009
formula: C31H45NO6S
inchikey: VASNKHYSFYDYEM-UHFFFAOYSA-M
norman_susdat_id: NS00054714
pubchem_cid: 3014843
smiles: [Na+].O=C(NC1=CC=CC(=C1)S(=O)(=O)[O-])CC(=O)C2=CC=C(OCCCCCCCCCCCCCCCC)C=C2
inchi:
InChI=1/C31H45NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-38-28-21-19-26(20-22-28)30(33)25-31(34)32-27-17-16-18-29(24-27)39(35,36)37;/h16-22,24H,2-15,23,25H2,1H3,(H,32,34)(H,35,36,37);/q;+1/p-1


name: Bis[a,3,4-trimethylphenethylammonium] sulphate
cas: 14543-76-1
dtxsid: DTXSID60932590
formula: C11H17N
inchikey: JUEMAIYCXHJGDQ-UHFFFAOYSA-N
norman_susdat_id: NS00053808
pubchem_cid: 26727
smiles: O=S(=O)([O-])[O-].C=1C=C(C(=CC1CC(C)[NH3+])C)C.C=1C=C(C(=CC1CC(C)[NH3+])C)C
inchi:
InChI=1/2C11H17N.H2O4S/c2*1-8-4-5-11(6-9(8)2)7-10(3)12;1-5(2,3)4/h2*4-6,10H,7,12H2,1-3H3;(H2,1,2,3,4)


name: Gamithromycin
cas: 145435-72-9
chemspiderid: 30791798
formula: C40H76N2O12
inchikey: VWAMTBXLZPEDQO-FWEXOAGLSA-N
norman_susdat_id: NS00003310
pubchem_cid: 23725090
inchi:
InChI=1S/C40H76N2O12/c1-15-17-42-21-22(3)33(44)40(11,48)29(16-2)52-36(46)26(7)32(53-30-20-39(10,49-14)34(45)27(8)51-30)25(6)35(38(9,47)19-23(42)4)54-37-31(43)28(41(12)13)18-24(5)50-37/h22-35,37,43-45,47-48H,15-21H2,1-14H3/t22-,23+,24+,25?,26+,27-,28-,29+,30-,31+,32-,33+,34-,35+,37-,38+,39+,40+/m0/s1

smiles:
CCCN1C[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@H]1C


cas: 145477-02-7
dtxsid: DTXSID40883036
norman_susdat_id: NS00110323
name:
Quaternary ammonium compd., diethylmethyl(.gamma.-.omega.-perfluoro-C8-14-.beta.-alkenyl), tetraphenyl borates


name: Perfluoro(2-(2-propoxypropoxy)-1H,1H-propan-1-ol)
cas: 14548-74-4
chemspiderid: 2017827
dtxsid: DTXSID80371164
formula: C9H3F17O3
inchikey: URIUSGOUQUQAMG-UHFFFAOYSA-N
norman_susdat_id: NS00018774
pubchem_cid: 2736150
smiles: OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2


name: Ammonium docosanoate
cas: 14548-84-6
formula: C22H44O2.H3N
inchikey: VCGNYVLXYFKXCS-UHFFFAOYSA-N
norman_susdat_id: NS00086929
smiles: [NH4+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C22H44O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);1H3


cas: 1454846-35-5
chebiid: CHEBI:143117
formula: C21H19FN6O2
inchikey: IIXWYSCJSQVBQM-LLVKDONJSA-N
norman_susdat_id: NS00073142
pubchem_cid: 71731823
smiles: C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21
name:
19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetraazatetracyclo[16.3.1.0²,?.0¹?,¹?]docosa-1(21),2,5,10,12,14,18(22),19-octaene-3-carbonitrile

inchi:
InChI=1S/C21H19FN6O2/c1-11-15-7-13(22)4-5-14(15)21(29)27(2)10-16-19(17(8-23)28(3)26-16)12-6-18(30-11)20(24)25-9-12/h4-7,9,11H,10H2,1-3H3,(H2,24,25)/t11-/m1/s1


name: Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 145510-87-8
dtxsid: DTXSID50896516
formula: C12H7F17O4
inchikey: JWWKWKYBBAZYRD-UHFFFAOYSA-N
norman_susdat_id: NS00110802
smiles: CCCOC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C12H7F17O4/c1-2-3-31-4(30)5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h2-3H2,1H3


name: Propan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 145510-88-9
dtxsid: DTXSID10896517
formula: C12H7F17O4
inchikey: BQAMBTZSSKIMFP-UHFFFAOYSA-N
norman_susdat_id: NS00109430
smiles: CC(C)OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C12H7F17O4/c1-3(2)31-4(30)5(13,8(17,18)19)32-12(28,29)7(16,10(23,24)25)33-11(26,27)6(14,15)9(20,21)22/h3H,1-2H3


name: Butyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 145510-89-0
dtxsid: DTXSID30896519
formula: C13H9F17O4
inchikey: KFLCAJIXLFSISY-UHFFFAOYSA-N
norman_susdat_id: NS00110119
smiles: CCCCOC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C13H9F17O4/c1-2-3-4-32-5(31)6(14,9(18,19)20)33-13(29,30)8(17,11(24,25)26)34-12(27,28)7(15,16)10(21,22)23/h2-4H2,1H3


name: Cyclohexyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
cas: 145510-90-3
dtxsid: DTXSID00896546
formula: C15H11F17O4
inchikey: XOVAMVVSIWHBQI-UHFFFAOYSA-N
norman_susdat_id: NS00109070
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OC1CCCCC1)C(F)(F)F
inchi:
InChI=1/C15H11F17O4/c16-8(11(20,21)22,7(33)34-6-4-2-1-3-5-6)35-15(31,32)10(19,13(26,27)28)36-14(29,30)9(17,18)12(23,24)25/h6H,1-5H2


name: Amdoxovir
cas: 145514-04-1
dtxsid: DTXSID00431870
formula: C9H12N6O3
inchikey: RLAHNGKRJJEIJL-RFZPGFLSSA-N
norman_susdat_id: NS00069575
pubchem_cid: 124088
smiles: Nc1nc(N)c2ncn([C@H]3CO[C@@H](CO)O3)c2n1
inchi:
InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1


cas: 14552-81-9
dtxsid: DTXSID00889635
formula: C19H12Cl2N8O9S2
inchikey: IJWSYYJWKIXBGI-UHFFFAOYSA-L
norman_susdat_id: NS00053438
pubchem_cid: 167116
name:
Disodium hydrogen 4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C19H12Cl2N8O9S2.2Na.H2/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(Cl)N3)C4=CC=C(C=C4)S(=O)(=O)[O-]


name: 6-(2-dimethylaminopropyl)-6,11-dihydro-5H-pyrido[2,3-b][1,5]benzodiazepine-5-one hydrochloride
cas: 14559-79-6
formula: C17H20N4O.ClH
inchikey: DNZVNKSQOUOBOY-UHFFFAOYSA-N
norman_susdat_id: NS00086931
smiles: Cl.CC(CN1C(=O)c2cccnc2Nc3ccccc13)N(C)C
inchi:
InChI=1/C17H20N4O.ClH/c1-12(20(2)3)11-21-15-9-5-4-8-14(15)19-16-13(17(21)22)7-6-10-18-16;/h4-10,12H,11H2,1-3H3,(H,18,19);1H


name: Cerivastatin
cas: 145599-86-6
chebiid: CHEBI:3558
chemspiderid: 393588
dtxsid: DTXSID9022786
formula: C26H34F1N1O5
inchikey: SEERZIQQUAZTOL-ANMDKAQQSA-N
norman_susdat_id: NS00002083
pubchem_cid: 446156
smiles: COCc1c(nc(C(C)C)c(C=C[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
inchi:
InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1


name: 1-Amino-9,10-dihydro-N-(3-methoxypropyl)-4-nitro-9,10-dioxoanthracene-2-carboxamide
cas: 1456-63-9
chemspiderid: 4576683
dtxsid: DTXSID70163116
formula: C19H17N3O6
inchikey: JEIYUIDTNDWRJV-UHFFFAOYSA-N
norman_susdat_id: NS00024750
pubchem_cid: 5464507
smiles: COCCCNC(=O)c1cc(c2C(=O)c3c(cccc3)C(=O)c2c1N)[N+](=O)[O-]
inchi:
InChI=1S/C19H17N3O6/c1-28-8-4-7-21-19(25)12-9-13(22(26)27)14-15(16(12)20)18(24)11-6-3-2-5-10(11)17(14)23/h2-3,5-6,9H,4,7-8,20H2,1H3,(H,21,25)


name: Potassium 4-dodecylbenzenesulphonate
cas: 14564-74-0
formula: C18H30O3S.K
inchikey: CVZUNXUUYQKGKS-UHFFFAOYSA-M
norman_susdat_id: NS00086842
smiles: [K+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1


name: Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl phosphite
cas: 145650-60-8
chemspiderid: 16401069
dtxsid: DTXSID6051728
formula: C32H51O3P1
inchikey: ZEFSGHVBJCEKAZ-UHFFFAOYSA-N
norman_susdat_id: NS00040887
pubchem_cid: 6850817
smiles: CCOP(Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C)cc(cc1C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C32H51O3P/c1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15/h17-20H,16H2,1-15H3


name: 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-chlorophenyl)-3-oxobutyramide]
cas: 14569-54-1
dtxsid: DTXSID90864517
formula: C32H24Cl4N6O4
inchikey: KPSPKGJSHVSNQT-UHFFFAOYSA-N
norman_susdat_id: NS00053439
pubchem_cid: 85752
smiles: O=C(NC=1C=CC=CC1Cl)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4Cl)C(=O)C)C(Cl)=C3)C(=O)C
inchi:
InChI=1/C32H24Cl4N6O4/c1-17(43)29(31(45)37-25-9-5-3-7-21(25)33)41-39-27-13-11-19(15-23(27)35)20-12-14-28(24(36)16-20)40-42-30(18(2)44)32(46)38-26-10-6-4-8-22(26)34/h3-16,29-30H,1-2H3,(H,37,45)(H,38,46)


name: N-Cyclooctyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
cas: 1456900-48-3
dtxsid: DTXSID20896169
formula: C12H16F9NO2S
inchikey: IQHFWDNZUPFZQI-UHFFFAOYSA-N
norman_susdat_id: NS00109739
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC1CCCCCCC1
inchi:
InChI=1S/C12H16F9NO2S/c13-9(14,11(17,18)19)10(15,16)12(20,21)25(23,24)22-8-6-4-2-1-3-5-7-8/h8,22H,1-7H2


name: Diclosulam
cas: 145701-21-9
chebiid: CHEBI:81984
chemspiderid: 2338933
dtxsid: DTXSID4034528
formula: C13H10Cl2F1N5O3S1
inchikey: QNXAVFXEJCPCJO-UHFFFAOYSA-N
norman_susdat_id: NS00005913
pubchem_cid: 3081304
smiles: CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc1c(Cl)cccc1Cl
inchi:
InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3


name: Florasulam
cas: 145701-23-1
chebiid: CHEBI:82009
chemspiderid: 9875220
dtxsid: DTXSID7044340
formula: C12H8F3N5O3S1
inchikey: QZXATCCPQKOEIH-UHFFFAOYSA-N
norman_susdat_id: NS00001447
pubchem_cid: 11700495
smiles: COc1ncc(F)c2nc(nn12)S(=O)(=O)Nc1c(F)cccc1F
inchi:
InChI=1S/C12H8F3N5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)24(21,22)19-9-6(13)3-2-4-7(9)14/h2-5,19H,1H3


cas: 145703-76-0
inchikey: VDKPMRJPMMEELL-UHFFFAOYSA-L
norman_susdat_id: NS00078543
name:
disodium 7-{[4-chloro-6-(dodecylamino)-1,3,5-triazin-2-yl]amino}-4-hydroxy-3-[{4-[(4-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]naphthalene-2-sulfonate

smiles:
ClC1=NC(=NC(=N1)NCCCCCCCCCCCC)NC1=CC=C2C(=C(C(=CC2=C1)S(=O)(=O)[O-])N=NC1=CC=C(C=C1)N=NC1=CC=C(C=C1)S(=O)(=O)[O-])O.[Na+].[Na+]


cas: 145724-84-1
dtxsid: DTXSID10882617
norman_susdat_id: NS00109250
name:
Ethene, 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-1,2,2-trifluoro-, polymer with 1,1-difluoroethene, 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: Tasosartan
cas: 145733-36-4
chebiid: CHEBI:135666
dtxsid: DTXSID40163148
formula: C23H21N7O
inchikey: ADXGNEYLLLSOAR-UHFFFAOYSA-N
norman_susdat_id: NS00070844
pubchem_cid: 60919
smiles: Cc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CC2
inchi:
InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)


name: Tetomilast
cas: 145739-56-6
dtxsid: DTXSID00163149
formula: C19H18N2O4S
inchikey: XDBHURGONHZNJF-UHFFFAOYSA-N
norman_susdat_id: NS00068351
pubchem_cid: 3025803
smiles: CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC
inchi:
InChI=1S/C19H18N2O4S/c1-3-24-16-9-8-12(10-17(16)25-4-2)18-21-15(11-26-18)13-6-5-7-14(20-13)19(22)23/h5-11H,3-4H2,1-2H3,(H,22,23)


name: CP-122721
cas: 145742-28-5
chemspiderid: 7996966
dtxsid: DTXSID9047251
formula: C20H23F3N2O2
inchikey: ZIWFCOIGUNPHPM-UHFFFAOYSA-N
norman_susdat_id: NS00015615
pubchem_cid: 9864647
smiles: COC1=C(C=C(C=C1)OC(F)(F)F)CNC2CCCNC2C3=CC=CC=C3
inchi:
InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3


name: Ammonium D-5-bromo-6-oxo-9-bornanesulphonate
cas: 14575-84-9
formula: C10H15BrO4S.H3N
inchikey: GFBVBBRNPGPROZ-UHFFFAOYSA-N
norman_susdat_id: NS00086932
smiles: [NH4+].CC1(CS(=O)(=O)[O-])C2CCC1(C)C(=O)C2Br
inchi:
InChI=1/C10H15BrO4S.H3N/c1-9-4-3-6(7(11)8(9)12)10(9,2)5-16(13,14)15;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3


name: Cobalt dipalmitate
cas: 14582-18-4
formula: C16H32O2.1/2Co
inchikey: SSWSYWBRGQINON-UHFFFAOYSA-L
norman_susdat_id: NS00086468
smiles: [Co+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: (benzoyloxy)oxobismuthine
cas: 1458-29-4
formula: C7H5BiO3
inchikey: DELQWXXYVBRYIG-UHFFFAOYSA-M
norman_susdat_id: NS00081824
smiles: O=[Bi]OC(=O)c1ccccc1
inchi:
InChI=1/C7H6O2.Bi.O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;/q;+1;/p-1/rC7H5BiO3/c9-7(11-8-10)6-4-2-1-3-5-6/h1-5H


name: Liarozole
cas: 145858-50-0
dtxsid: DTXSID9048277
formula: C17H13ClN4
inchikey: UGFHIPBXIWJXNA-QGZVFWFLSA-N
norman_susdat_id: NS00069976
smiles: Clc1cccc([C@H](c2ccc3nc[nH]c3c2)n2ccnc2)c1
inchi:
InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)/t17-/m1/s1


name: 12-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
cas: 145876-00-2
dtxsid: DTXSID70895728
formula: C12H4F21N3
inchikey: DEFDVRCZPOZAET-UHFFFAOYSA-N
norman_susdat_id: NS00111433
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN=[N+]=[N-]
inchi:
InChI=1S/C12H4F21N3/c13-3(14,1-2-35-36-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2


name: Hexadecylbenzene
cas: 1459-09-2
chemspiderid: 14357
dtxsid: DTXSID4061707
formula: C22H38
inchikey: DEQLTFPCJRGSHW-UHFFFAOYSA-N
norman_susdat_id: NS00024762
pubchem_cid: 15085
smiles: CCCCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3


name: Tetradecylbenzene
cas: 1459-10-5
chemspiderid: 14358
dtxsid: DTXSID1051729
formula: C20H34
inchikey: JZALLXAUNPOCEU-UHFFFAOYSA-N
norman_susdat_id: NS00024763
pubchem_cid: 15086
smiles: CCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20/h13,15-16,18-19H,2-12,14,17H2,1H3


name: K201 free base
cas: 145903-06-6
dtxsid: DTXSID60163201
formula: C25H32N2O2S
inchikey: KCWGETCFOVJEPI-UHFFFAOYSA-N
norman_susdat_id: NS00068350
pubchem_cid: 1715
smiles: COc1ccc2c(c1)CN(C(=O)CCN1CCC(Cc3ccccc3)CC1)CCS2
inchi:
InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3


name: Bis(dibutyldithiocarbamato-S,S')cobalt
cas: 14591-57-2
formula: C18H36CoN2S4
inchikey: BDCVQFMEJUHADG-UHFFFAOYSA-L
norman_susdat_id: NS00086963
smiles: CCCCN(CCCC)C(=S)S[Co]SC(=S)N(CCCC)CCCC
inchi:
InChI=1/2C9H19NS2.Co/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2/rC18H36CoN2S4/c1-5-9-13-20(14-10-6-2)17(22)24-19-25-18(23)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3


name: Troxacitabine
cas: 145918-75-8
chebiid: CHEBI:134886
dtxsid: DTXSID10861381
formula: C8H11N3O4
inchikey: RXRGZNYSEHTMHC-BQBZGAKWSA-N
norman_susdat_id: NS00068705
pubchem_cid: 454194
smiles: Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1
inchi:
InChI=1S/C8H11N3O4/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-/m0/s1


name: Flavin adenine dinucleotide
cas: 146-14-5
chebiid: CHEBI:16238
chemspiderid: 559059
dtxsid: DTXSID4048307
formula: C27H33N9O15P2
inchikey: VWWQXMAJTJZDQX-UYBVJOGSSA-N
norman_susdat_id: NS00014838
pubchem_cid: 643975
inchi:
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

smiles:
O=C2C3=Nc1cc(c(cc1N(C/3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C


name: FLAVIN MONONUCLEOTIDE
cas: 146-17-8
chemspiderid: 8619
formula: C17H21N4O9P1
inchikey: FVTCRASFADXXNN-UHFFFAOYSA-N
norman_susdat_id: NS00014334
pubchem_cid: 710
smiles: Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO[P](O)(O)=O)c2cc1C
inchi:
InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)


name: 10H-Phenothiazine-10-propanamine, N,N-dimethyl-, 5-oxide
cas: 146-21-4
chebiid: CHEBI:145225
chemspiderid: 476589
formula: C17H20N2OS
inchikey: KSHDHDWHIWBNHA-UHFFFAOYSA-N
norman_susdat_id: NS00113795
pubchem_cid: 547559
smiles: CN(C)CCCN1C2=C(C=CC=C2)S(C3=CC=CC=C13)=O
inchi:
InChI=1S/C17H20N2OS/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)21(20)17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3


name: Nitrazepam
cas: 146-22-5
chebiid: CHEBI:7581
chemspiderid: 4350
dtxsid: DTXSID5023372
formula: C15H11N3O3
inchikey: KJONHKAYOJNZEC-UHFFFAOYSA-N
norman_susdat_id: NS00000041
pubchem_cid: 4506
smiles: c1ccc(cc1)C2=NCC(=Nc3c2cc(cc3)[N+](=O)[O-])O
inchi:
InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)


name: Thiopropazate dihydrochloride
cas: 146-28-1
formula: C23H28ClN3O2S.2ClH
inchikey: DRLLEHPFGRESBT-UHFFFAOYSA-N
norman_susdat_id: NS00079450
smiles: Cl.Cl.CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
inchi:
InChI=1/C23H28ClN3O2S.2ClH/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27;;/h2-3,5-8,17H,4,9-16H2,1H3;2*1H


name: Laurolinium acetate
cas: 146-37-2
dtxsid: DTXSID10163251
formula: C22H35N2
inchikey: WFENCVFYUBXRSH-UHFFFAOYSA-N
norman_susdat_id: NS00041517
pubchem_cid: 67354
smiles: O=C([O-])C.NC1=CC(=[N+](C=2C=CC=CC12)CCCCCCCCCCCC)C
inchi:
InChI=1/C22H34N2.C2H4O2/c1-3-4-5-6-7-8-9-10-11-14-17-24-19(2)18-21(23)20-15-12-13-16-22(20)24;1-2(3)4/h12-13,15-16,18,23H,3-11,14,17H2,1-2H3;1H3,(H,3,4)


name: Yohimbine
cas: 146-48-5
chebiid: CHEBI:10093
chemspiderid: 8622
dtxsid: DTXSID9040130
formula: C21H26N2O3
inchikey: BLGXFZZNTVWLAY-SCYLSFHTSA-N
norman_susdat_id: NS00003970
pubchem_cid: 8969
smiles: COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
inchi:
InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1


name: Triflupromazine
cas: 146-54-3
chebiid: CHEBI:9711
chemspiderid: 5367
dtxsid: DTXSID9023704
formula: C18H19F3N2S1
inchikey: XSCGXQMFQXDFCW-UHFFFAOYSA-N
norman_susdat_id: NS00004109
pubchem_cid: 5568
smiles: CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
inchi:
InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3


name: Fluphenazine dihydrochloride
cas: 146-56-5
chebiid: CHEBI:5126
formula: C22H26F3N3OS.2ClH
inchikey: MBHNWCYEGXQEIT-UHFFFAOYSA-N
norman_susdat_id: NS00079264
smiles: Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
inchi:
InChI=1/C22H26F3N3OS.2ClH/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H


name: 6-chloro-9-[[3-[(2-chloroethyl)ethylamino]propyl]amino]-2-methoxyacridine dihydrochloride
cas: 146-59-8
chebiid: CHEBI:21183
dtxsid: DTXSID8073893
formula: C21H25Cl2N3O
inchikey: PWGOWIIEVDAYTC-UHFFFAOYSA-N
norman_susdat_id: NS00041518
pubchem_cid: 8972
smiles: Cl.Cl.ClC=1C=CC=2C(=NC=3C=CC(OC)=CC3C2NCCCN(CC)CCCl)C1
inchi:
InChI=1/C21H25Cl2N3O.2ClH/c1-3-26(12-9-22)11-4-10-24-21-17-7-5-15(23)13-20(17)25-19-8-6-16(27-2)14-18(19)21;;/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25);2*1H


name: 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazolium chloride
cas: 146-68-9
dtxsid: DTXSID30932744
formula: C19H15IN5O2
inchikey: JJMQRJKPLUACSO-UHFFFAOYSA-N
norman_susdat_id: NS00041513
pubchem_cid: NA
smiles: [Cl-].O=[N+]([O-])C1=CC=C(C=C1)N2N=C(C=3C=CC=CC3)[NH2+]N2C4=CC=C(I)C=C4
inchi:
InChI=1/C19H14IN5O2.ClH/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27;/h1-13H,(H,21,22);1H


name: 2-chloroadenosinehemihydrate
cas: 146-77-0
formula: C10H12ClN5O4
inchikey: BIXYYZIIJIXVFW-UHFFFAOYSA-N
norman_susdat_id: NS00041314
pubchem_cid: 235481
smiles: ClC=1N=C(N)C=2N=CN(C2N1)C3OC(CO)C(O)C3O
inchi:
InChI=1/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)


name: 2-Fluoroadenosine
cas: 146-78-1
chebiid: CHEBI:39740
dtxsid: DTXSID70163252
formula: C10H12FN5O4
inchikey: HBUBKKRHXORPQB-UUOKFMHZSA-N
norman_susdat_id: NS00069546
pubchem_cid: 8975
smiles: Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1


name: Xanthosine
cas: 146-80-5
chemspiderid: 1152
formula: C10H12N4O6
inchikey: UBORTCNDUKBEOP-UHFFFAOYSA-N
norman_susdat_id: NS00007495
pubchem_cid: 1189
smiles: OCC1OC(C(O)C1O)n1cnc2c1[nH]c(=O)[nH]c2=O
inchi:
InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)


name: Benzoic acid, 2-[4-(1,1-dimethylethyl)benzoyl]-
cas: 146-81-6
chemspiderid: 60688
dtxsid: DTXSID1059731
formula: C18H18O3
inchikey: KFTGETZSJFJXEO-UHFFFAOYSA-N
norman_susdat_id: NS00024806
pubchem_cid: 67357
smiles: CC(C)(C)c1ccc(cc1)C(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C18H18O3/c1-18(2,3)13-10-8-12(9-11-13)16(19)14-6-4-5-7-15(14)17(20)21/h4-11H,1-3H3,(H,20,21)


name: Guanosine diphosphate
cas: 146-91-8
chebiid: CHEBI:17552
chemspiderid: 8630
dtxsid: DTXSID90163254
formula: C10H15N5O11P2
inchikey: QGWNDRXFNXRZMB-UUOKFMHZSA-N
norman_susdat_id: NS00015099
pubchem_cid: 8977
smiles: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
inchi:
InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1


name: Adenosine N1-oxide
cas: 146-92-9
chebiid: CHEBI:35485
formula: C10H14N5O5
inchikey: VYSCKHGOLQAMAT-KQYNXXCUSA-N
norman_susdat_id: NS00041842
pubchem_cid: NA
smiles: [O-][N+]1=CN=C2C(N=CN2C3OC(CO)C(O)C3O)=C1N
inchi:
InChI=1/C10H13N5O5/c11-8-5-9(13-3-15(8)19)14(2-12-5)10-7(18)6(17)4(1-16)20-10/h2-4,6-7,10,16-18H,1,11H2


name: FR145237
cas: 146011-65-6
chemspiderid: 8025769
dtxsid: DTXSID6048171
formula: C30H22Cl1F3N2O2
inchikey: GJRPAGNTTAPJCC-UHFFFAOYSA-N
norman_susdat_id: NS00015684
pubchem_cid: 9850056
smiles: CC1=CC2=C(C=C1)OC(=C2C3=CC=C(C=C3)Cl)CN(CC4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5F)F)F
inchi:
InChI=1S/C30H22ClF3N2O2/c1-18-7-12-26-23(13-18)28(20-8-10-21(31)11-9-20)27(38-26)17-36(16-19-5-3-2-4-6-19)30(37)35-29-24(33)14-22(32)15-25(29)34/h2-15H,16-17H2,1H3,(H,35,37)


name: cis-5,8,11-Eicosatrienoic acid methyl ester
cas: 14602-39-2
formula: C21H36O2
inchikey: AESHPAQQBZWZMS-NWFXIAEYSA-N
norman_susdat_id: NS00096662
smiles: CCCCCCCC/C=CC/C=CC/C=CCCCC(=O)OC
inchi:
InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11,13-14,16-17H,3-9,12,15,18-20H2,1-2H3/b11-10-,14-13-,17-16-


name: Lantanone
cas: 14605-17-5
chemspiderid: 10553810
formula: C32H48O5
inchikey: UYMVUDWLGIYLKY-LYQIAVTOSA-N
norman_susdat_id: NS00094162
pubchem_cid: 8729201
smiles:
O=C(O)[C@@]54[C@H](/C3=C/C(=O)[C@H]1[C@](CC[C@@H]2[C@]1(C)CC[C@H](OC(=O)C)C2(C)C)(C)[C@]3(C)CC4)CC(C)(C)CC5


name: Tauroursodeoxycholic acid
cas: 14605-22-2
chebiid: CHEBI:80774
dtxsid: DTXSID30862092
formula: C26H45NO6S
inchikey: BHTRKEVKTKCXOH-LBSADWJPSA-N
norman_susdat_id: NS00069560
pubchem_cid: 9848818
inchi:
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

smiles:
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C


name: Cay10415
cas: 146062-49-9
formula: C19H18N2O4S
inchikey: IRNJSRAGRIZIHD-QGZVFWFLSA-N
norman_susdat_id: NS00069192
smiles: CCc1ccc(C(=O)COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1
inchi:
InChI=1S/C19H18N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,17H,2,9,11H2,1H3,(H,21,23,24)/t17-/m1/s1


name: Benzenesulfonamide, 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo]-N-(2-chloroethyl)-
cas: 14607-25-1
chemspiderid: 76273
dtxsid: DTXSID3065794
formula: C19H25Cl1N4O4S1
inchikey: NTPQPUJVBMNPCW-UHFFFAOYSA-N
norman_susdat_id: NS00024769
pubchem_cid: 84550
smiles: Cc1c(ccc(c1)N(CCO)CCO)N=Nc1ccc(cc1)S(=O)(=O)NCCCl
inchi:
InChI=1S/C19H25ClN4O4S/c1-15-14-17(24(10-12-25)11-13-26)4-7-19(15)23-22-16-2-5-18(6-3-16)29(27,28)21-9-8-20/h2-7,14,21,25-26H,8-13H2,1H3/b23-22+


name: 1-Amino-5-((7-oxo-7H-benz(de)anthracen-3-yl)amino)anthraquinone
cas: 14608-27-6
chemspiderid: 76274
dtxsid: DTXSID60163266
formula: C31H18N2O3
inchikey: GOIRGOFDFRJVMG-UHFFFAOYSA-N
norman_susdat_id: NS00024770
pubchem_cid: 84551
smiles: Nc1c2C(=O)c3cccc(Nc4ccc5c6c(cccc6)C(=O)c6cccc4c56)c3C(=O)c2ccc1
inchi:
InChI=1S/C31H18N2O3/c32-23-12-4-10-21-27(23)30(35)22-11-5-13-25(28(22)31(21)36)33-24-15-14-17-16-6-1-2-7-18(16)29(34)20-9-3-8-19(24)26(17)20/h1-15,33H,32H2


name: 1H,1H,2H,2H-Perfluorododecyltriethoxysilane
cas: 146090-84-8
dtxsid: DTXSID60382354
formula: C18H19F21O3Si
inchikey: KWEUJTRPCBXYLS-UHFFFAOYSA-N
norman_susdat_id: NS00110881
smiles: CCO[Si](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)(OCC)OCC
inchi:
InChI=1S/C18H19F21O3Si/c1-4-40-43(41-5-2,42-6-3)8-7-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-8H2,1-3H3


name: Tributyltin chloride
cas: 1461-22-9
chebiid: CHEBI:79734
dtxsid: DTXSID3027403
formula: C12H27ClSn
inchikey: GCTFWCDSFPMHHS-UHFFFAOYSA-M
norman_susdat_id: NS00081186
smiles: [Cl-].CCCC[Sn+](CCCC)CCCC
inchi:
InChI=1/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.ClH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1


name: Tributyltin bromide
cas: 1461-23-0
formula: C12H27BrSn
inchikey: FVRKTAOFDKFAMI-UHFFFAOYSA-M
norman_susdat_id: NS00081187
smiles: [Br-].CCCC[Sn+](CCCC)CCCC
inchi:
InChI=1/3C4H9.BrH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC12H27Sn.BrH/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;1H/q+1;/p-1


name: Tetrabutyltin
cas: 1461-25-2
dtxsid: DTXSID4022153
formula: C16H36Sn
inchikey: AFCAKJKUYFLYFK-UHFFFAOYSA-N
norman_susdat_id: NS00044159
pubchem_cid: NA
smiles: CCCC[Sn](CCCC)(CCCC)CCCC
eea_notation: CAS_1461-25-2
inchi:
InChI=1/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;/rC16H36Sn/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3


name: N5-[imino[[(phenylmethoxy)carbonyl]amino]methyl]-N2,N5-bis[(phenylmethoxy)carbonyl]-L-ornithine
cas: 14611-34-8
formula: C30H32N4O8
inchikey: YSGAXJCIEJGVFV-VWLOTQADSA-N
norman_susdat_id: NS00053886
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NC(=N)N(C(=O)OCC=2C=CC=CC2)CCCC(NC(=O)OCC=3C=CC=CC3)C(=O)O
inchi:
InChI=1/C30H32N4O8/c31-27(33-29(38)41-20-23-13-6-2-7-14-23)34(30(39)42-21-24-15-8-3-9-16-24)18-10-17-25(26(35)36)32-28(37)40-19-22-11-4-1-5-12-22/h1-9,11-16,25H,10,17-21H2,(H,32,37)(H,35,36)(H2,31,33,38)


name: [2-(4-chlorophenoxy)-2-methylpropionato-O1]dihydroxyaluminium
cas: 14613-28-6
formula: C10H12AlClO5
inchikey: LOMIGYOPIGXXMW-UHFFFAOYSA-K
norman_susdat_id: NS00086897
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)O
inchi:
InChI=1/C10H11ClO3.Al.2H2O/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;;/h3-6H,1-2H3,(H,12,13);;2*1H2/q;+3;;/p-3/rC10H12AlClO5/c1-10(2,9(13)17-11(14)15)16-8-5-3-7(12)4-6-8/h3-6,14-15H,1-2H3


name: Deglucohyrcanoside
cas: 14614-16-5
chemspiderid: 10029595
formula: C28H38O9
inchikey: ZQVQSPBMCILIHV-PZZYZECVSA-N
norman_susdat_id: NS00093792
pubchem_cid: 8205166
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)O)O


cas: 14617-19-7
chemspiderid: 141507
dtxsid: DTXSID20932778
formula: C21H29N1O1
inchikey: VZBIEBUSGOHPRM-UHFFFAOYSA-N
norman_susdat_id: NS00002928
pubchem_cid: 161078
smiles: OC(CCN1CCCCC1)(C1C2C3CC1CC23)c1ccccc1
name:
1-Phenyl-3-(piperidin-1-yl)-1-(tricyclo[2.2.1.0~2,6~]heptan-3-yl)propan-1-ol--hydrogen chloride (1/1)

inchi:
InChI=1S/C21H29NO/c23-21(16-7-3-1-4-8-16,9-12-22-10-5-2-6-11-22)20-15-13-17-18(14-15)19(17)20/h1,3-4,7-8,15,17-20,23H,2,5-6,9-14H2


name: Tetradecanoic acid, 4-nitrophenyl ester
cas: 14617-85-7
chemspiderid: 76277
dtxsid: DTXSID2074530
formula: C20H31N1O4
inchikey: ZBBNFJIVAHGZKA-UHFFFAOYSA-N
norman_susdat_id: NS00024773
pubchem_cid: 84555
smiles: CCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(22)25-19-16-14-18(15-17-19)21(23)24/h14-17H,2-13H2,1H3


cas: 146191-87-9
dtxsid: DTXSID70882855
norman_susdat_id: NS00111335
name:
Poly[oxy(1,1,2,2,3,3,4,4-octafluoro-1,4-butanediyl)], .alpha.-(1,1,2,2,3,3-hexafluoro-4-hydroxybutyl)-.omega.-(1,1,2,2,3,3-hexafluoro-4-hydroxybutoxy)-


cas: 14620-81-6
dtxsid: DTXSID40896500
formula: C12H3F23O4
inchikey: IVWMVBZXKIOILW-UHFFFAOYSA-N
norman_susdat_id: NS00110459
smiles: OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
2,3,3,3-Tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propan-1-ol

inchi:
InChI=1/C12H3F23O4/c13-2(1-36,6(18,19)20)37-11(32,33)4(16,8(24,25)26)39-12(34,35)5(17,9(27,28)29)38-10(30,31)3(14,15)7(21,22)23/h36H,1H2


cas: 146222-54-0
dtxsid: DTXSID90882973
norman_susdat_id: NS00112031
name:
Poly[oxy(1,1,2,2-tetrafluoro-1,2-ethanediyl)], .alpha.-(1,1-difluoro-2-hydroxyethyl)-.omega.-(1,1-difluoro-2-hydroxyethoxy)


name: 2-(p-amino-N-ethylanilino)ethanol sulphate
cas: 14623-68-8
formula: C10H16N2O.xH2O4S
inchikey: KAJALVWKFPQZOO-UHFFFAOYSA-N
norman_susdat_id: NS00086487
smiles: CCN(CCO)c1ccc(N)cc1.OS(=O)(=O)O
inchi:
InChI=1/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)


cas: 146245-94-5
dtxsid: DTXSID50882999
norman_susdat_id: NS00110664
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(4-sulfobutyl)-.omega.-[[(heptadecafluorooctyl)sulfonyl]propylamino]-, sodium salt


cas: 146289-38-5
dtxsid: DTXSID50882717
norman_susdat_id: NS00110637
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-propenoate, block, peroxidized adipoyl chloride-triethylene glycol polymer-initiated


name: Thymine riboside
cas: 1463-10-1
chebiid: CHEBI:45996
chemspiderid: 393058
dtxsid: DTXSID20163348
formula: C10H14N2O6
inchikey: DWRXFEITVBNRMK-JXOAFFINSA-N
norman_susdat_id: NS00024786
pubchem_cid: 445408
smiles: Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O
inchi:
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1


name: N-[(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanimidoyl)oxy]benzenecarboximidamide
cas: 146304-61-2
dtxsid: DTXSID40896202
formula: C14H8F13N3O
inchikey: PZNFGRVUCIGGHF-UHFFFAOYSA-N
norman_susdat_id: NS00110429
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=N)ONC(=N)c1ccccc1
inchi:
InChI=1S/C14H8F13N3O/c15-9(16,8(29)31-30-7(28)6-4-2-1-3-5-6)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5,29H,(H2,28,30)


name: 3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]
cas: 146304-71-4
dtxsid: DTXSID70896735
formula: C22H4F26N4O2
inchikey: ZTSUPFXJRAWYNA-UHFFFAOYSA-N
norman_susdat_id: NS00111516
inchi:
InChI=1S/C22H4F26N4O2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-49-7(51-53-9)5-1-2-6(4-3-5)8-50-10(54-52-8)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-4H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(no1)-c1ccc(cc1)-c1noc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3-Phenyl-5-(tridecafluorohexyl)-1,2,4-oxadiazole
cas: 146304-76-9
dtxsid: DTXSID00896228
formula: C14H5F13N2O
inchikey: FTSLLNVJWFPHQG-UHFFFAOYSA-N
norman_susdat_id: NS00109038
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(no1)-c1ccccc1
inchi:
InChI=1S/C14H5F13N2O/c15-9(16,8-28-7(29-30-8)6-4-2-1-3-5-6)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5H


name: 4-(Dimethylamino)phenyl nonafluorobutane-1-sulfonate
cas: 1463426-91-6
dtxsid: DTXSID50896152
formula: C12H10F9NO3S
inchikey: PYKVOGIGEBVLSI-UHFFFAOYSA-N
norman_susdat_id: NS00110765
smiles: CN(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C12H10F9NO3S/c1-22(2)7-3-5-8(6-4-7)25-26(23,24)12(20,21)10(15,16)9(13,14)11(17,18)19/h3-6H,1-2H3


cas: 146349-51-1
dtxsid: DTXSID20882901
norman_susdat_id: NS00109629
name:
Poly[oxy(1,1,2,2,3,3-hexafluoro-1,3-propanediyl)], .alpha.-(1,1,2,2,3,3,3-heptafluoropropyl)-.omega.-(1,1,2,2-tetrafluoro-3-hydroxypropoxy)-


name: Terlipressin
cas: 14636-12-5
chebiid: CHEBI:135905
chemspiderid: 65067
dtxsid: DTXSID7048952
formula: C52H74N16O15S2
inchikey: BENFXAYNYRLAIU-QSVFAHTRSA-N
norman_susdat_id: NS00024791
pubchem_cid: 72081
inchi:
InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1

smiles:
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1)C(=O)NCC(=O)N


name: Meclinertant
cas: 146362-70-1
chebiid: CHEBI:125516
dtxsid: DTXSID40163360
formula: C32H31ClN4O5
inchikey: DYLJVOXRWLXDIG-UHFFFAOYSA-N
norman_susdat_id: NS00068477
pubchem_cid: 119192
smiles: COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12
inchi:
InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)


cas: 14637-08-2
dtxsid: DTXSID0065800
formula: C26H31N2O5S3
inchikey: BPVXRCNZOAFWOB-UHFFFAOYSA-N
norman_susdat_id: NS00052166
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(SC=2C=CC(OC)=CC21)C=C(C=C3SC4=CC=C(OC)C=C4N3CC)CC
name:
2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C26H30N2O5S3/c1-5-18(14-25-27(6-2)21-16-19(32-3)8-10-23(21)34-25)15-26-28(12-7-13-36(29,30)31)22-17-20(33-4)9-11-24(22)35-26/h8-11,14-17H,5-7,12-13H2,1-4H3


name: Pralatrexate | 10-propargyl-10-deazaaminopterin
cas: 146464-95-1
dtxsid: DTXSID30861383
formula: C23H23N7O5
inchikey: OGSBUKJUDHAQEA-HOCLYGCPSA-N
norman_susdat_id: NS00068593
smiles: C#CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
inchi:
InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14-,16-/m0/s1


name: 2-(((Heptadecafluorooctyl)sulfonyl)methylamino)ethyl methacrylate
cas: 14650-24-9
chemspiderid: 76296
dtxsid: DTXSID80864521
formula: C15H12F17N1O4S1
inchikey: UZMOXNBUTMPDCX-UHFFFAOYSA-N
norman_susdat_id: NS00011119
pubchem_cid: 84574
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C(=C)C
inchi:
InChI=1S/C15H12F17NO4S/c1-6(2)7(34)37-5-4-33(3)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h1,4-5H2,2-3H3


name: Uridine 5'-(trihydrogen diphosphate), mono-a-d-glucopyranosyl ester, sodium salt
cas: 14656-80-5
formula: C15H24N2O17P2.xNa
inchikey: WHQXOYHAMXGYBS-UHFFFAOYSA-M
norman_susdat_id: NS00085424
smiles: OCC1OC(OP(=O)(O[Na])OP(=O)(O)OCC2OCC(O)C2O)C(O)C(O)C1O
inchi:
InChI=1/C11H22O15P2.Na/c12-1-5-8(15)9(16)10(17)11(24-5)25-28(20,21)26-27(18,19)23-3-6-7(14)4(13)2-22-6;/h4-17H,1-3H2,(H,18,19)(H,20,21);/q;+1/p-1/rC11H21NaO15P2/c12-26-29(21,25-11-10(18)9(17)8(16)5(1-13)24-11)27-28(19,20)23-3-6-7(15)4(14)2-22-6/h4-11,13-18H,1-3H2,(H,19,20)


name: Acetylsalicylic anhydride
cas: 1466-82-6
chemspiderid: 14382
dtxsid: DTXSID90163416
formula: C18H14O7
inchikey: OAWXYINGQXLWOE-UHFFFAOYSA-N
norman_susdat_id: NS00024799
pubchem_cid: 15110
smiles: CC(=O)Oc1ccccc1C(=O)OC(=O)c1c(OC(=O)C)cccc1
inchi:
InChI=1S/C18H14O7/c1-11(19)23-15-9-5-3-7-13(15)17(21)25-18(22)14-8-4-6-10-16(14)24-12(2)20/h3-10H,1-2H3


name: Taxchinin A
cas: 146621-74-1
chemspiderid: 5319881
formula: C33H42O11
inchikey: VETCXRGMQJYOHM-JGYXPHOZSA-N
norman_susdat_id: NS00093875
pubchem_cid: 4478088
smiles:
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4


name: Saprisartan
cas: 146623-69-0
dtxsid: DTXSID00163422
formula: C25H22BrF3N4O4S
inchikey: DUEWVPTZCSAMNB-UHFFFAOYSA-N
norman_susdat_id: NS00069572
pubchem_cid: 60921
smiles: CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1
inchi:
InChI=1S/C25H22BrF3N4O4S/c1-2-19-31-21(14-8-9-14)22(24(30)34)33(19)12-13-7-10-18-16(11-13)20(26)23(37-18)15-5-3-4-6-17(15)32-38(35,36)25(27,28)29/h3-7,10-11,14,32H,2,8-9,12H2,1H3,(H2,30,34)


name: Dantrolene sodium
cas: 14663-23-1
chebiid: CHEBI:4318
dtxsid: DTXSID4044585
formula: C14H9N4NaO5
inchikey: KSRLIXGNPXAZHD-UHFFFAOYSA-M
norman_susdat_id: NS00076310
smiles: [Na+].[O-][N+](=O)C1=CC=C(C=C1)C1=CC=C(O1)C=NN1CC(=O)[N-]C1=O
inchi:
InChI=1S/C14H10N4O5.Na/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22;/h1-7H,8H2,(H,16,19,20);/q;+1/p-1


name: Aminodantrolene
cas: 14663-28-6
chemspiderid: 7844756
dtxsid: DTXSID60163423
formula: C14H12N4O3
inchikey: UXUTWFLSENWVIM-FRKPEAEDSA-N
norman_susdat_id: NS00008788
pubchem_cid: 9570289
smiles: Nc1ccc(cc1)-c1ccc(C=NN2CC(=O)NC2=O)o1
inchi:
InChI=1S/C14H12N4O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8,15H2,(H,17,19,20)/b16-7+


cas: 146632-08-8
dtxsid: DTXSID90882716
norman_susdat_id: NS00112006
name:
Siloxanes and Silicones, di-Me, butyl- and 3-[(2-methyl-1-oxo-2-propenyl)oxy]propyl group-terminated, polymers with 2-[[(heptadecafluororoctyl)sulfonyl]methylamino]ethylacrylate and iso-Bu methacrylate


name: Oleic acid, cobalt salt
cas: 14666-94-5
formula: C18H34O2.xCo
inchikey: IWNMVERPBFAOPL-KVVVOXFISA-M
norman_susdat_id: NS00085900
smiles: [Co+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.Co/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;+2/p-1


name: Cobalt (9Z,12Z)-octadeca-9,12-dienoate
cas: 14666-96-7
formula: C18H32O2.xCo
inchikey: IIGAELMXVLEZPM-GRVYQHKQSA-L
norman_susdat_id: NS00086517
smiles: [Co+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: RC-220
cas: 146663-95-8
dtxsid: DTXSID30163430
formula: C29H39N5O7S
inchikey: ZOXOKTJHZSUHRJ-XZOQPEGZSA-N
norman_susdat_id: NS00069243
pubchem_cid: 177837
smiles: COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C
inchi:
InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1


name: (S)-MCPG
cas: 146669-29-6
chebiid: CHEBI:43876
dtxsid: DTXSID2042567
formula: C10H11NO4
inchikey: DNCAZYRLRMTVSF-JTQLQIEISA-N
norman_susdat_id: NS00069045
pubchem_cid: 446355
smiles: C[C@@](N)(C(=O)O)c1ccc(C(=O)O)cc1
inchi:
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1


cas: 14674-83-0
formula: C23H17AsN4O13S2.2Na
inchikey: CSAPCZMCZFCISN-UHFFFAOYSA-L
norman_susdat_id: NS00085456
name:
Disodium hydrogen 2-[[7-[(2-arsonophenyl)azo]-1,8-dihydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C23H17AsN4O13S2.2Na.H2/c29-21-18-11(9-16(42(36,37)38)19(21)27-25-14-7-3-1-5-12(14)23(31)32)10-17(43(39,40)41)20(22(18)30)28-26-15-8-4-2-6-13(15)24(33,34)35;;;/h1-10,29-30H,(H,31,32)(H2,33,34,35)(H,36,37,38)(H,39,40,41);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O[As](O)(=O)c4ccccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccccc2C([O-])=O)c3O)S([O-])(=O)=O


name: 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)propyl(methyl)ammonium p-toluenesulphonate
cas: 14675-77-5
formula: C19H21N.C7H8O3S
inchikey: YVGGYSKPXAALKV-UHFFFAOYSA-N
norman_susdat_id: NS00085457
smiles: C[NH2+]CCC=C1c2ccccc2CCc3ccccc13.Cc4ccc(cc4)S(=O)(=O)[O-]
inchi:
InChI=1/C19H21N.C7H8O3S/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,7-11,20H,6,12-14H2,1H3;2-5H,1H3,(H,8,9,10)


name: Gambierol
cas: 146763-62-4
dtxsid: DTXSID30880110
formula: C43H64O11
inchikey: GKLILONDTZZKRF-IDJCTBPMSA-N
norman_susdat_id: NS00075420
inchi:
InChI=1/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-/s2

smiles:
[H][C@@]12C[C@]3([H])O[C@]4(C)C[C@]5(C)O[C@]6([H])C=C[C@](C)(O)[C@H](O[C@@]6([H])C[C@@]5([H])O[C@@]4([H])CC[C@@]3([H])O[C@@]1([H])C[C@@]1(C)O[C@@]3(C)[C@@H](O)C[C@H](CCCO)O[C@]3([H])C[C@]1([H])O2)C=C/C=CCC=C


name: diethyl [4-(prop-2-yn-1-yloxy)benzylidene]propanedioate
cas: 146763-69-1
chemspiderid: NA
formula: C17H18O5
inchikey: WPCVRNXUPRQKIY-UHFFFAOYSA-N
norman_susdat_id: NS00003823
pubchem_cid: 23303881
smiles: CCOC(=O)C(=Cc1ccc(OCC#C)cc1)C(=O)OCC
inchi:
InChI=1S/C17H18O5/c1-4-11-22-14-9-7-13(8-10-14)12-15(16(18)20-5-2)17(19)21-6-3/h1,7-10,12H,5-6,11H2,2-3H3


name: Potassium tetrakis(p-chlorophenyl)borate(1-)
cas: 14680-77-4
dtxsid: DTXSID90932922
formula: C24H17BCl4
inchikey: SAGICZRAKJSWLD-UHFFFAOYSA-N
norman_susdat_id: NS00052187
pubchem_cid: NA
smiles: [K+].ClC1=CC=C(C=C1)[B-](C2=CC=C(Cl)C=C2)(C3=CC=C(Cl)C=C3)C4=CC=C(Cl)C=C4
inchi:
InChI=1/C24H16BCl4.K/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20;/h1-16H;/q-1;+1


name: 8-quinolyl ß-D-glucopyranosiduronic acid
cas: 14683-61-5
formula: C15H15NO7
inchikey: DPEGQJDYRIQRHI-DKBOKBLXSA-N
norman_susdat_id: NS00053499
pubchem_cid: 84592
smiles: O=C(O)C1OC(OC=2C=CC=C3C=CC=NC23)C(O)C(O)C1O
inchi:
InChI=1/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-8-5-1-3-7-4-2-6-16-9(7)8/h1-6,10-13,15,17-19H,(H,20,21)


name: 2,4,6,8-tetrabutyl-2,4,6,8-tetramethylcyclotetrasiloxane
cas: 14685-29-1
dtxsid: DTXSID80163526
formula: C20H48O4Si4
inchikey: WRMMUMWFPNLNGA-UHFFFAOYSA-N
norman_susdat_id: NS00052578
pubchem_cid: 84593
smiles: O1[Si](O[Si](O[Si](O[Si]1(C)CCCC)(C)CCCC)(C)CCCC)(C)CCCC
inchi:
InChI=1/C20H48O4Si4/c1-9-13-17-25(5)21-26(6,18-14-10-2)23-28(8,20-16-12-4)24-27(7,22-25)19-15-11-3/h9-20H2,1-8H3


name: 1,3-Bis(hexadecyloxy)propan-2-ol
cas: 14690-01-8
chemspiderid: 76317
dtxsid: DTXSID40163542
formula: C35H72O3
inchikey: CSTYETQXRJUWCP-UHFFFAOYSA-N
norman_susdat_id: NS00024813
pubchem_cid: 84596
smiles: CCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H72O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-33-35(36)34-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34H2,1-2H3


name: Dodecahydro-7,14-methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one monoperchlorate
cas: 14691-01-1
formula: C15H24N2O.ClHO4
inchikey: DVZQTPMQQXAHSQ-UHFFFAOYSA-N
norman_susdat_id: NS00085781
smiles: OCl(=O)(=O)=O.O=C1CCCC2C3CC(CN12)C4CCCCN4C3
inchi:
InChI=1/C15H24N2O.ClHO4/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11;2-1(3,4)5/h11-14H,1-10H2;(H,2,3,4,5)


name: Ziprasidone
cas: 146939-27-7
chebiid: CHEBI:10119
chemspiderid: 54841
dtxsid: DTXSID4023753
formula: C21H21Cl1N4O1S1
inchikey: MVWVFYHBGMAFLY-UHFFFAOYSA-N
norman_susdat_id: NS00004565
pubchem_cid: 60854
smiles: Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
inchi:
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)


name: Dihydromorphinone acetate
cas: 14696-22-1
chemspiderid: 21106250
formula: C19H21NO4
inchikey: QVIUKMVKLLVCDU-ATNYCFDYSA-N
norman_susdat_id: NS00114018
pubchem_cid: 49844338
smiles: O=C1[C@H]2[C@]34C5=C(C=CC(OC(C)=O)=C5O2)C[C@@H](N(CC4)C)[C@]3([H])CC1
inchi:
InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3,6,12-13,18H,4-5,7-9H2,1-2H3/t12-,13+,18-,19-/m0/s1


name: Tetraaluminium tris(pyrophosphate)
cas: 14696-66-3
formula: Al.3/4H4O7P2
inchi: InChI=1/4Al.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12
inchikey: XGFPOHQJFNFBKA-UHFFFAOYSA-B
norman_susdat_id: NS00085923
smiles:
[Al+3].[Al+3].[Al+3].[Al+3].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-]


name: Oxolinic acid
cas: 14698-29-4
chebiid: CHEBI:138856
chemspiderid: 4467
dtxsid: DTXSID1021089
formula: C13H11N1O5
inchikey: KYGZCKSPAKDVKC-UHFFFAOYSA-N
norman_susdat_id: NS00010598
pubchem_cid: 4628
smiles: CCn1cc(c(=O)c2c1cc3c(c2)OCO3)C(=O)O
inchi:
InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-Heptacosafluoro-15-iodopentadecane
cas: 146983-96-2
dtxsid: DTXSID30895365
formula: C15H4F27I
inchikey: QCMDKROLEDJSMF-UHFFFAOYSA-N
norman_susdat_id: NS00110024
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
inchi:
InChI=1S/C15H4F27I/c16-3(17,1-2-43)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)42/h1-2H2


name: Y-27632
cas: 146986-50-7
chebiid: CHEBI:75393
dtxsid: DTXSID7043740
formula: C14H21N3O
inchikey: IYOZTVGMEWJPKR-IJLUTSLNSA-N
norman_susdat_id: NS00073644
smiles: C[C@@H](N)[C@@H]1CC[C@@H](C(=O)Nc2ccncc2)CC1
inchi:
InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1


name: 29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32 copper
cas: 147-14-8
chebiid: CHEBI:155903
dtxsid: DTXSID8027117
formula: C32H16CuN8
inchikey: XCJYREBRNVKWGJ-UHFFFAOYSA-N
norman_susdat_id: NS00074368
inchi:
InChI=1S/C32H16N8.Cu/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+2

smiles:
[Cu++].[N-]1C2=N/C3=N/C(=NC4=C5C=CC=CC5=C([N-]4)N=C4/N=C(/N=C1/C1=C2C=CC=C1)C1=C4C=CC=C1)/C1=C3C=CC=C1


name: Diphenylpyraline
cas: 147-20-6
chebiid: CHEBI:59788
chemspiderid: 2992
dtxsid: DTXSID3022952
formula: C19H23N1O1
inchikey: OWQUZNMMYNAXSL-UHFFFAOYSA-N
norman_susdat_id: NS00009804
pubchem_cid: 3103
smiles: CN1CCC(CC1)OC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3


name: Diphenhydramine hydrochloride
cas: 147-24-0
chebiid: CHEBI:4637
formula: C17H21NO.ClH
inchikey: PCHPORCSPXIHLZ-UHFFFAOYSA-N
norman_susdat_id: NS00079270
smiles: Cl.CN(C)CCOC(c1ccccc1)c2ccccc2
inchi:
InChI=1/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H


name: Phenethicillin
cas: 147-55-7
chemspiderid: 4595
dtxsid: DTXSID6023448
formula: C17H20N2O5S1
inchikey: NONJJLVGHLVQQM-UHFFFAOYSA-N
norman_susdat_id: NS00006393
pubchem_cid: 4759
smiles: CC(Oc1ccccc1)C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O
inchi:
InChI=1S/C17H20N2O5S/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23)


name: Cytarabine
cas: 147-94-4
chebiid: CHEBI:28680
chemspiderid: 6017
dtxsid: DTXSID3022877
formula: C9H13N3O5
inchikey: UHDGCWIWMRVCDJ-CCXZUQQUSA-N
norman_susdat_id: NS00005949
pubchem_cid: 6253
smiles: Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
inchi:
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1


name: Trovafloxacin
cas: 147059-72-1
chemspiderid: 56670
dtxsid: DTXSID0041145
formula: C20H15F3N4O3
inchikey: WVPSKSLAZQPAKQ-SOSAQKQKSA-N
norman_susdat_id: NS00002841
pubchem_cid: 11464175
smiles: NC1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F
inchi:
InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16?


name: Alcaftadine
cas: 147084-10-4
chebiid: CHEBI:71023
dtxsid: DTXSID80598455
formula: C19H21N3O
inchikey: MWTBKTRZPHJQLH-UHFFFAOYSA-N
norman_susdat_id: NS00070524
pubchem_cid: 19371515
smiles: CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
inchi:
InChI=1S/C19H21N3O/c1-21-9-6-15(7-10-21)18-17-5-3-2-4-14(17)8-11-22-16(13-23)12-20-19(18)22/h2-5,12-13H,6-11H2,1H3


name: Rosuvastatin calcium
cas: 147098-20-2
dtxsid: DTXSID9045928
formula: C44H54CaF2N6O12S2
inchikey: LALFOYNTGMUKGG-JGMJEEPBSA-L
norman_susdat_id: NS00075360
inchi:
InChI=1/2C22H28FN3O6S.Ca/c2*1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;

smiles:
[Ca++].CC(C)C1=C(C=CC(O)CC(O)CC([O-])=O)C(=NC(=N1)N(C)S(C)(=O)=O)C1=CC=C(F)C=C1.CC(C)C1=C(C=CC(O)CC(O)CC([O-])=O)C(=NC(=N1)N(C)S(C)(=O)=O)C1=CC=C(F)C=C1


name: 4-Nitro-Benzylphosphonobutanoyl-Glycine
cas: 147104-11-8
chebiid: CHEBI:63748
dtxsid: DTXSID90332302
formula: C13H17N2O8P
inchikey: LNMNPGKCSJFAGN-UHFFFAOYSA-N
norman_susdat_id: NS00068837
pubchem_cid: 449242
smiles: O=C(O)CNC(=O)CCC[P@@](=O)(O)OCc1ccc([N+](=O)[O-])cc1
inchi:
InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)


name: Rosuvastatin methyl ester
cas: 147118-40-9
chemspiderid: 31044924
dtxsid: DTXSID90163597
formula: C23H30F1N3O6S1
inchikey: SUTPUCLJAVPJRS-UHFFFAOYSA-N
norman_susdat_id: NS00004889
pubchem_cid: 71144933
smiles: COC(=O)CC(O)CC(O)C=Cc1c(nc(nc1-c1ccc(F)cc1)N(C)S(C)(=O)=O)C(C)C
inchi:
InChI=1S/C23H30FN3O6S/c1-14(2)21-19(11-10-17(28)12-18(29)13-20(30)33-4)22(15-6-8-16(24)9-7-15)26-23(25-21)27(3)34(5,31)32/h6-11,14,17-18,28-29H,12-13H2,1-5H3


name: Tenofovir
cas: 147127-20-6
chebiid: CHEBI:63625
chemspiderid: 408154
dtxsid: DTXSID9040132
formula: C9H14N5O4P1
inchikey: SGOIRFVFHAKUTI-ZCFIWIBFSA-N
norman_susdat_id: NS00000521
pubchem_cid: 464205
smiles: O=P(O)(O)CO[C@H](C)Cn1c2ncnc(c2nc1)N
inchi:
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1


cas: 147129-88-2
dtxsid: DTXSID30106680
norman_susdat_id: NS00109840
name:
Thionyl chloride, reaction products with ammonia and polymd. oxidized 1,1,2,3,3,3-hexafluoro-1-propene hydrolyzed high-boiling fraction non-aqueous phase


name: Nolatrexed
cas: 147149-76-6
dtxsid: DTXSID3048281
formula: C14H12N4OS
inchikey: XHWRWCSCBDLOLM-UHFFFAOYSA-N
norman_susdat_id: NS00068139
smiles: Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
inchi:
InChI=1S/C14H12N4OS/c1-8-2-3-10-11(13(19)18-14(15)17-10)12(8)20-9-4-6-16-7-5-9/h2-7H,1H3,(H3,15,17,18,19)


name: Cloransulam-methyl
cas: 147150-35-4
chebiid: CHEBI:3760
chemspiderid: 77968
dtxsid: DTXSID8034372
formula: C15H13Cl1F1N5O5S1
inchikey: BIKACRYIQSLICJ-UHFFFAOYSA-N
norman_susdat_id: NS00006291
pubchem_cid: 86453
smiles: CCOc1nc(F)cc2nc(nn12)S(=O)(=O)Nc1c(Cl)cccc1C(=O)OC
inchi:
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3


cas: 147159-51-1
formula: C45H58N10O9S2
inchikey: SNAJPQVDGYDQSW-DYCFWDQMSA-N
norman_susdat_id: NS00073479
pubchem_cid: 6918265
name:
2-{[16-(2-amino-3-phenylpropanamido)-7-(4-aminobutyl)-13-[(4-hydroxyphenyl)methyl]-10-(1h-indol-3-ylmethyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetraazacycloheptadecan-4-yl]formamido}-3-hydroxybutanamide

inchi:
InChI=1S/C45H58N10O9S2/c1-25(56)38(39(48)58)55-45(64)37-24-66-65-23-36(53-40(59)31(47)19-26-9-3-2-4-10-26)44(63)51-34(20-27-14-16-29(57)17-15-27)42(61)52-35(21-28-22-49-32-12-6-5-11-30(28)32)43(62)50-33(41(60)54-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,49,56-57H,7-8,13,18-21,23-24,46-47H2,1H3,(H2,48,58)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,54,60)(H,55,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1

smiles:
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O


name: 3,7,11,15-Tetramethylhexadecanoic acid
cas: 14721-66-5
chebiid: CHEBI:16285
dtxsid: DTXSID80864526
formula: C20H40O2
inchikey: RLCKHJSFHOZMDR-UHFFFAOYSA-N
norman_susdat_id: NS00075527
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
inchi:
InChI=1/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)


name: Benzyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
cas: 147224-19-9
dtxsid: DTXSID10896532
formula: C13H7F11O3
inchikey: LEVIEIRQHLCBDF-UHFFFAOYSA-N
norman_susdat_id: NS00109431
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)OCc1ccccc1)C(F)(F)F
inchi:
InChI=1/C13H7F11O3/c14-9(11(17,18)19,8(25)26-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2


name: amino-valsartan
cas: 147225-68-1
chemspiderid: NA
formula: C14H13N5
inchikey: QSRSXEHFQCQDRK-UHFFFAOYSA-N
norman_susdat_id: NS00004909
pubchem_cid: 15296916
smiles: NCc1ccc(cc1)-c1ccccc1-c1nn[nH]n1
inchi:
InChI=1S/C14H13N5/c15-9-10-5-7-11(8-6-10)12-3-1-2-4-13(12)14-16-18-19-17-14/h1-8H,9,15H2,(H,16,17,18,19)


name: Ytterbium triiodate
cas: 14723-98-9
formula: HIO3.1/3Yb
inchikey: IKOWMLKFOJYLAX-UHFFFAOYSA-K
norman_susdat_id: NS00085494
smiles: [Yb+2].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O
inchi:
InChI=1/3HIO3.Yb.2H/c3*2-1(3)4;;;/h3*(H,2,3,4);;;/q;;;+2;;/p-3/r3HIO3.H2Yb/c3*2-1(3)4;/h3*(H,2,3,4);1H2/q;;;+2/p-3


name: Ranirestat
cas: 147254-64-6
dtxsid: DTXSID80163642
formula: C17H11BrFN3O4
inchikey: QCVNMNYRNIMDKV-QGZVFWFLSA-N
norman_susdat_id: NS00068346
pubchem_cid: 153948
smiles: O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F
inchi:
InChI=1S/C17H11BrFN3O4/c18-10-4-3-9(11(19)6-10)8-21-14(24)12-2-1-5-22(12)17(16(21)26)7-13(23)20-15(17)25/h1-6H,7-8H2,(H,20,23,25)/t17-/m1/s1


name: 4-(benzoylamino)-2-methoxy-5-methylbenzenediazonium tetrachlorozincate (2:1)
cas: 14726-28-4
formula: C15H14N3O2.1/2Cl4Zn
inchikey: KIWIFIXMWIMRBZ-UHFFFAOYSA-L
norman_susdat_id: NS00085796
smiles: COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.COc3cc(NC(=O)c4ccccc4)c(C)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C15H13N3O2.4ClH.Zn/c2*1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O2.Cl4Zn/c2*1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2


name: Bis[4-benzamido-2,5-dimethoxybenzenediazonium] tetrachlorozincate(2-)
cas: 14726-29-5
formula: C15H14N3O3.1/2Cl4Zn
inchikey: LLARVKAOQLUCQI-UHFFFAOYSA-L
norman_susdat_id: NS00085797
smiles: COc1cc([N+]#N)c(OC)cc1NC(=O)c2ccccc2.COc3cc([N+]#N)c(OC)cc3NC(=O)c4ccccc4.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O3.Cl4Zn/c2*1-20-13-9-12(18-16)14(21-2)8-11(13)17-15(19)10-6-4-3-5-7-10;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2


name: 2,5-dibutoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 14726-58-0
formula: C18H28N3O3.1/2Cl4Zn
inchikey: GRTBPMSUKXZPFP-UHFFFAOYSA-J
norman_susdat_id: NS00085495
smiles: CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc3cc(N4CCOCC4)c(OCCCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C18H28N3O3.4ClH.Zn/c2*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;;;;;/h2*13-14H,3-12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H28N3O3.Cl4Zn/c2*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;1-5(2,3)4/h2*13-14H,3-12H2,1-2H3;/q2*+1;-2


name: Biphenyl-4,4'-diyl tetrakis(2,6-dimethylphenyl) bisphosphate
cas: 147263-99-8
chemspiderid: 32821370
formula: C44H44O8P2
inchikey: FFLNNRGRLMXJSR-UHFFFAOYSA-N
norman_susdat_id: NS00008557
pubchem_cid: 59749758
smiles: Cc1cccc(C)c1OP(=O)(Oc1ccc(cc1)-c1ccc(OP(=O)(Oc2c(C)cccc2C)Oc2c(C)cccc2C)cc1)Oc1c(C)cccc1C
inchi:
InChI=1S/C44H44O8P2/c1-29-13-9-14-30(2)41(29)49-53(45,50-42-31(3)15-10-16-32(42)4)47-39-25-21-37(22-26-39)38-23-27-40(28-24-38)48-54(46,51-43-33(5)17-11-18-34(43)6)52-44-35(7)19-12-20-36(44)8/h9-28H,1-8H3


name: (1a,3aÃŸ,4a,8aÃŸ,9S*)-Octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-2(1H)-one.
cas: 14727-47-0
chemspiderid: 21251068
formula: C15H24O1
inchikey: XROGGPRBZBLTOH-UHFFFAOYSA-N
norman_susdat_id: NS00013068
pubchem_cid: 23172069
smiles: CC1[C@@H]2[C@H]3[C@@H](CC2=O)[C@]1(C)CCCC3(C)C
inchi:
InChI=1S/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3/t9?,10-,12+,13-,15-/m1/s1


name: Oleyldimethylamine
cas: 14727-68-5
chemspiderid: 4767545
dtxsid: DTXSID9058604
formula: C20H41N1
inchikey: DCNHQNGFLVPROM-QXMHVHEDSA-N
norman_susdat_id: NS00024825
pubchem_cid: 5357010
smiles: CCCCCCCC/C=CCCCCCCCCN(C)C
inchi:
InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h11-12H,4-10,13-20H2,1-3H3/b12-11-


name: 1,2-Decanediol, 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-
cas: 147274-18-8
dtxsid: DTXSID10437924
formula: C10H9F13O2
inchikey: UAEMJXPBHSWBQB-UHFFFAOYSA-N
norman_susdat_id: NS00109164
smiles: OCC(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H9F13O2/c11-5(12,2-1-4(25)3-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,24-25H,1-3H2


name: Roridin A
cas: 14729-29-4
chemspiderid: 10292586
dtxsid: DTXSID00891839
formula: C29H40O9
inchikey: NSFWWJIQIKBZMJ-AEQHYAILSA-N
norman_susdat_id: NS00011679
pubchem_cid: 21677814
inchi:
InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29?/m1/s1

smiles:
C[C@@H]1CCO[C@H](/C=C/C=CC(=O)O[C@@H]2C[C@@H]3C4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@@H](C)O


cas: 147290-12-8
dtxsid: DTXSID00896703
formula: C14H6F25O3P
inchikey: DKOGAQUJJHTCEE-UHFFFAOYSA-N
norman_susdat_id: NS00109081
smiles: OP(O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradecyl)phosphonic acid

inchi:
InChI=1S/C14H6F25O3P/c15-3(16,1-2-43(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H2,40,41,42)


name: 2-(4,6-Diphenyl-s-triazin-2-yl)-5-hexyloxyphenol
cas: 147315-50-2
chemspiderid: 10628695
dtxsid: DTXSID4051299
formula: C27H27N3O2
inchikey: LEVFXWNQQSSNAC-UHFFFAOYSA-N
norman_susdat_id: NS00009561
pubchem_cid: NA
smiles: CCCCCCOc1ccc(c(O)c1)-c1nc(nc(n1)-c1ccccc1)-c1ccccc1
inchi:
InChI=1S/C27H27N3O2/c1-2-3-4-11-18-32-22-16-17-23(24(31)19-22)27-29-25(20-12-7-5-8-13-20)28-26(30-27)21-14-9-6-10-15-21/h5-10,12-17,19,31H,2-4,11,18H2,1H3


name: Loviride
cas: 147362-57-0
dtxsid: DTXSID60869958
formula: C17H16Cl2N2O2
inchikey: CJPLEFFCVDQQFZ-INIZCTEOSA-N
norman_susdat_id: NS00068812
pubchem_cid: 449080
smiles: CC(=O)c1ccc(C)cc1N[C@H](C(N)=O)c1c(Cl)cccc1Cl
inchi:
InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)/t16-/m0/s1


name: Ethyl (2-acetamido-5-fluoro-4-isothiocyanatophenoxy)acetate
cas: 147379-38-2
chemspiderid: 26558603
dtxsid: DTXSID40699795
formula: C13H13F1N2O4S1
inchikey: LGPDZCUSKSYBKL-UHFFFAOYSA-N
norman_susdat_id: NS00007002
pubchem_cid: 53428569
smiles: CCOC(=O)COc1cc(F)c(cc1NC(C)=O)N=C=S
inchi:
InChI=1S/C13H13FN2O4S/c1-3-19-13(18)6-20-12-4-9(14)10(15-7-21)5-11(12)16-8(2)17/h4-5H,3,6H2,1-2H3,(H,16,17)


name: Benzylfentanyl
cas: 1474-02-8
chemspiderid: 66493
dtxsid: DTXSID00163705
formula: C21H26N2O1
inchikey: POQDXIFVWVZVML-UHFFFAOYSA-N
norman_susdat_id: NS00015378
pubchem_cid: 252141
smiles: CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3
inchi:
InChI=1S/C21H26N2O/c1-2-21(24)23(19-11-7-4-8-12-19)20-13-15-22(16-14-20)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3


name: 3-ß,17-a,21-trihydroxypregn-5-en-20-one 21-acetate
cas: 1474-10-8
dtxsid: DTXSID30933115
formula: C23H34O5
inchikey: PIGIYBRGSJKHQI-ZGIWMXSJSA-N
norman_susdat_id: NS00044955
pubchem_cid: 102132
smiles: O=C(OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h4,16-19,25,27H,5-13H2,1-3H3


name: Estriol-3-methylether
cas: 1474-53-9
chemspiderid: 432351
formula: C19H26O3
inchikey: UHQGCIIQUZBJAE-UHFFFAOYSA-N
norman_susdat_id: NS00006437
pubchem_cid: 493983
smiles: COc1ccc2C3CCC4(C)C(O)C(O)CC4C3CCc2c1
inchi:
InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3


name: Nandrolone benzoate
cas: 1474-55-1
chebiid: CHEBI:79689
dtxsid: DTXSID20163707
formula: C25H30O3
inchikey: NZGKYNGOBSDZNY-YNFNDHOQSA-N
norman_susdat_id: NS00067960
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)C1=CC=CC=C1
inchi:
InChI=1S/C25H30O3/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/h2-6,15,19-23H,7-14H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1


name: Azilsartan
cas: 147403-03-0
chebiid: CHEBI:68850
chemspiderid: 8001032
dtxsid: DTXSID70163712
formula: C25H20N4O5
inchikey: KGSXMPPBFPAXLY-UHFFFAOYSA-N
norman_susdat_id: NS00004259
pubchem_cid: 9825285
smiles: CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
inchi:
InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)


cas: 147403-52-9
chemspiderid: 13707653
dtxsid: DTXSID70570361
formula: C26H22N4O5
inchikey: PCMXVTVLQVGYLX-UHFFFAOYSA-N
norman_susdat_id: NS00008799
pubchem_cid: 15237011
smiles: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1-c1nc(=O)o[nH]1
name:
Methyl 2-ethoxy-1-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate

inchi:
InChI=1S/C26H22N4O5/c1-3-34-25-27-21-10-6-9-20(24(31)33-2)22(21)30(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-28-26(32)35-29-23/h4-14H,3,15H2,1-2H3,(H,28,29,32)


cas: 147403-65-4
chemspiderid: 8702655
dtxsid: DTXSID10570360
formula: C25H24N4O4
inchikey: OQJREYQHKLULTR-UHFFFAOYSA-N
norman_susdat_id: NS00001029
pubchem_cid: 70700485
smiles: CCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(cc1)-c1ccccc1C(N)=NO
name:
Methyl 2-ethoxy-1-{[2'-(N'-hydroxycarbamimidoyl)[1,1'-biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate

inchi:
InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)


cas: 1474034-05-3
formula: C33H44F2N2O3
inchikey: RJCWBNBKOKFWNY-IDPLTSGASA-N
norman_susdat_id: NS00073426
pubchem_cid: 71811910
name:
N-(11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,14,14a,14b-octadecahydropicen-4a-yl)-2,2-difluoropropanamide

inchi:
InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

smiles:
CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1


name: Lanthanum(3+) stearate
cas: 14741-67-4
formula: C18H36O2.1/3La
inchikey: RWXOJQGSZWUIEJ-UHFFFAOYSA-K
norman_susdat_id: NS00085177
smiles: [La+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.La/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: [(1S,2S)-2-Hydroxy-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine N-oxide
cas: 147441-56-3
chemspiderid: 8037395
dtxsid: DTXSID70649541
formula: C16H25N1O3
inchikey: HBXKSXMNNGHBEA-ZBFHGGJFSA-N
norman_susdat_id: NS00000611
pubchem_cid: 9861699
smiles: [O-][N+](C)(C)C[C@H]2CCCC[C@]2(O)c1cc(OC)ccc1
inchi:
InChI=1S/C16H25NO3/c1-17(2,19)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)20-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1


name: Stearic acid, compound with N,N-dimethyloctadecylamine (1:1)
cas: 14745-75-6
formula: C20H43N.C18H36O2
inchikey: ZXALKJAAQSZAQQ-UHFFFAOYSA-N
norman_susdat_id: NS00085178
smiles: CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCCCCCCC(=O)O
inchi:
InChI=1/C20H43N.C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-20H2,1-3H3;2-17H2,1H3,(H,19,20)


name: 1,4-Dihydroxy-3-methyl-2-naphthyl 4-aminobenzoate
cas: 14748-94-8
chebiid: CHEBI:135317
chemspiderid: 76340
dtxsid: DTXSID00163725
formula: C18H15N1O4
inchikey: YLMPBJUYFTWHKJ-UHFFFAOYSA-N
norman_susdat_id: NS00024831
pubchem_cid: 84621
smiles: Cc1c(OC(=O)c2ccc(N)cc2)c(O)c2ccccc2c1O
inchi:
InChI=1S/C18H15NO4/c1-10-15(20)13-4-2-3-5-14(13)16(21)17(10)23-18(22)11-6-8-12(19)9-7-11/h2-9,20-21H,19H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6--Tridecafluorohexadecane
cas: 147492-59-9
chebiid: CHEBI:39042
dtxsid: DTXSID20163727
formula: C16H21F13
inchikey: FEBCMJRMESQQMH-UHFFFAOYSA-N
norman_susdat_id: NS00109492
smiles: CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H21F13/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/h2-10H2,1H3


name: 4,6-Bis[2-(4-hydroxyphenyl)propan-2-yl]benzene-1,3-diol
cas: 147504-92-5
chemspiderid: 10645579
dtxsid: DTXSID80571627
formula: C24H26O4
inchikey: SGJZXXPWUDGJSV-UHFFFAOYSA-N
norman_susdat_id: NS00024832
pubchem_cid: 15332688
smiles: CC(C)(C1=CC=C(O)C=C1)C1=CC(=C(O)C=C1O)C(C)(C)C1=CC=C(O)C=C1
inchi:
InChI=1S/C24H26O4/c1-23(2,15-5-9-17(25)10-6-15)19-13-20(22(28)14-21(19)27)24(3,4)16-7-11-18(26)12-8-16/h5-14,25-28H,1-4H3


name: 4-[ethyl(2-hydroxyethyl)amino]benzenediazonium tetrachlorozincate (2:1)
cas: 14751-97-4
formula: C10H14N3O.1/2Cl4Zn
inchikey: MQRGMLDXNFBJTF-UHFFFAOYSA-J
norman_susdat_id: NS00086275
smiles: CCN(CCO)c1ccc(cc1)[N+]#N.CCN(CCO)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H14N3O.4ClH.Zn/c2*1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;;;;/h2*3-6,14H,2,7-8H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H14N3O.Cl4Zn/c2*1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;1-5(2,3)4/h2*3-6,14H,2,7-8H2,1H3;/q2*+1;-2


name: Pitavastatin
cas: 147511-69-1
chemspiderid: 4897171
dtxsid: DTXSID1048384
formula: C25H24F1N1O4
inchikey: VGYFMXBACGZSIL-UHFFFAOYSA-N
norman_susdat_id: NS00040684
pubchem_cid: 5282452
smiles: OC(CC(O)C=Cc1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O
inchi:
InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)


name: Heptadecylbenzene
cas: 14752-75-1
chemspiderid: 76342
dtxsid: DTXSID9065815
formula: C23H40
inchikey: ZMPPFNHWXMJARX-UHFFFAOYSA-N
norman_susdat_id: NS00024833
pubchem_cid: 84623
smiles: CCCCCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3


name: Methyl N2-(N-acetylglycyl)-L-lysinate, monoacetate
cas: 14752-92-2
dtxsid: DTXSID20884768
formula: C11H21N3O4
inchikey: PXLNTOQUBJMICC-UHFFFAOYSA-N
norman_susdat_id: NS00053101
pubchem_cid: NA
smiles: O=C(NCC(=O)NCCCCC(N)C(=O)OC)C
inchi:
InChI=1/C11H21N3O4/c1-8(15)14-7-10(16)13-6-4-3-5-9(12)11(17)18-2/h9H,3-7,12H2,1-2H3,(H,13,16)(H,14,15)


name: Emd-53998
cas: 147527-31-9
dtxsid: DTXSID90923274
formula: C22H23N3O4S
inchikey: IZLRMTJLQCLMKF-CYBMUJFWSA-N
norman_susdat_id: NS00070719
pubchem_cid: 446286
smiles: COc1ccc(C(=O)N2CCCc3cc(C4=NNC(=O)S[C@@H]4C)ccc32)cc1OC
inchi:
InChI=1S/C22H23N3O4S/c1-13-20(23-24-22(27)30-13)15-6-8-17-14(11-15)5-4-10-25(17)21(26)16-7-9-18(28-2)19(12-16)29-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)/t13-/m1/s1


name: Bosentan
cas: 147536-97-8
chebiid: CHEBI:51450
chemspiderid: 94651
dtxsid: DTXSID7046627
formula: C27H29N5O6S1
inchikey: GJPICJJJRGTNOD-UHFFFAOYSA-N
norman_susdat_id: NS00008194
pubchem_cid: 104865
smiles: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1
inchi:
InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)


name: 2-{Methyl[(nonafluorobutyl)sulfonyl]amino}ethyl phosphate
cas: 147545-41-3
chemspiderid: 23349815
dtxsid: DTXSID70881343
formula: C7H9F9N1O6P1S1
inchikey: PWEZPHZIDUAWJD-UHFFFAOYSA-N
norman_susdat_id: NS00018777
pubchem_cid: 44150314
smiles: CN(CCOP(O)(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C7H9F9NO6PS/c1-17(2-3-23-24(18,19)20)25(21,22)7(15,16)5(10,11)4(8,9)6(12,13)14/h2-3H2,1H3,(H2,18,19,20)


name: Desethylchloroquine
cas: 1476-52-4
chebiid: CHEBI:166514
chemspiderid: 86173
formula: C16H22ClN3
inchikey: MCYUUUTUAAGOOT-UHFFFAOYSA-N
norman_susdat_id: NS00114009
pubchem_cid: 95478
smiles: CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
inchi:
InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)


name: Novobiocin
cas: 1476-53-5
chebiid: CHEBI:28368
chemspiderid: 10226117
formula: C31H36N2O11
inchikey: YJQPYGGHQPGBLI-KGSXXDOSSA-N
norman_susdat_id: NS00010563
pubchem_cid: 54675769
inchi:
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

smiles:
C[C@@]4(C)O[C@@H](Oc3ccc2C(O)=C(NC(=O)c1ccc(O)c(CC=C(/C)C)c1)C(=O)Oc2c3C)[C@H](O)[C@H](OC(N)=O)[C@H]4OC


name: Magnesium ATP
cas: 1476-84-2
dtxsid: DTXSID30163753
formula: C10H14MgN5O13P3
inchikey: CYYJCOXYBYJLIK-MCDZGGTQSA-L
norman_susdat_id: NS00076246
smiles: [Mg++].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C10H16N5O13P3.Mg/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1


name: Hydroquinidine hydrochloride
cas: 1476-98-8
formula: C20H26N2O2.ClH
inchikey: MULXTQKDWYBJMO-VJAUXQICSA-N
norman_susdat_id: NS00080856
smiles: Cl.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34
inchi:
InChI=1/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H


name: N,N-di-n-butyl-2-(1,2-dihydro-3-hydroxy-6-isopropyl-2-quinolylidene)-1,3-dioxoindan-5-carboxamide
cas: 147613-95-4
chemspiderid: 57440773
formula: C30H34N2O4
inchikey: KOEKGGSKIRCMGQ-UHFFFAOYSA-N
norman_susdat_id: NS00009883
pubchem_cid: 91981577
smiles: CCCCN(CCCC)C(=O)c1ccc2C(=O)C(C(=O)c2c1)=C1Nc2ccc(cc2C=C1O)C(C)C
inchi:
InChI=1S/C30H34N2O4/c1-5-7-13-32(14-8-6-2)30(36)20-9-11-22-23(16-20)29(35)26(28(22)34)27-25(33)17-21-15-19(18(3)4)10-12-24(21)31-27/h9-12,15-18,31,33H,5-8,13-14H2,1-4H3


name: 2-Imidazolidinethione, 1,1'-[1,4-piperazinediylbis(methylene)]bis-
cas: 14764-02-4
chemspiderid: 2298743
dtxsid: DTXSID4065816
formula: C12H22N6S2
inchikey: TZPIFQGYUOKWNB-UHFFFAOYSA-N
norman_susdat_id: NS00024838
pubchem_cid: 3034247
smiles: S=C1NCCN1CN1CCN(CN2CCNC2=S)CC1
inchi:
InChI=1S/C12H22N6S2/c19-11-13-1-3-17(11)9-15-5-7-16(8-6-15)10-18-4-2-14-12(18)20/h1-10H2,(H,13,19)(H,14,20)


name: Triacetoxybutylstannane
cas: 14764-54-6
dtxsid: DTXSID60163766
formula: C10H18O6Sn
inchikey: DIVTWACHZOQOBF-UHFFFAOYSA-K
norman_susdat_id: NS00053103
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C)(OC(=O)C)CCCC)C
inchi:
InChI=1/C4H9.3C2H4O2.Sn/c1-3-4-2;3*1-2(3)4;/h1,3-4H2,2H3;3*1H3,(H,3,4);/q;;;;+3/p-3/rC10H18O6Sn/c1-5-6-7-17(14-8(2)11,15-9(3)12)16-10(4)13/h5-7H2,1-4H3


name: Piperiacetildenafil
cas: 147676-50-4
chemspiderid: 13626406
formula: C24H31N5O3
inchikey: SOYQUYOYQKGWNR-UHFFFAOYSA-N
norman_susdat_id: NS00006251
pubchem_cid: 21250722
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCCCC1
inchi:
InChI=1S/C24H31N5O3/c1-4-9-18-21-22(28(3)27-18)24(31)26-23(25-21)17-14-16(10-11-20(17)32-5-2)19(30)15-29-12-7-6-8-13-29/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,25,26,31)


cas: 147676-55-9
chemspiderid: 13626412
dtxsid: DTXSID10611626
formula: C23H30N6O3
inchikey: WEOQBTNHLQVMQF-UHFFFAOYSA-N
norman_susdat_id: NS00015002
pubchem_cid: 21250728
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)CN4CCNCC4)OCC)C
name:
5-{2-Ethoxy-5-[(piperazin-1-yl)acetyl]phenyl}-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one

inchi:
InChI=1S/C23H30N6O3/c1-4-6-17-20-21(28(3)27-17)23(31)26-22(25-20)16-13-15(7-8-19(16)32-5-2)18(30)14-29-11-9-24-10-12-29/h7-8,13,24H,4-6,9-12,14H2,1-3H3,(H,25,26,31)


name: Hydroxyacetildenafil
cas: 147676-56-0
chemspiderid: 23976772
dtxsid: DTXSID10163776
formula: C25H34N6O4
inchikey: RZVZQPAGIOECPK-UHFFFAOYSA-N
norman_susdat_id: NS00014964
pubchem_cid: 29949821
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)C(=O)CN1CCN(CC1)CCO)C
inchi:
InChI=1S/C25H34N6O4/c1-4-6-19-22-23(29(3)28-19)25(34)27-24(26-22)18-15-17(7-8-21(18)35-5-2)20(33)16-31-11-9-30(10-12-31)13-14-32/h7-8,15,32H,4-6,9-14,16H2,1-3H3,(H,26,27,34)


name: Gendenafil
cas: 147676-66-2
chemspiderid: 13626362
dtxsid: DTXSID70163777
formula: C19H22N4O3
inchikey: YJBDHZKAVGNHET-UHFFFAOYSA-N
norman_susdat_id: NS00001199
pubchem_cid: 21250674
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(C)=O
inchi:
InChI=1S/C19H22N4O3/c1-5-7-14-16-17(23(4)22-14)19(25)21-18(20-16)13-10-12(11(3)24)8-9-15(13)26-6-2/h8-10H,5-7H2,1-4H3,(H,20,21,25)


name: 4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzoic acid
cas: 147676-78-6
chemspiderid: 13626460
dtxsid: DTXSID90611629
formula: C18H20N4O4
inchikey: UUNWDXYDLDBMRV-UHFFFAOYSA-N
norman_susdat_id: NS00014942
pubchem_cid: 21250779
smiles: CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)O)OCC)C
inchi:
InChI=1S/C18H20N4O4/c1-4-6-12-14-15(22(3)21-12)17(23)20-16(19-14)11-9-10(18(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,24,25)(H,19,20,23)


name: 5-(2-Ethoxy-5-nitrophenyl)-1-methyl-3-propyl-1,4-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
cas: 147676-99-1
chemspiderid: 13626476
dtxsid: DTXSID00611630
formula: C17H19N5O4
inchikey: JMINGHHRIRWKPP-UHFFFAOYSA-N
norman_susdat_id: NS00015012
pubchem_cid: 21250792
smiles: CCCc1nn(c2c1nc([nH]c2=O)c1cc(ccc1OCC)N(=O)=O)C
inchi:
InChI=1S/C17H19N5O4/c1-4-6-12-14-15(21(3)20-12)17(23)19-16(18-14)11-9-10(22(24)25)7-8-13(11)26-5-2/h7-9H,4-6H2,1-3H3,(H,18,19,23)


name: Sodium 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenylacetate
cas: 1477-04-9
formula: C14H9I3O4.Na
inchikey: BBBAIWCYEJXUMH-UHFFFAOYSA-M
norman_susdat_id: NS00081485
smiles: [Na+].Oc1ccc(Oc2c(I)cc(CC(=O)[O-])cc2I)cc1I
inchi:
InChI=1/C14H9I3O4.Na/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20;/h1-4,6,18H,5H2,(H,19,20);/q;+1/p-1


name: Noracymethadol
cas: 1477-39-0
chebiid: CHEBI:176690
formula: C22H29NO2
inchikey: VWCUGCYZZGRKEE-UHFFFAOYSA-N
norman_susdat_id: NS00045445
pubchem_cid: 15129
smiles: O=C(OC(CC)C(C=1C=CC=CC1)(C=2C=CC=CC2)CC(NC)C)C
inchi:
InChI=1/C22H29NO2/c1-5-21(25-18(3)24)22(16-17(2)23-4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17,21,23H,5,16H2,1-4H3


name: levacetylmethadol
cas: 1477-40-3
chemspiderid: 56457
formula: C23H31N1O2
inchikey: XBMIVRRWGCYBTQ-GCJKJVERSA-N
norman_susdat_id: NS00007427
pubchem_cid: 62710
smiles: CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22+/m1/s1


name: N,N'-bis(dichloroacetyl)-1,8-octamethylenediamine
cas: 1477-57-2
chebiid: CHEBI:90441
chemspiderid: 14405
dtxsid: DTXSID80163783
formula: C12H20Cl4N2O2
inchikey: FAOMZVDZARKPFJ-UHFFFAOYSA-N
norman_susdat_id: NS00024842
pubchem_cid: 15134
smiles: ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl
inchi:
InChI=1S/C12H20Cl4N2O2/c13-9(14)11(19)17-7-5-3-1-2-4-6-8-18-12(20)10(15)16/h9-10H,1-8H2,(H,17,19)(H,18,20)


name: Methyl 7a,12a-dihydroxy-3-oxo-5ß-cholan-24-oate
cas: 14772-99-7
dtxsid: DTXSID70933199
formula: C25H40O5
inchikey: CIZOGAIBGCZRCL-PXOOZVEKSA-N
norman_susdat_id: NS00053105
pubchem_cid: 11122654
smiles: O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C
inchi:
InChI=1/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3


cas: 147741-93-3
chemspiderid: NA
formula: C34H35N5O4S1
inchikey: LCSYKIIQYWRRIU-UHFFFAOYSA-N
norman_susdat_id: NS00009415
pubchem_cid: 60078752
smiles: CCCCN(CCCC)c1nc(c(C=C2C(C)=C(C#N)C(=O)N(N(C(C)=O)C(=O)c3ccccc3)C2=O)s1)-c1ccccc1
name:
N-acetyl-N-[5-cyano-3-(2-dibutylamino-4-phenylthiazol-5-yl-methylene)-4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyridin-1-yl]benzamide

inchi:
InChI=1S/C34H35N5O4S/c1-5-7-19-37(20-8-6-2)34-36-30(25-15-11-9-12-16-25)29(44-34)21-27-23(3)28(22-35)33(43)39(32(27)42)38(24(4)40)31(41)26-17-13-10-14-18-26/h9-18,21H,5-8,19-20H2,1-4H3


name: 3-Methyl-1-(2-piperidinophenyl)-1-butylamine, (S)-
cas: 147769-93-5
chemspiderid: 8597481
dtxsid: DTXSID10163796
formula: C16H26N2
inchikey: CARYLRSDNWJCJV-UHFFFAOYSA-N
norman_susdat_id: NS00001530
pubchem_cid: 10422052
smiles: CC(C)CC(N)c1ccccc1N1CCCCC1
inchi:
InChI=1S/C16H26N2/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3


name: 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine dimalonate
cas: 14777-25-4
chebiid: CHEBI:31978
formula: C20H25N3S.2C3H4O4
inchikey: LXOKLRDDOBCJJT-UHFFFAOYSA-N
norman_susdat_id: NS00085575
smiles: CN1CCN(CCCN2c3ccccc3Sc4ccccc24)CC1.OC(=O)CC(=O)O.OC(=O)CC(=O)O
inchi:
InChI=1/C20H25N3S.2C3H4O4/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23;2*4-2(5)1-3(6)7/h2-5,7-10H,6,11-16H2,1H3;2*1H2,(H,4,5)(H,6,7)


name: Repaglinide ethyl ester
cas: 147770-06-7
chemspiderid: 13639394
dtxsid: DTXSID30163798
formula: C29H40N2O4
inchikey: FTCMVLQJMIXDSI-UHFFFAOYSA-N
norman_susdat_id: NS00008109
pubchem_cid: 13729227
smiles: CCOC(=O)c1ccc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)cc1OCC
inchi:
InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)


name: pregnan-3-one, (5.alpha.)-
cas: 14778-11-1
dtxsid: DTXSID10880911
formula: C21H34O
inchikey: JMAPHBFIBIHSIT-PMJYHDSJSA-N
norman_susdat_id: NS00096125
smiles: CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H34O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h14-15,17-19H,4-13H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-/m0/s1


name: Mequitazine
cas: 147780-50-5
dtxsid: DTXSID4048771
formula: C20H22N2S
inchikey: HOKDBMAJZXIPGC-INIZCTEOSA-N
norman_susdat_id: NS00098869
pubchem_cid: 6992284
smiles: c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2
inchi:
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1


name: Propanedioic acid, [(4-methoxyphenyl)methylene]-, bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester
cas: 147783-69-5
chemspiderid: 144189
dtxsid: DTXSID0073114
formula: C31H48N2O5
inchikey: CMXLJKWFEJEFJE-UHFFFAOYSA-N
norman_susdat_id: NS00009057
pubchem_cid: 164473
smiles: COc1ccc(C=C(C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)cc1
inchi:
InChI=1S/C31H48N2O5/c1-28(2)17-23(18-29(3,4)32(28)9)37-26(34)25(16-21-12-14-22(36-11)15-13-21)27(35)38-24-19-30(5,6)33(10)31(7,8)20-24/h12-16,23-24H,17-20H2,1-11H3


name: CAY10683
cas: 1477949-42-0
chemspiderid: 30771263
formula: C15H22N2O3
inchikey: HTOYBIILVCHURC-UHFFFAOYSA-N
norman_susdat_id: NS00018315
pubchem_cid: 72946782
smiles: CCOC(=O)NCCCC(=O)NCCC1=CC=CC=C1
inchi:
InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)


name: Bisphenol AF
cas: 1478-61-1
chebiid: CHEBI:72754
chemspiderid: 81900
dtxsid: DTXSID7037717
formula: C15H10F6O2
inchikey: ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
norman_susdat_id: NS00011437
pubchem_cid: 73864
smiles: C2=C(C(C(F)(F)F)(C(F)(F)F)C1=CC=C([O-])C=C1)C=CC(=C2)[O-].[K+].[K+]
inchi:
InChI=1S/C15H10F6O2.2K/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;;/h1-8,22-23H;;/q;2*+1/p-2


name: Siramesine
cas: 147817-50-3
dtxsid: DTXSID90163810
formula: C30H31FN2O
inchikey: XWAONOGAGZNUSF-UHFFFAOYSA-N
norman_susdat_id: NS00068590
pubchem_cid: 9829526
smiles: Fc1ccc(-n2cc(CCCCN3CCC4(CC3)OCc3ccccc34)c3ccccc32)cc1
inchi:
InChI=1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2


name: (ethyl 3-oxobutyrato-O1',O3)bis(propan-2-olato)aluminium
cas: 14782-75-3
formula: C12H23AlO5
inchikey: ZJAOQCBTNKQXCJ-UHFFFAOYSA-N
norman_susdat_id: NS00086286
smiles: CCOC1CC(C)O[Al](OC(C)C)(OC(C)C)O1
inchi:
InChI=1/C6H12O3.2C3H7O.Al/c1-3-9-6(8)4-5(2)7;2*1-3(2)4;/h5-6H,3-4H2,1-2H3;2*3H,1-2H3;/q-2;2*-1;+3/rC12H26AlO5/c1-7-14-12-8-11(6)17-13(18-12,15-9(2)3)16-10(4)5/h9-12H,7-8H2,1-6H3/q-1


name: CA-074-Me
cas: 147859-80-1
dtxsid: DTXSID50881386
formula: C19H31N3O6
inchikey: XGWSRLSPWIEMLQ-YTFOTSKYSA-N
norman_susdat_id: NS00069935
pubchem_cid: 6610318
smiles: CCCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC
inchi:
InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1


name: 1,1,1,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodecane-2,4-dione
cas: 147874-76-8
dtxsid: DTXSID30379791
formula: C10H2F16O2
inchikey: ZFNFUONJWJUELL-UHFFFAOYSA-N
norman_susdat_id: NS00109855
smiles: FC(F)(F)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H2F16O2/c11-4(12,2(27)1-3(28)5(13,14)15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1H2


name: N-[8-(Heptafluoropropyl)-9H-purin-6-yl]acetamide
cas: 147916-78-7
dtxsid: DTXSID50896218
formula: C10H6F7N5O
inchikey: MHGACOGUAGEXMU-UHFFFAOYSA-N
norman_susdat_id: NS00110772
smiles: CC(=O)Nc1ncnc2Nc(nc12)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F7N5O/c1-3(23)20-5-4-6(19-2-18-5)22-7(21-4)8(11,12)9(13,14)10(15,16)17/h2H,1H3,(H2,18,19,20,21,22,23)


name: 8-(Heptafluoropropyl)adenosine
cas: 147916-81-2
dtxsid: DTXSID50896738
formula: C13H12F7N5O4
inchikey: YDSSWKLQGNLUCE-UUOKFMHZSA-N
norman_susdat_id: NS00110822
smiles: Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(nc12)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H12F7N5O4/c14-11(15,12(16,17)13(18,19)20)10-24-4-7(21)22-2-23-8(4)25(10)9-6(28)5(27)3(1-26)29-9/h2-3,5-6,9,26-28H,1H2,(H2,21,22,23)/t3-,5-,6-,9-/m1/s1


name: 1-[10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl]propan-1-one phosphate
cas: 14796-43-1
formula: C20H24N2OS.H3O4P
inchikey: WUPBGYIUUDMXNM-UHFFFAOYSA-N
norman_susdat_id: NS00085576
smiles: OP(O)(=O)O.CCC(=O)c1cc2N(CCCN(C)C)c3ccccc3Sc2cc1
inchi:
InChI=1/C20H24N2OS.H3O4P/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;1-5(2,3)4/h5-6,8-11,14H,4,7,12-13H2,1-3H3;(H3,1,2,3,4)


name: Strontium dipalmitate
cas: 14796-95-3
formula: C16H32O2.1/2Sr
inchikey: FFWPRAMVYXHCAT-UHFFFAOYSA-L
norman_susdat_id: NS00085195
smiles: [Sr+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Strontium diicosanoate
cas: 14796-97-5
formula: C20H40O2.1/2Sr
inchikey: ZTSSNRGVRVQJLC-UHFFFAOYSA-L
norman_susdat_id: NS00085484
smiles: [Sr+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Sr/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: 1,1,3,5,5-Pentamethyl-1,5-bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl)trisiloxane
cas: 147986-73-0
dtxsid: DTXSID70895642
formula: C17H24F18O2Si3
inchikey: HUTZLVJBHGQMEV-UHFFFAOYSA-N
norman_susdat_id: NS00111424
smiles: C[SiH](O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H24F18O2Si3/c1-38(36-39(2,3)8-6-10(18,19)12(22,23)14(26,27)16(30,31)32)37-40(4,5)9-7-11(20,21)13(24,25)15(28,29)17(33,34)35/h38H,6-9H2,1-5H3


name: (cyclopropylmethyl)triphenylphosphonium bromide
cas: 14799-82-7
dtxsid: DTXSID30933271
formula: C22H22P
inchikey: WFQSHRSBITUSIB-UHFFFAOYSA-M
norman_susdat_id: NS00052343
pubchem_cid: 3084208
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4CC4
inchi:
InChI=1/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;/p-1


name: 3,4-dihydro-2,5,8-trimethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol
cas: 148-03-8
dtxsid: DTXSID10873424
formula: C28H48O2
inchikey: WGVKWNUPNGFDFJ-UHFFFAOYSA-N
norman_susdat_id: NS00041319
pubchem_cid: 86052
smiles: OC=1C=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C
inchi:
InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3


name: Tetrasodium benzene-1,2,4,5-tetracarboxylate
cas: 148-04-9
formula: C10H6O8.4Na
inchikey: MUZPXEPSRLGFMT-UHFFFAOYSA-J
norman_susdat_id: NS00079267
smiles: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C10H6O8.4Na/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);;;;/q;4*+1/p-4


name: 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-
cas: 148-25-4
chebiid: CHEBI:1751
chemspiderid: 60557
dtxsid: DTXSID6059732
formula: C10H8O8S2
inchikey: HLVXFWDLRHCZEI-UHFFFAOYSA-N
norman_susdat_id: NS00021014
pubchem_cid: 4368945
smiles: Oc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)


name: Acetamide, N-[2-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-5-methylphenyl]-
cas: 148-39-0
chemspiderid: 7845516
dtxsid: DTXSID1059733
formula: C15H14N4O5
inchikey: FALQNKUJCMXVBL-UHFFFAOYSA-N
norman_susdat_id: NS00024853
pubchem_cid: NA
smiles: CC(=O)Nc1c(O)c(N/N=C/2C=C(C=CC2=O)[N+](=O)[O-])cc(C)c1
inchi:
InChI=1S/C15H14N4O5/c1-8-5-12(16-9(2)20)15(22)13(6-8)18-17-11-7-10(19(23)24)3-4-14(11)21/h3-7,18,22H,1-2H3,(H,16,20)/b17-11+


name: 5-Amino-2-((2-methoxyphenyl)amino)benzenesulphonic acid
cas: 148-54-9
chemspiderid: 60690
dtxsid: DTXSID00163861
formula: C13H14N2O4S1
inchikey: KWQMSQIIPCKLHJ-UHFFFAOYSA-N
norman_susdat_id: NS00024864
pubchem_cid: 67360
smiles: COc1c(Nc2c(cc(N)cc2)S(=O)(=O)O)cccc1
inchi:
InChI=1S/C13H14N2O4S/c1-19-12-5-3-2-4-10(12)15-11-7-6-9(14)8-13(11)20(16,17)18/h2-8,15H,14H2,1H3,(H,16,17,18)


name: Flumethiazide
cas: 148-56-1
chebiid: CHEBI:135404
dtxsid: DTXSID60163862
formula: C8H6F3N3O4S2
inchikey: RGUQWGXAYZNLMI-UHFFFAOYSA-N
norman_susdat_id: NS00041520
pubchem_cid: 8992
smiles: O=S1(=O)N=CNC=2C=C(C(=CC21)S(=O)(=O)N)C(F)(F)F
inchi:
InChI=1/C8H6F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-3H,(H,13,14)(H2,12,15,16)


name: 2-(ethylmercuriothio)benzoic acid
cas: 148-61-8
chebiid: CHEBI:33214
formula: C9H9HgO2S.H
inchikey: HXQVQGWHFRNKMS-UHFFFAOYSA-M
norman_susdat_id: NS00079080
smiles: CC[Hg]Sc1ccccc1C(=O)O
inchi:
InChI=1/C7H6O2S.C2H5.Hg/c8-7(9)5-3-1-2-4-6(5)10;1-2;/h1-4,10H,(H,8,9);1H2,2H3;/q;;+1/p-1/rC9H10HgO2S/c1-2-10-13-8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)


name: Pilocarpine nitrate
cas: 148-72-1
formula: C11H16N2O2.HNO3
inchikey: PRZXEPJJHQYOGF-GNAZCLTHSA-N
norman_susdat_id: NS00079464
smiles: CC[C@H]1[C@@H](Cc2cncn2C)COC1=O.O[N+](=O)[O-]
inchi:
InChI=1/C11H16N2O2.HNO3/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;2-1(3)4/h5,7-8,10H,3-4,6H2,1-2H3;(H,2,3,4)


name: 3-Hydroxynaphthalene-2,7-disulfonic acid
cas: 148-75-4
chemspiderid: 8350
dtxsid: DTXSID6045032
formula: C10H8O7S2
inchikey: USWINTIHFQKJTR-UHFFFAOYSA-N
norman_susdat_id: NS00024872
pubchem_cid: 8674
smiles: Oc1c(cc2cc(ccc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C10H8O7S2/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)


name: melphalan
cas: 148-82-3
chebiid: CHEBI:82339
chemspiderid: 3913
formula: C13H18Cl2N2O2
inchikey: SGDBTWWWUNNDEQ-UHFFFAOYSA-N
norman_susdat_id: NS00007007
pubchem_cid: 4053
smiles: NC(Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O
inchi:
InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)


name: Ostruthin
cas: 148-83-4
chebiid: CHEBI:69833
formula: C19H22O3
inchikey: INBMTJJPUABOQJ-VGOFMYFVSA-N
norman_susdat_id: NS00097049
smiles: CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C
inchi:
InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+


name: [1,1'-Biphenyl]-4-carboxylic acid, 4',4'''-azobis-
cas: 148-85-6
chemspiderid: 60612
dtxsid: DTXSID1059735
formula: C26H18N2O4
inchikey: QODCKSFTCDHBIO-UHFFFAOYSA-N
norman_susdat_id: NS00024873
pubchem_cid: 67280
smiles: OC(=O)c1ccc(cc1)c1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)C(=O)O
inchi:
InChI=1S/C26H18N2O4/c29-25(30)21-5-1-17(2-6-21)19-9-13-23(14-10-19)27-28-24-15-11-20(12-16-24)18-3-7-22(8-4-18)26(31)32/h1-16H,(H,29,30)(H,31,32)/b28-27+


name: Fluanisone
cas: 1480-19-9
chemspiderid: 14410
dtxsid: DTXSID4045711
formula: C21H25F1N2O2
inchikey: IRYFCWPNDIUQOW-UHFFFAOYSA-N
norman_susdat_id: NS00003743
pubchem_cid: 15139
smiles: COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
inchi:
InChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3


name: 2-ethylhexyl hydrogen -2-ethylhexylphosphonate
cas: 14802-03-0
dtxsid: DTXSID30864536
formula: C16H35O3P
inchikey: ZDFBXXSHBTVQMB-UHFFFAOYSA-N
norman_susdat_id: NS00052344
pubchem_cid: 85771
smiles: O=P(O)(OCC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C16H35O3P/c1-5-9-11-15(7-3)13-19-20(17,18)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)


name: spiroxamin-N-oxid
cas: 148044-85-3
chemspiderid: NA
formula: C18H35N1O3
inchikey: QASCBKIDDFXULU-UHFFFAOYSA-N
norman_susdat_id: NS00006947
pubchem_cid: 102298116
smiles: CCCN(=O)(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1
inchi:
InChI=1S/C18H35NO3/c1-6-12-19(20,7-2)13-16-14-21-18(22-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3


name: N,N'-bis(2,4-dinitrophenyl)oxamide
cas: 14805-54-0
dtxsid: DTXSID50933293
formula: C14H12N6O10
inchikey: NRBLVWUJTCZMHI-UHFFFAOYSA-N
norman_susdat_id: NS00051906
pubchem_cid: 84655
smiles: O=C(NC1=CC=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C14H8N6O10/c21-13(15-9-3-1-7(17(23)24)5-11(9)19(27)28)14(22)16-10-4-2-8(18(25)26)6-12(10)20(29)30/h1-6H,(H,15,21)(H,16,22)


name: 3-ethyl-2-[5-(3-ethyl-3H-benzoxazol-2-ylidene)penta-1,3-dienyl]benzoxazolium iodide
cas: 14806-50-9
chebiid: CHEBI:51899
dtxsid: DTXSID50884771
formula: C23H23N2O2
inchikey: CLDZYSUDOQXJOU-UHFFFAOYSA-M
norman_susdat_id: NS00052250
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2N(C1=CC=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C23H23N2O2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: Atorvastatin IMP D (epoxide)
cas: 148146-51-4
chemspiderid: 10150074
formula: C26H22FNO4
inchikey: AAEQXEDPVFIFDK-UHFFFAOYSA-N
norman_susdat_id: NS00101001
pubchem_cid: 11976726
smiles: CC(C)C(=O)C1(C(O1)(c2ccccc2)C(=O)c3ccc(cc3)F)C(=O)Nc4ccccc4
inchi:
InChI=1S/C26H22FNO4/c1-17(2)22(29)26(24(31)28-21-11-7-4-8-12-21)25(32-26,19-9-5-3-6-10-19)23(30)18-13-15-20(27)16-14-18/h3-17H,1-2H3,(H,28,31)


name: Chlorphoxim
cas: 14816-20-7
chebiid: CHEBI:82108
chemspiderid: 25077
dtxsid: DTXSID9057979
formula: C12H14Cl1N2O3P1S1
inchikey: GQKRUMZWUHSLJF-NTCAYCPXSA-N
norman_susdat_id: NS00015280
pubchem_cid: 9570291
smiles: CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1Cl
inchi:
InChI=1S/C12H14ClN2O3PS/c1-3-16-19(20,17-4-2)18-15-12(9-14)10-7-5-6-8-11(10)13/h5-8H,3-4H2,1-2H3/b15-12+


name: N-[2-hydroxy-5-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulphonamide monohydrochloride
cas: 14816-67-2
dtxsid: DTXSID60933320
formula: C12H20N2O4S
inchikey: LTQWQTNRIBKUMN-UHFFFAOYSA-N
norman_susdat_id: NS00053165
pubchem_cid: 26162
smiles: Cl.O=S(=O)(NC1=CC(=CC=C1O)C(O)CNC(C)C)C
inchi:
InChI=1/C12H20N2O4S.ClH/c1-8(2)13-7-12(16)9-4-5-11(15)10(6-9)14-19(3,17)18;/h4-6,8,12-16H,7H2,1-3H3;1H


name: 1-(1-Piperidinyl)-2-(triphenylphosphoranylidene)perfluorohexane-1,3-dione
cas: 148192-46-5
dtxsid: DTXSID50897487
formula: C29H25F7NO2P
inchikey: LMMKESTXRCLSNQ-UHFFFAOYSA-N
norman_susdat_id: NS00110837
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)C(C(=O)N1CCCCC1)=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C29H25F7NO2P/c30-27(31,28(32,33)29(34,35)36)25(38)24(26(39)37-19-11-4-12-20-37)40(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18H,4,11-12,19-20H2


cas: 148240-79-3
dtxsid: DTXSID60883053
norman_susdat_id: NS00111001
name:
Fatty acids, C18-unsatd., trimers, 2-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]ethyl esters


cas: 148240-85-1
dtxsid: DTXSID00883037
norman_susdat_id: NS00108927
name:
1,3-Propanediol, 2,2-bis[[(gamma-omega-perfluoro-C4-10-alkyl)thio]methyl], derivs., phosphates, ammonium salts


cas: 148240-87-3
chemspiderid: NA
dtxsid: DTXSID90883046
formula: C17H20F18O8P2S2
inchikey: OZZUTUAAZBZUQA-UHFFFAOYSA-N
norman_susdat_id: NS00006087
pubchem_cid: NA
smiles: OP(O)(=O)OCC(COP(O)(O)=O)(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
1,3-Propanediol, 2,2-bis[[(gamma-omega-perfluoro-C6-12-alkyl)thio]methyl] derivs., phosphates, ammonium salts

inchi:
InChI=1S/C17H20F18O8P2S2/c18-10(19,12(22,23)14(26,27)16(30,31)32)1-3-46-7-9(5-42-44(36,37)38,6-43-45(39,40)41)8-47-4-2-11(20,21)13(24,25)15(28,29)17(33,34)35/h1-8H2,(H2,36,37,38)(H2,39,40,41)


cas: 148240-89-5
chemspiderid: NA
dtxsid: DTXSID60883038
formula: C21H20F26O8P2S2
inchikey: MCMGVEGOCBOROX-UHFFFAOYSA-N
norman_susdat_id: NS00006046
pubchem_cid: NA
name:
1,3-Propanediol, 2,2-bis[[(gamma-omega-perfluoro-C10-20-alkyl)thio]methyl] derivs., phosphates, ammonium salts

inchi:
InChI=1S/C21H20F26O8P2S2/c22-10(23,12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)1-3-58-7-9(5-54-56(48,49)50,6-55-57(51,52)53)8-59-4-2-11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h1-8H2,(H2,48,49,50)(H2,51,52,53)

smiles:
OP(O)(=O)OCC(COP(O)(O)=O)(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 1482416-51-2
dtxsid: DTXSID50896490
formula: C13BrF27O4
inchikey: IWTUOKVDRWNISV-UHFFFAOYSA-N
norman_susdat_id: NS00110799
smiles: FC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)Br)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
1-Bromo-1,1,2,2,4,5,5,7,8,8,10,11,11,13,13,14,14,14-octadecafluoro-4,7,10-tris(trifluoromethyl)-3,6,9,12-tetraoxatetradecane

inchi:
InChI=1/C13BrF27O4/c14-4(18,19)12(38,39)44-2(16,6(23,24)25)10(34,35)42-1(15,5(20,21)22)9(32,33)43-3(17,7(26,27)28)11(36,37)45-13(40,41)8(29,30)31


cas: 1482416-52-3
dtxsid: DTXSID10896491
formula: C16BrF33O5
inchikey: VAXWUAHPDZRLAP-UHFFFAOYSA-N
norman_susdat_id: NS00109427
name:
1-Bromo-1,1,2,2,4,5,5,7,8,8,10,11,11,13,14,14,16,16,17,17,17-henicosafluoro-4,7,10,13-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecane

inchi:
InChI=1/C16BrF33O5/c17-5(22,23)15(47,48)54-3(20,8(30,31)32)13(43,44)52-1(18,6(24,25)26)11(39,40)51-2(19,7(27,28)29)12(41,42)53-4(21,9(33,34)35)14(45,46)55-16(49,50)10(36,37)38

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


name: 9,10-bis(phenylethynyl)-9,10-dihydroanthracene-9,10-diol
cas: 14825-85-5
dtxsid: DTXSID3065821
formula: C30H20O2
inchikey: QLNUHXMKEJWHAP-UHFFFAOYSA-N
norman_susdat_id: NS00053166
pubchem_cid: 85775
smiles: OC1(C#CC=2C=CC=CC2)C=3C=CC=CC3C(O)(C#CC=4C=CC=CC4)C=5C=CC=CC51
inchi:
InChI=1/C30H20O2/c31-29(21-19-23-11-3-1-4-12-23)25-15-7-9-17-27(25)30(32,28-18-10-8-16-26(28)29)22-20-24-13-5-2-6-14-24/h1-18,31-32H


name: 2-Hexyldecyl 4-hydroxybenzoate
cas: 148348-12-3
chemspiderid: NA
formula: C23H38O3
inchikey: AWTUIOQHXHBRDW-UHFFFAOYSA-N
norman_susdat_id: NS00001560
pubchem_cid: 22218872
smiles: CCCCCCCCC(CCCCCC)COC(=O)C1=CC=C(C=C1)O
inchi:
InChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3


name: (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
cas: 14835-43-9
chebiid: CHEBI:15579
chemspiderid: 389388
dtxsid: DTXSID70331494
formula: C33H54O8
inchikey: ZNEIIZNXGCIAAL-TXUJEBAWSA-N
norman_susdat_id: NS00094783
pubchem_cid: 440454
inchi:
InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1

smiles:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@]11CC[C@H](C)CO1


cas: 14835-74-6
formula: C23H14Cl2N6O11S3.3Na
inchikey: VLGCZPPVSMOINE-UHFFFAOYSA-K
norman_susdat_id: NS00085232
name:
Trisodium 5-amino-8-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate

inchi:
InChI=1/C23H14Cl2N6O11S3.3Na/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)19(33)15-9(18(16)32)2-6-13(43(34,35)36)20(15)45(40,41)42;;;/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Nc1ccc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2)S(=O)(=O)[O-])c4C(=O)c5c(ccc(c5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)c14


name: Fradafiban
cas: 148396-36-5
chebiid: CHEBI:73266
dtxsid: DTXSID70163979
formula: C20H21N3O4
inchikey: IKZACQMAVUIGPY-HOTGVXAUSA-N
norman_susdat_id: NS00069200
smiles: N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1
inchi:
InChI=1S/C20H21N3O4/c21-19(22)14-3-1-12(2-4-14)13-5-7-17(8-6-13)27-11-16-9-15(10-18(24)25)20(26)23-16/h1-8,15-16H,9-11H2,(H3,21,22)(H,23,26)(H,24,25)/t15-,16-/m0/s1


name: Sodium 2-(p-aminoanilino)-5-nitrobenzenesulphonate
cas: 14846-08-3
formula: C12H11N3O5S.Na
inchikey: XSXRGWHJJRBOGQ-UHFFFAOYSA-M
norman_susdat_id: NS00085233
smiles: [Na+].Nc1ccc(Nc2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])cc1
inchi:
InChI=1/C12H11N3O5S.Na/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20;/h1-7,14H,13H2,(H,18,19,20);/q;+1/p-1


name: 2-Naphthalenol, 1-[(2-hydroxy-5-nitrophenyl)azo]-
cas: 14847-54-2
chemspiderid: 7850459
dtxsid: DTXSID3065823
formula: C16H11N3O4
inchikey: JCELUWDKTLANOY-UHFFFAOYSA-N
norman_susdat_id: NS00024859
pubchem_cid: NA
smiles: Oc1c(N/N=C/2C(=O)C=Cc3ccccc23)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H11N3O4/c20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,17,20H/b18-16-


name: 2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 14847-56-4
formula: C16H14N5O4
inchikey: ZAIHMYMWUJGVFK-UHFFFAOYSA-N
norman_susdat_id: NS00053188
pubchem_cid: 4106970
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)[N+](=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22/h2-9,15,22H,1H3


name: CTX-3C
cas: 148471-85-6
dtxsid: DTXSID80880105
formula: C57H82O16
inchikey: BFXGFCYTZARNGN-XHDDPMCTSA-N
norman_susdat_id: NS00075612
inchi:
InChI=1/C57H82O16/c1-28-22-39-41(25-45-51(70-39)30(3)49(59)55-52(71-45)29(2)31(4)57(73-55)19-11-21-62-57)67-43-27-48-56(5,72-44(43)23-28)47(58)26-42-35(68-48)13-7-6-12-32-33(65-42)15-10-16-34-36(63-32)17-18-37-40(64-34)24-46-54(69-37)50(60)53-38(66-46)14-8-9-20-61-53/h6-10,15,17-18,28-55,58-60H,11-14,16,19-27H2,1-5H3/b7-6+,15-10-/t28-,29+,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40+,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51-,52-,53+,54-,55+,56+,57-/s2

smiles:
[H][C@@]12C[C@]3([H])O[C@]4([H])CC=C/[C@]5([H])O[C@]6([H])C[C@H](O)[C@]7(C)O[C@]8([H])C[C@H](C)C[C@]9([H])O[C@]%10([H])[C@@H](C)[C@H](O)[C@]%11([H])O[C@]%12(CCCO%12)[C@@H](C)[C@H](C)[C@@]%11([H])O[C@@]%10([H])C[C@@]9([H])O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])CC=CC[C@@]5([H])O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@H](O)[C@@]1([H])OCC=CC[C@]1([H])O2


name: Spirodiclofen-enol (AE 1344098)
cas: 148476-22-6
chemspiderid: 23349830
formula: C15H14Cl2O3
inchikey: KIKARNYYJSEROI-UHFFFAOYSA-N
norman_susdat_id: NS00009794
pubchem_cid: 54719923
smiles: OC1=C(C(=O)OC11CCCCC1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C15H14Cl2O3/c16-9-4-5-10(11(17)8-9)12-13(18)15(20-14(12)19)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7H2


name: Spirodiclofen
cas: 148477-71-8
chebiid: CHEBI:38639
chemspiderid: 154839
dtxsid: DTXSID6034928
formula: C21H24Cl2O4
inchikey: DTDSAWVUFPGDMX-UHFFFAOYSA-N
norman_susdat_id: NS00006322
pubchem_cid: 177863
smiles: CCC(C)(C)C(=O)OC1=C(C(=O)OC11CCCCC1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3


name: Fosfestrol disodium
cas: 1484-95-8
formula: C18H22O8P2.2Na
inchikey: OPZDSBAHQHNXRQ-UHFFFAOYSA-N
norman_susdat_id: NS00082677
smiles: [Na+].[Na+].O=P(O)(O)Oc1ccc(cc1)C(CC)=C(CC)c2ccc(OP(O)(O)=O)cc2
inchi:
InChI=1/C18H22O8P2.2Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;/q;2*+1


name: 4-Amino-N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulfonyl)-2-hydroxybenzamide
cas: 148516-54-5
chemspiderid: 32675203
formula: C16H25N3O4S1
inchikey: XBIBUXBARDPHCJ-UHFFFAOYSA-N
norman_susdat_id: NS00000723
pubchem_cid: 70650729
smiles: S(=O)(c1c(N)cc(O)c(C(NCC2N(CC)CCC2)=O)c1)(CC)=O
inchi:
InChI=1S/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21)


name: Sodium 2-(2-hexadecyloxyethoxy)ethyl sulphate
cas: 14858-55-0
dtxsid: DTXSID00164010
formula: C20H42O6S
inchikey: PVFDZFXVVPTVAO-UHFFFAOYSA-M
norman_susdat_id: NS00051948
pubchem_cid: 3014868
smiles: [Na+].O=S(=O)([O-])OCCOCCOCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-18-25-19-20-26-27(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1


name: 3-O-Methylquercetin
cas: 1486-70-0
chebiid: CHEBI:16860
dtxsid: DTXSID20164032
formula: C16H12O7
inchikey: WEPBGSIAWZTEJR-UHFFFAOYSA-N
norman_susdat_id: NS00097338
smiles: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
inchi:
InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3


name: Iron dipicrate
cas: 14866-25-2
formula: C6H3N3O7.1/2Fe
inchi: InChI=1/2C6H3N3O7.Fe/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;/q;;+2/p-2
inchikey: UVGBHHDZLVBFAS-UHFFFAOYSA-L
norman_susdat_id: NS00085915
smiles:
[Fe+2].[O-]c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: Tetradodecylammonium bromide
cas: 14866-34-3
dtxsid: DTXSID40933444
formula: C48H100N
inchikey: SMEFTBPJZGVAPK-UHFFFAOYSA-M
norman_susdat_id: NS00052595
pubchem_cid: 3014871
smiles: [Br-].CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C48H100N.BrH/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4;/h5-48H2,1-4H3;1H/q+1;/p-1


name: Hexadecyltriphenylphosphonium bromide
cas: 14866-43-4
dtxsid: DTXSID00933445
formula: C34H48P
inchikey: UXMZNEHSMYESLH-UHFFFAOYSA-M
norman_susdat_id: NS00053647
pubchem_cid: 3084210
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1


cas: 148684-79-1
dtxsid: DTXSID90106727
norman_susdat_id: NS00111890
name:
Sulfonamides, C4-8-alkane, perfluoro, N-(hydroxyethyl)-N-methyl, reaction products with 1,6-diisocyanatohexane homopolymer and ethylene glycol


name: (±)-1-(3-hydroxy-7-methyl-2,4-dioxa-7-aza-3-phosphaoct-1-yl)ethylene dipalmitate P-oxide
cas: 1487-55-4
dtxsid: DTXSID20933462
formula: C39H78NO8P
inchikey: SKWDCOTXHWCSGS-UHFFFAOYSA-N
norman_susdat_id: NS00045479
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C39H78NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3)4)48-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3,(H,43,44)


name: Squalamine
cas: 148717-90-2
chebiid: CHEBI:80765
dtxsid: DTXSID40869971
formula: C34H65N3O5S
inchikey: UIRKNQLZZXALBI-MSVGPLKSSA-N
norman_susdat_id: NS00071902
pubchem_cid: 72495
inchi:
InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

smiles:
CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O


name: PD 123244-15
cas: 148750-02-1
dtxsid: DTXSID00164095
formula: C20H23Br2FNNaO4
inchikey: DRUMMLUABVCROD-CTHHTMFSSA-M
norman_susdat_id: NS00075353
smiles: [Na+].CC(C)C1=C(Br)C(Br)=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1
inchi:
InChI=1S/C20H24Br2FNO4.Na/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-14(25)9-15(26)10-16(27)28;/h3-6,11,14-15,25-26H,7-10H2,1-2H3,(H,27,28);/q;+1/p-1/t14-,15-;/m1./s1


name: Bis(3-(perfluoroethyl)-1-(9-bromononyl)propyl) thioether
cas: 148757-89-5
chemspiderid: 14174430
dtxsid: DTXSID40692928
formula: C28H46Br2F10S1
inchikey: WQHQFCSCTUPZTN-UHFFFAOYSA-N
norman_susdat_id: NS00018778
pubchem_cid: 53249315
smiles: FC(F)(F)C(F)(F)CCC(CCCCCCCCCBr)SC(CCCCCCCCCBr)CCC(F)(F)C(F)(F)F
inchi:
InChI=1S/C28H46Br2F10S/c29-21-13-9-5-1-3-7-11-15-23(17-19-25(31,32)27(35,36)37)41-24(18-20-26(33,34)28(38,39)40)16-12-8-4-2-6-10-14-22-30/h23-24H,1-22H2


name: 2-(4-amino-N-ethyl-m-toluidino)ethanol nitrate
cas: 14876-25-6
formula: C11H18N2O.xHNO3
inchikey: XJHFXNXVOUMVLF-UHFFFAOYSA-N
norman_susdat_id: NS00085611
smiles: CCN(CCO)c1ccc(N)c(C)c1.O[N+](=O)[O-]
inchi:
InChI=1/C11H18N2O.HNO3/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;2-1(3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H,2,3,4)


name: Rutamarin
cas: 14882-94-1
formula: C21H24O5
inchikey: AWMHMGFGCLBSAY-UHFFFAOYSA-N
norman_susdat_id: NS00101187
smiles: CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C
inchi:
InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3


name: Vetrabutine hydrochloride
cas: 1488-24-6
formula: C20H27NO2.ClH
inchikey: SRKJRPFCSZFVAE-UHFFFAOYSA-N
norman_susdat_id: NS00082141
smiles: Cl.COc1ccc(cc1OC)C(CCCc2ccccc2)N(C)C
inchi:
InChI=1/C20H27NO2.ClH/c1-21(2)18(12-8-11-16-9-6-5-7-10-16)17-13-14-19(22-3)20(15-17)23-4;/h5-7,9-10,13-15,18H,8,11-12H2,1-4H3;1H


