# cl_id

cas: 5529-89-5
dtxsid: DTXSID20203793
formula: C30H31N2O4S2
inchikey: AXRIZLCXXQKAOQ-UHFFFAOYSA-N
norman_susdat_id: NS00043723
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC(=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)CC
name:
3-ethyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium

inchi:
InChI=1/C30H30N2O4S2/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-28(25)37-30)19-29-31(4-2)26-21-24(15-16-27(26)36-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3


name: Benzenamine, 4,4'-(1,2-ethanediyl)bis[N-[(4-methoxyphenyl)methylene]-
cas: 55290-05-6
chemspiderid: 97393
dtxsid: DTXSID8069010
formula: C30H28N2O2
inchikey: FOSOJOKQJFZOKV-UHFFFAOYSA-N
norman_susdat_id: NS00033282
pubchem_cid: 108329
smiles: COc1ccc(C=Nc2ccc(CCc3ccc(cc3)N=Cc3ccc(OC)cc3)cc2)cc1
inchi:
InChI=1S/C30H28N2O2/c1-33-29-17-9-25(10-18-29)21-31-27-13-5-23(6-14-27)3-4-24-7-15-28(16-8-24)32-22-26-11-19-30(34-2)20-12-26/h5-22H,3-4H2,1-2H3/b31-21+,32-22+


cas: 55290-62-5
chemspiderid: 57463784
dtxsid: DTXSID90886133
formula: C25H35N5O4S1
inchikey: NBBLNWNGAXCQEN-UHFFFAOYSA-N
norman_susdat_id: NS00005111
pubchem_cid: 5485231
smiles: CCCCC(CC)CNS(=O)(=O)c1ccc(NN=C2C(C)=C(C#N)C(=O)N(CCCC)C2=O)cc1
name:
Benzenesulfonamide, 4-[2-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-N-(2-ethylhexyl)-

inchi:
InChI=1S/C25H35N5O4S/c1-5-8-10-19(7-3)17-27-35(33,34)21-13-11-20(12-14-21)28-29-23-18(4)22(16-26)24(31)30(25(23)32)15-9-6-2/h11-14,19,27-28H,5-10,15,17H2,1-4H3


name: Propanenitrile, 3-[[4-[(5-nitro-2-thiazolyl)azo]phenyl](3-phenylpropyl)amino]-
cas: 55296-90-7
chemspiderid: 149868
dtxsid: DTXSID3069011
formula: C21H20N6O2S1
inchikey: FOQLIEMCOIMRME-UHFFFAOYSA-N
norman_susdat_id: NS00033283
pubchem_cid: 171430
smiles: [O-][N+](=O)c1cnc(s1)N=Nc1ccc(cc1)N(CCCc1ccccc1)CCC#N
inchi:
InChI=1S/C21H20N6O2S/c22-13-5-15-26(14-4-8-17-6-2-1-3-7-17)19-11-9-18(10-12-19)24-25-21-23-16-20(30-21)27(28)29/h1-3,6-7,9-12,16H,4-5,8,14-15H2/b25-24-


name: 3-(Phenyl(3-phenylpropyl)amino)propiononitrile
cas: 55296-92-9
chemspiderid: 2284795
dtxsid: DTXSID10203808
formula: C18H20N2
inchikey: QGUBGDBSEFJAQN-UHFFFAOYSA-N
norman_susdat_id: NS00033284
pubchem_cid: 3016951
smiles: N#CCCN(CCCc1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H20N2/c19-14-8-16-20(18-12-5-2-6-13-18)15-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,15-16H2


name: N-(3-(Ethyl(3-phenylpropyl)amino)phenyl)acetamide
cas: 55296-94-1
chemspiderid: 2284796
dtxsid: DTXSID70203809
formula: C19H24N2O1
inchikey: AORCSBVDYMRZOW-UHFFFAOYSA-N
norman_susdat_id: NS00033285
pubchem_cid: 3016952
smiles: CCN(CCCc1ccccc1)c1cccc(NC(=O)C)c1
inchi:
InChI=1S/C19H24N2O/c1-3-21(14-8-11-17-9-5-4-6-10-17)19-13-7-12-18(15-19)20-16(2)22/h4-7,9-10,12-13,15H,3,8,11,14H2,1-2H3,(H,20,22)


name: N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
cas: 55296-95-2
formula: C26H27N7O5
inchikey: CYYCCUUGSBQUBI-UHFFFAOYSA-N
norman_susdat_id: NS00057461
pubchem_cid: 3016953
smiles: N#CC=1C=C(C=C(C1N=NC2=CC=C(C=C2NC(=O)C)N(CC)CCCC=3C=CC=CC3)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C26H25N7O5/c1-3-31(13-7-10-19-8-5-4-6-9-19)21-11-12-23(24(15-21)28-18(2)34)29-30-26-20(17-27)14-22(32(35)36)16-25(26)33(37)38/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,28,34)


name: Tiamulin
cas: 55297-95-5
chebiid: CHEBI:44137
chemspiderid: 571196
dtxsid: DTXSID2046701
formula: C28H47N1O4S1
inchikey: UURAUHCOJAIIRQ-QGLSALSOSA-N
norman_susdat_id: NS00000009
pubchem_cid: 656958
smiles: CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CC[C@H]([C@@]1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C
inchi:
InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1


name: Neomycin palmitate
cas: 55298-68-5
dtxsid: DTXSID80203810
formula: C39H78N6O15
inchikey: RZXTUCFALKTJJO-WQDIDPJDSA-N
norman_susdat_id: NS00076415
inchi:
InChI=1S/C23H46N6O13.C16H32O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-23,30-36H,1-4,24-29H2;2-15H2,1H3,(H,17,18)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1

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


name: N-(1,2-diphenylethyl)nicotinamide
cas: 553-06-0
chebiid: CHEBI:81301
formula: C20H18N2O
inchikey: DWODOIKZDGJOPQ-UHFFFAOYSA-N
norman_susdat_id: NS00042975
pubchem_cid: 3033975
smiles: O=C(NC(C=1C=CC=CC1)CC=2C=CC=CC2)C=3C=NC=CC3
inchi:
InChI=1/C20H18N2O/c23-20(18-12-7-13-21-15-18)22-19(17-10-5-2-6-11-17)14-16-8-3-1-4-9-16/h1-13,15,19H,14H2,(H,22,23)


name: Tonzonium bromide
cas: 553-08-2
dtxsid: DTXSID1045326
formula: C32H55N4O
inchikey: WBWDWFZTSDZAIG-UHFFFAOYSA-M
norman_susdat_id: NS00044022
pubchem_cid: 11102
smiles: [Br-].N=1C=CC=NC1N(CC2=CC=C(OC)C=C2)CC[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1


name: Protoporphyrin
cas: 553-12-8
chemspiderid: 10469486
dtxsid: DTXSID4048353
formula: C34H34N4O4
inchikey: ZCFFYALKHPIRKJ-UJJXFSCMSA-N
norman_susdat_id: NS00015159
pubchem_cid: NA
smiles: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C
inchi:
InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-


name: (+)-Costunolide
cas: 553-21-9
chebiid: CHEBI:3900
chemspiderid: 4444782
formula: C15H20O2
inchikey: HRYLQFBHBWLLLL-AHNJNIBGSA-N
norman_susdat_id: NS00066990
pubchem_cid: 5281437
smiles: C/C/1=CCC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C
inchi:
InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1


name: Proflavine sulphate
cas: 553-30-0
formula: C13H11N3.H2O4S
inchikey: WSFHCKWLECYVBS-UHFFFAOYSA-N
norman_susdat_id: NS00080725
smiles: Nc1ccc2cc3ccc(N)cc3nc2c1.OS(=O)(=O)O
inchi:
InChI=1/C13H11N3.H2O4S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h1-7H,14-15H2;(H2,1,2,3,4)


name: 4-(Diphenylmethyl)piperazinyl 2-thienyl ketone
cas: 5530-76-7
dtxsid: DTXSID60360773
formula: C22H22N2OS
inchikey: LXQAURWRRYXFJT-UHFFFAOYSA-N
norman_susdat_id: NS00096499
smiles: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4
inchi:
InChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2


name: Antrafenine
cas: 55300-30-6
chebiid: CHEBI:135841
chemspiderid: 61973
dtxsid: DTXSID60203833
formula: C30H26F6N4O2
inchikey: NWGGKKGAFZIVBJ-UHFFFAOYSA-N
norman_susdat_id: NS00005214
pubchem_cid: 68723
smiles: FC(F)(F)c1cccc(c1)N1CCN(CCOC(=O)c2ccccc2Nc2ccnc3cc(ccc23)C(F)(F)F)CC1
inchi:
InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)


name: Avarol
cas: 55303-98-5
chemspiderid: 65156
dtxsid: DTXSID80203850
formula: C21H30O2
inchikey: JSPUCPNQXKTYRO-LWILDLIXSA-N
norman_susdat_id: NS00033287
pubchem_cid: 72185
smiles: C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1c(O)ccc(O)c1
inchi:
InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1


name: ß-D-glucopyranosyl (2a,3ß,4ß,19a)-2,3,19,23-tetrahydroxyolean-12-en-28-oate
cas: 55306-04-2
formula: C36H58O11
inchikey: CMZFNIMQBCBHEX-APNSOIJXSA-N
norman_susdat_id: NS00057484
pubchem_cid: 14658050
smiles: O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)C(O)C3C4=CCC5C6(C)CC(O)C(O)C(C)(CO)C6CCC5(C)C4(C)CC2
inchi:
InChI=1/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3


name: Gniditrin
cas: 55306-10-0
chebiid: CHEBI:5515
chemspiderid: 5281368
formula: C37H42O10
inchikey: NEIGQRKMHFDLTK-YUPNYMRISA-N
norman_susdat_id: NS00093853
pubchem_cid: 4444729
smiles:
CCC/C=C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@]23[C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]2[C@@H]6[C@]1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C


name: Octadecanoic acid, phenylmethyl ester
cas: 5531-65-7
chemspiderid: 71960
dtxsid: DTXSID0063945
formula: C25H42O2
inchikey: BPSLVNCMKDXZPC-UHFFFAOYSA-N
norman_susdat_id: NS00033289
pubchem_cid: 79659
smiles: CCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(26)27-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3


name: Sodium dibenzyldithiocarbamate
cas: 55310-46-8
formula: C15H15NS2.Na
inchikey: MYCPTMLDBVIIES-UHFFFAOYSA-M
norman_susdat_id: NS00088885
smiles: [Na+].[S-]C(=S)N(Cc1ccccc1)Cc2ccccc2
inchi:
InChI=1/C15H15NS2.Na/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,17,18);/q;+1/p-1


name: Prostaglandin F2α 1,9-lactone
cas: 55314-48-2
chemspiderid: 24822067
formula: C20H32O4
inchikey: ZVWMOTMHZYWJPF-WTKFZEAQSA-N
norman_susdat_id: NS00017061
pubchem_cid: 42607298
smiles: CCCCCC(C=CC1C2CC=CCCCC(=O)OC2CC1O)O
inchi:
InChI=1S/C20H32O4/c1-2-3-6-9-15(21)12-13-16-17-10-7-4-5-8-11-20(23)24-19(17)14-18(16)22/h4,7,12-13,15-19,21-22H,2-3,5-6,8-11,14H2,1H3/b7-4-,13-12+/t15-,16+,17+,18+,19-/m0/s1


name: Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-a-methyl-DL-tyrosinate hydrochloride
cas: 55327-22-5
dtxsid: DTXSID90970662
formula: C18H17I4NO4
inchikey: YKFOTONIBHUPOM-GMUIIQOCSA-N
norman_susdat_id: NS00058351
pubchem_cid: 21155973
smiles: Cl.O=C(OCC)C(N)(C)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1
inchi:
InChI=1/C18H17I4NO4.ClH/c1-3-26-17(25)18(2,23)8-9-4-13(21)16(14(22)5-9)27-10-6-11(19)15(24)12(20)7-10;/h4-7,24H,3,8,23H2,1-2H3;1H


cas: 55329-37-8
formula: C21H17N3O8S2.2Na
inchikey: DLCOGSDEATYYSN-UHFFFAOYSA-L
norman_susdat_id: NS00088886
smiles: [Na+].[Na+].Cc1c(N)cc(cc1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Disodium 1-amino-4-[(3-amino-2-methyl-5-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C21H17N3O8S2.2Na/c1-9-13(22)6-10(33(27,28)29)7-14(9)24-15-8-16(34(30,31)32)19(23)18-17(15)20(25)11-4-2-3-5-12(11)21(18)26;;/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 55329-60-7
dtxsid: DTXSID20203894
formula: C16H14ClN3O9S3
inchikey: OGDLMMQJBPESNI-UHFFFAOYSA-L
norman_susdat_id: NS00057357
pubchem_cid: 11970519
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C=2C(C1)=CC(=CC2NC=3N=C(N=C(C3Cl)C)S(=O)(=O)C)S(=O)(=O)[O-]
name:
Disodium 4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C16H14ClN3O9S3.2Na/c1-7-14(17)15(20-16(18-7)30(2,22)23)19-11-5-9(31(24,25)26)3-8-4-10(32(27,28)29)6-12(21)13(8)11;;/h3-6,21H,1-2H3,(H,18,19,20)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Methyl [4-(methoxycarbonyl)phenyl]methyl terephthalate
cas: 55334-51-5
chemspiderid: 97737
dtxsid: DTXSID3069013
formula: C18H16O6
inchikey: ITTJRGPCQAAFGL-UHFFFAOYSA-N
norman_susdat_id: NS00033293
pubchem_cid: 108695
smiles: COC(=O)c1ccc(COC(=O)c2ccc(cc2)C(=O)OC)cc1
inchi:
InChI=1S/C18H16O6/c1-22-16(19)13-5-3-12(4-6-13)11-24-18(21)15-9-7-14(8-10-15)17(20)23-2/h3-10H,11H2,1-2H3


name: Betamethasone acibutate
cas: 5534-05-4
chebiid: CHEBI:50894
dtxsid: DTXSID3022669
formula: C28H37FO7
inchikey: KGNVBESWWSSQAN-QEVRMTOFSA-N
norman_susdat_id: NS00043714
pubchem_cid: 111080
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)C(C)C)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H37FO7/c1-15(2)24(34)36-28(23(33)14-35-17(4)30)16(3)11-21-20-8-7-18-12-19(31)9-10-25(18,5)27(20,29)22(32)13-26(21,28)6/h9-10,12,15-16,20-22,32H,7-8,11,13-14H2,1-6H3


name: Beclazone
cas: 5534-09-8
chebiid: CHEBI:3002
chemspiderid: 20396
dtxsid: DTXSID3048730
formula: C28H37Cl1O7
inchikey: KUVIULQEHSCUHY-XYWKZLDCSA-N
norman_susdat_id: NS00000089
pubchem_cid: 21700
inchi:
InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

smiles:
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC


name: 9-fluoro-11Î²,17,21-trihydroxy-16Î²-methylpregna-1,4-diene-3,20-dione 17-propionate
cas: 5534-13-4
chemspiderid: 83960
formula: C25H33F1O6
inchikey: ITYMTTQVNYAJAA-XGQKBEPLSA-N
norman_susdat_id: NS00002268
pubchem_cid: 93007
smiles: CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
inchi:
InChI=1S/C25H33FO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1


name: Beclomethasone 17-monopropionate
cas: 5534-18-9
chemspiderid: 56676
dtxsid: DTXSID20203899
formula: C25H33Cl1O6
inchikey: OHYGPBKGZGRQKT-UHFFFAOYSA-N
norman_susdat_id: NS00002248
pubchem_cid: NA
smiles: CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC12C)C(=O)CO
inchi:
InChI=1S/C25H33ClO6/c1-5-21(31)32-25(20(30)13-27)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,26)19(29)12-23(18,25)4/h8-9,11,14,17-19,27,29H,5-7,10,12-13H2,1-4H3


name: Pentagastrin
cas: 5534-95-2
chebiid: CHEBI:31974
dtxsid: DTXSID3048992
formula: C37H49N7O9S
inchikey: NEYNJQRKHLUJRU-DZUOILHNSA-N
norman_susdat_id: NS00043181
pubchem_cid: 9853654
inchi:
InChI=1/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)

smiles:
O=C(OC(C)(C)C)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC=1C=CC=CC1)CC(=O)O)CCSC)CC2=CNC=3C=CC=CC32


cas: 55343-76-5
dtxsid: DTXSID70203900
formula: C25H20O9
inchikey: BLTURWBZQABFRH-UHFFFAOYSA-N
norman_susdat_id: NS00058352
pubchem_cid: 263071
name:
Triammonium 5-[(3-carboxylato-4-hydroxy-5-methylphenyl)(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-2-hydroxy-3-methylbenzoate

inchi:
InChI=1/C25H20O9.3H3N/c1-10-4-13(7-16(20(10)26)23(29)30)19(14-5-11(2)21(27)17(8-14)24(31)32)15-6-12(3)22(28)18(9-15)25(33)34;;;/h4-9,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34);3*1H3

smiles:
O=C([O-])C1=CC(C=C(C1=O)C)=C(C=2C=C(C(=O)[O-])C(O)=C(C2)C)C=3C=C(C(=O)[O-])C(O)=C(C3)C.[NH4+].[NH4+].[NH4+]


name: 9,10-Anthracenedione, 1,5-bis[(4-phenoxyphenyl)amino]-
cas: 55345-44-3
chemspiderid: 97740
dtxsid: DTXSID8069014
formula: C38H26N2O4
inchikey: QFYZUUMEXXFCKY-UHFFFAOYSA-N
norman_susdat_id: NS00033294
pubchem_cid: 108698
smiles: O=C1c2cccc(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)c2c1c(Nc1ccc(Oc3ccccc3)cc1)ccc2
inchi:
InChI=1S/C38H26N2O4/c41-37-32-14-8-16-34(40-26-19-23-30(24-20-26)44-28-11-5-2-6-12-28)36(32)38(42)31-13-7-15-33(35(31)37)39-25-17-21-29(22-18-25)43-27-9-3-1-4-10-27/h1-24,39-40H


name: N,N'-Hexane-1,6-diylbis(12-hydroxyoctadecanamide)
cas: 55349-01-4
chemspiderid: 97394
dtxsid: DTXSID9052214
formula: C42H84N2O4
inchikey: CXPIOTOKMJNFSA-UHFFFAOYNA-N
norman_susdat_id: NS00019612
pubchem_cid: NA
smiles: CCCCCCC(O)CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1S/C42H84N2O4/c1-3-5-7-23-31-39(45)33-25-17-13-9-11-15-19-27-35-41(47)43-37-29-21-22-30-38-44-42(48)36-28-20-16-12-10-14-18-26-34-40(46)32-24-8-6-4-2/h39-40,45-46H,3-38H2,1-2H3,(H,43,47)(H,44,48)/t39-,40+


name: Octadecanoic acid, 2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]ethyl ester
cas: 55349-70-7
chemspiderid: 97741
dtxsid: DTXSID3069015
formula: C40H79N1O4
inchikey: ZRWKXALQNLDUSY-UHFFFAOYSA-N
norman_susdat_id: NS00033297
pubchem_cid: 108699
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H79NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)41(35-37-42)36-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-38H2,1-2H3


name: Adenine 9-beta-D-arabinofuranoside
cas: 5536-17-4
chebiid: CHEBI:93913
chemspiderid: 21111796
dtxsid: DTXSID80873976
formula: C10H13N5O4
inchikey: OIRDTQYFTABQOQ-UHFFFAOYSA-N
norman_susdat_id: NS00010570
pubchem_cid: 191
smiles: C1=NC3=C([N]1C2OC(CO)C(C2O)O)N=CN=C3N
inchi:
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)


name: 5-Amino-2'-deoxyuridine
cas: 5536-30-1
chemspiderid: 99715
dtxsid: DTXSID10203909
formula: C9H13N3O5
inchikey: OZMVAFPILSPXRM-RRKCRQDMSA-N
norman_susdat_id: NS00033303
pubchem_cid: 111081
smiles: Nc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
inchi:
InChI=1S/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1


name: Methyl pentacosanoate
cas: 55373-89-2
chebiid: CHEBI:151104
chemspiderid: 37804
dtxsid: DTXSID90203922
formula: C26H52O2
inchikey: WOPKHAQDUMDJIY-UHFFFAOYSA-N
norman_susdat_id: NS00033306
pubchem_cid: 41431
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C26H52O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28-2/h3-25H2,1-2H3


name: Acetamide, N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]-
cas: 55379-84-5
chemspiderid: 94501
dtxsid: DTXSID8069018
formula: C13H17N3O2
inchikey: ITCQFSOCCFSHHU-UHFFFAOYSA-N
norman_susdat_id: NS00033308
pubchem_cid: 108703
smiles: CC(=O)Nc1cccc(c1)N(CCO)CCC#N
inchi:
InChI=1S/C13H17N3O2/c1-11(18)15-12-4-2-5-13(10-12)16(8-9-17)7-3-6-14/h2,4-5,10,17H,3,7-9H2,1H3,(H,15,18)


name: 4-Allyl-1,2-diphenyl-3,5-pyrazolidinedione
cas: 5538-53-4
dtxsid: DTXSID20191045
formula: C18H16N2O2
inchikey: FCNPWXFVAPWQQO-UHFFFAOYSA-N
norman_susdat_id: NS00096941
smiles: C=CCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
inchi:
InChI=1S/C18H16N2O2/c1-2-9-16-17(21)19(14-10-5-3-6-11-14)20(18(16)22)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2


name: 2-Naphthalenecarboxamide, 3-hydroxy-7-methoxy-N-(2-methylphenyl)-
cas: 5538-57-8
chemspiderid: 71969
dtxsid: DTXSID0063947
formula: C19H17N1O3
inchikey: ISYIACJPZHHKAB-UHFFFAOYSA-N
norman_susdat_id: NS00021211
pubchem_cid: 79669
smiles: COc1ccc2cc(O)c(cc2c1)C(=O)Nc1c(C)cccc1
inchi:
InChI=1S/C19H17NO3/c1-12-5-3-4-6-17(12)20-19(22)16-10-14-9-15(23-2)8-7-13(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)


name: 4,4'-methylenebis[3-methoxy-2-naphthoic] acid
cas: 55388-44-8
dtxsid: DTXSID60970730
formula: C25H20O6
inchikey: VGNGFRZTSUWCLT-UHFFFAOYSA-N
norman_susdat_id: NS00057044
pubchem_cid: 108704
smiles: O=C(O)C1=CC=2C=CC=CC2C(=C1OC)CC3=C(OC)C(=CC=4C=CC=CC43)C(=O)O
inchi:
InChI=1/C25H20O6/c1-30-22-18(16-9-5-3-7-14(16)11-20(22)24(26)27)13-19-17-10-6-4-8-15(17)12-21(25(28)29)23(19)31-2/h3-12H,13H2,1-2H3,(H,26,27)(H,28,29)


name: Glucosulfone
cas: 554-18-7
dtxsid: DTXSID10873666
formula: C24H36N2O18S3
inchikey: SQQCWHCJRWYRLB-UHFFFAOYSA-N
norman_susdat_id: NS00042992
pubchem_cid: 3481
smiles: O=S(=O)(O)C(NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(C(O)C(O)C(O)C(O)CO)S(=O)(=O)O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C24H36N2O18S3/c27-9-15(29)17(31)19(33)21(35)23(46(39,40)41)25-11-1-5-13(6-2-11)45(37,38)14-7-3-12(4-8-14)26-24(47(42,43)44)22(36)20(34)18(32)16(30)10-28/h1-8,15-36H,9-10H2,(H,39,40,41)(H,42,43,44)


name: Linamarin
cas: 554-35-8
chebiid: CHEBI:16441
chemspiderid: 10657
dtxsid: DTXSID8052857
formula: C10H17NO6
inchikey: QLTCHMYAEJEXBT-ZEBDFXRSSA-N
norman_susdat_id: NS00094824
pubchem_cid: 11128
smiles: CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N
inchi:
InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1


name: Phytosphingosine
cas: 554-62-1
chebiid: CHEBI:46961
chemspiderid: 108921
dtxsid: DTXSID80203951
formula: C18H39N1O3
inchikey: AERBNCYCJBRYDG-KSZLIROESA-N
norman_susdat_id: NS00009822
pubchem_cid: 122121
smiles: CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO
inchi:
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1


name: Tryparsamide
cas: 554-72-3
formula: C8H11AsN2O4.Na
inchikey: UEYIAABRKWHXJV-UHFFFAOYSA-M
norman_susdat_id: NS00080408
smiles: [Na+].NC(=O)CNc1ccc(cc1)[As](=O)(O)[O-]
inchi:
InChI=1/C8H11AsN2O4.Na/c10-8(12)5-11-7-3-1-6(2-4-7)9(13,14)15;/h1-4,11H,5H2,(H2,10,12)(H2,13,14,15);/q;+1/p-1


name: Sodium 4-[[4-(anilino)phenyl]azo]benzenesulphonate
cas: 554-73-4
formula: C18H15N3O3S.Na
inchikey: MLVYOYVMOZFHIU-UHFFFAOYSA-M
norman_susdat_id: NS00080409
smiles: [Na+].[O-]S(=O)(=O)c3ccc(N=Nc2ccc(Nc1ccccc1)cc2)cc3
inchi:
InChI=1/C18H15N3O3S.Na/c22-25(23,24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1


name: Trimethobenzamide hydrochloride
cas: 554-92-7
formula: C21H28N2O5.ClH
inchikey: WIIZEEPFHXAUND-UHFFFAOYSA-N
norman_susdat_id: NS00080136
smiles: Cl.COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2
inchi:
InChI=1/C21H28N2O5.ClH/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4;/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24);1H


name: 9-octadecenoic acid (z)-, 2,3-bis(acetyloxy)propyl ester
cas: 55401-64-4
dtxsid: DTXSID80880887
formula: C25H44O6
inchikey: KXLSJQTXSAYFDL-QXMHVHEDSA-N
norman_susdat_id: NS00095996
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O
inchi:
InChI=1/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3/b12-11-


name: 1,7-Dicyclopentyl-4-(2'-cyclohexylethyl)heptane
cas: 55401-72-4
dtxsid: DTXSID40303961
formula: C25H46
inchikey: NSXDZWDBOGDTOY-UHFFFAOYSA-N
norman_susdat_id: NS00096020
smiles: C(CC(CCCC1CCCC1)CCC1CCCCC1)CC1CCCC1
inchi:
InChI=1S/C25H46/c1-2-10-24(11-3-1)20-21-25(18-8-16-22-12-4-5-13-22)19-9-17-23-14-6-7-15-23/h22-25H,1-21H2


name: Anthracene, 9-dodecyltetradecahydro-
cas: 55401-75-7
dtxsid: DTXSID70303959
formula: C26H48
inchikey: QQGXTQQJKOBQFA-UHFFFAOYSA-N
norman_susdat_id: NS00096127
smiles: CCCCCCCCCCCCC1C2CCCCC2CC2CCCCC12
inchi:
InChI=1S/C26H48/c1-2-3-4-5-6-7-8-9-10-11-20-26-24-18-14-12-16-22(24)21-23-17-13-15-19-25(23)26/h22-26H,2-21H2,1H3


cas: 55425-23-5
dtxsid: DTXSID80970772
formula: C21H21Cl2N2O6S4
inchikey: LQSDBGYMCOPHTL-UHFFFAOYSA-N
norman_susdat_id: NS00057047
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCN1C(SC2=CC=C(Cl)C=C21)=CC=3SC=4C=CC(Cl)=CC4[N+]3CCCS(=O)(=O)[O-].N(CC)(CC)CC
name:
Hydrogen 5-chloro-2-[[5-chloro-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C21H20Cl2N2O6S4.C6H15N.H2/c22-14-3-5-18-16(11-14)24(7-1-9-34(26,27)28)20(32-18)13-21-25(8-2-10-35(29,30)31)17-12-15(23)4-6-19(17)33-21;1-4-7(5-2)6-3;/h3-6,11-13H,1-2,7-10H2,(H-,26,27,28,29,30,31);4-6H2,1-3H3;1H/q;;+1/p-1


name: 2-phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole
cas: 55425-38-2
dtxsid: DTXSID2069020
formula: C16H12N6
inchikey: XSGLLCJEBDKHPO-UHFFFAOYSA-N
norman_susdat_id: NS00057423
pubchem_cid: 108709
smiles: N=1N=C(N=NC=2C=3C=CC=CC3NC2C=4C=CC=CC4)NC1
inchi:
InChI=1/C16H12N6/c1-2-6-11(7-3-1)14-15(20-22-16-17-10-18-21-16)12-8-4-5-9-13(12)19-14/h1-10,19H,(H,17,18,21)


name: Warfarin
cas: 5543-57-7
chebiid: CHEBI:87732
chemspiderid: 10442445
dtxsid: DTXSID5023742
formula: C19H16O4
inchikey: PJVWKTKQMONHTI-UHFFFAOYSA-N
norman_susdat_id: NS00010884
pubchem_cid: 54678486
smiles: CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
inchi:
InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3


name: Dihydrogen [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']manganate(2-)
cas: 55448-20-9
formula: C10H12MnN2O8.2H
inchikey: RLNASBHWIXYGAC-UHFFFAOYSA-L
norman_susdat_id: NS00088910
smiles: OC(=O)CN(CCN1CC(=O)O[Mn]OC(=O)C1)CC(=O)O
inchi:
InChI=1/C10H16N2O8.Mn/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/p-2


name: N,N'-diacetyl-L-cystine
cas: 5545-17-5
dtxsid: DTXSID20970791
formula: C10H16N2O6S2
inchikey: YTPQSLLEROSACP-YUMQZZPRSA-N
norman_susdat_id: NS00043182
pubchem_cid: 6995101
smiles: O=C(O)C(NC(=O)C)CSSCC(NC(=O)C)C(=O)O
inchi:
InChI=1/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)


name: 4-tert-Butyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
cas: 5545-52-8
chemspiderid: 93784
dtxsid: DTXSID90204015
formula: C16H21N1O6
inchikey: HLSLRFBLVZUVIE-LBPRGKRZSA-N
norman_susdat_id: NS00033322
pubchem_cid: 111082
smiles: CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C16H21NO6/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1


name: Chimonanthine
cas: 5545-89-1
chebiid: CHEBI:87
chemspiderid: 2341049
dtxsid: DTXSID50204016
formula: C22H26N4
inchikey: HOYXPMHLHJOGHD-FNAHDJPLSA-N
norman_susdat_id: NS00094720
pubchem_cid: 3083909
smiles: CN1CC[C@@]2([C@H]1NC1=CC=CC=C21)[C@@]12CCN(C)[C@@H]1NC1=CC=CC=C21
inchi:
InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m0/s1


name: Isoxepac
cas: 55453-87-7
chebiid: CHEBI:135102
chemspiderid: 37817
dtxsid: DTXSID8057772
formula: C16H12O4
inchikey: QFGMXJOBTNZHEL-UHFFFAOYSA-N
norman_susdat_id: NS00033320
pubchem_cid: 41448
smiles: OC(=O)Cc1cc2c(OCc3c(cccc3)C2=O)cc1
inchi:
InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)


name: N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)benzamide
cas: 55455-18-0
chemspiderid: 2284802
dtxsid: DTXSID70204018
formula: C13H14N4O3
inchikey: WYBRZOBLOVHIOF-UHFFFAOYSA-N
norman_susdat_id: NS00033321
pubchem_cid: 3016967
smiles: Cc1ncc(n1CCNC(=O)c1ccccc1)[N+](=O)[O-]
inchi:
InChI=1S/C13H14N4O3/c1-10-15-9-12(17(19)20)16(10)8-7-14-13(18)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,14,18)


name: 4-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1-methylpyridinium methyl sulphate
cas: 55470-53-6
dtxsid: DTXSID80970813
formula: C19H21N2O2
inchikey: XUHCZKYTEGBYIW-UHFFFAOYSA-M
norman_susdat_id: NS00058416
pubchem_cid: 6453185
smiles: O=C1OC2=CC(=CC=C2C=C1C=3C=C[N+](=CC3)C)N(CC)CC.O=S(=O)([O-])OC
inchi:
InChI=1/C19H21N2O2.CH4O4S/c1-4-21(5-2)16-7-6-15-12-17(19(22)23-18(15)13-16)14-8-10-20(3)11-9-14;1-5-6(2,3)4/h6-13H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]quinolinium toluene-p-sulphonate
cas: 55479-14-6
formula: C20H19N2S.C7H7O3S
inchikey: PHQCMRONRWXIRN-UHFFFAOYSA-M
norman_susdat_id: NS00088911
smiles: [O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]3c4ccccc4ccc3C=C2Sc1ccccc1N2C
inchi:
InChI=1/C20H19N2S.C7H8O3S/c1-3-22-16(13-12-15-8-4-5-9-17(15)22)14-20-21(2)18-10-6-7-11-19(18)23-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Barium 8-hydroxy-5,7-dinitronaphthalene-2-sulphonate (1:1)
cas: 55482-31-0
formula: C10H6N2O8S.Ba
inchikey: QGJLXHHZKSHCOW-UHFFFAOYSA-M
norman_susdat_id: NS00088674
smiles: [Ba].Oc1c(cc(c2ccc(cc12)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C10H6N2O8S.Ba/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h1-4,13H,(H,18,19,20);/q;+2/p-1


name: Calcium strontium bis[3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate]
cas: 55491-44-6
formula: C18H14N2O6S.1/2Ca.1/2Sr
inchikey: DMCIOJSMBNVCHJ-UHFFFAOYSA-J
norman_susdat_id: NS00088394
inchi:
InChI=1/2C18H14N2O6S.Ca.Sr/c2*1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2*2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;;2*+2/p-4

smiles:
[Ca+2].[Sr+2].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O.[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O


name: Acetamide, N-(4-(((2,6-dimethoxy-4-pyrimidinyl)amino)sulfonyl)phenyl)-
cas: 555-25-9
chemspiderid: 415695
dtxsid: DTXSID10204077
formula: C14H16N4O5S1
inchikey: WIYOSEJTAADVPJ-UHFFFAOYSA-N
norman_susdat_id: NS00033336
pubchem_cid: 473359
smiles: COc1nc(OC)nc(NS(=O)(=O)c2ccc(NC(=O)C)cc2)c1
inchi:
InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-12-8-13(22-2)17-14(16-12)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)


name: 2,2,6-trimethylpiperidin-4-yl benzoate hydrochloride
cas: 555-28-2
dtxsid: DTXSID30970843
formula: C15H21NO2
inchikey: VGVCYHBQSIQXMO-UHFFFAOYSA-N
norman_susdat_id: NS00043580
pubchem_cid: 10373
smiles: Cl.O=C(OC1CC(NC(C)(C)C1)C)C=2C=CC=CC2
inchi:
InChI=1/C15H21NO2.ClH/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12;/h4-8,11,13,16H,9-10H2,1-3H3;1H


name: Methyldopa
cas: 555-30-6
chebiid: CHEBI:61058
chemspiderid: 35562
dtxsid: DTXSID5023295
formula: C10H13N1O4
inchikey: CJCSPKMFHVPWAR-JTQLQIEISA-N
norman_susdat_id: NS00007484
pubchem_cid: 38853
smiles: C[C@](N)(Cc1ccc(O)c(O)c1)C(O)=O
inchi:
InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)/t10-/m0/s1


name: Aluminium tripalmitate
cas: 555-35-1
formula: C16H32O2.1/3Al
inchikey: PZWDHVKNXVLHOV-UHFFFAOYSA-K
norman_susdat_id: NS00080773
smiles: [Al+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C16H32O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3


name: Iron tristearate
cas: 555-36-2
formula: C18H36O2.1/3Fe
inchikey: XHQSLVIGPHXVAK-UHFFFAOYSA-K
norman_susdat_id: NS00080774
smiles: [Fe+3].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
inchi:
InChI=1/3C18H36O2.Fe/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: Glyceryl tristearate
cas: 555-43-1
chebiid: CHEBI:45956
chemspiderid: 10673
dtxsid: DTXSID8047503
formula: C57H110O6
inchikey: DCXXMTOCNZCJGO-UHFFFAOYSA-N
norman_susdat_id: NS00010215
pubchem_cid: 11146
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C57H110O6/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/h54H,4-53H2,1-3H3


name: Tripalmitin
cas: 555-44-2
chebiid: CHEBI:77393
chemspiderid: 10674
dtxsid: DTXSID8046169
formula: C51H98O6
inchikey: PVNIQBQSYATKKL-UHFFFAOYSA-N
norman_susdat_id: NS00014187
pubchem_cid: 11147
smiles: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3


name: TRIMYRISTIN
cas: 555-45-3
chebiid: CHEBI:77391
chemspiderid: 10675
formula: C45H86O6
inchikey: DUXYWXYOBMKGIN-UHFFFAOYSA-N
norman_susdat_id: NS00014185
pubchem_cid: 11148
smiles: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3


name: Shogaol
cas: 555-66-8
chebiid: CHEBI:10138
formula: C17H24O3
inchikey: OQWKEEOHDMUXEO-BQYQJAHWSA-N
norman_susdat_id: NS00097161
smiles: CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
inchi:
InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+


name: Guanosine 5'-monophosphate disodium salt
cas: 5550-12-9
chebiid: CHEBI:74948
formula: C10H14N5O8P
inchikey: WTIFIAZWCCBCGE-UUOKFMHZSA-N
norman_susdat_id: NS00069963
smiles: Nc1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OP(=O)(O)O)c2n1
inchi:
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1


name: Clopenthixol decanoate
cas: 55501-05-8
dtxsid: DTXSID80897157
formula: C32H43ClN2O2S
inchikey: QRUAPADZILXULG-UVHMKAGCSA-N
norman_susdat_id: NS00075534
smiles: CCCCCCCCCC(=O)OCCN1CCN(CCC=C2/C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1
inchi:
InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13+


name: Pyridate
cas: 55512-33-9
chebiid: CHEBI:81971
chemspiderid: 37831
dtxsid: DTXSID2032639
formula: C19H23Cl1N2O2S1
inchikey: JTZCTMAVMHRNTR-UHFFFAOYSA-N
norman_susdat_id: NS00000573
pubchem_cid: 41463
smiles: O=C(SCCCCCCCC)Oc2cc(Cl)nnc2c1ccccc1
eea_notation: CAS_55512-33-9
inchi:
InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3


name: 3-methyl-2-(methylthio)benzothiazolium p-toluenesulphonate
cas: 55514-14-2
formula: C9H10NS2.C7H7O3S
inchikey: SGABZOJLSUJGFH-UHFFFAOYSA-M
norman_susdat_id: NS00088199
smiles: CSc1sc2ccccc2[n+]1C.Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 3,3'-(1,4-Phenylene)bis(5,6-diphenyl-1,2,4-triazine)
cas: 55514-22-2
chemspiderid: NA
formula: C36H24N6
inchikey: NZTWOIMQWMZIRE-UHFFFAOYSA-N
norman_susdat_id: NS00003490
pubchem_cid: 59516799
smiles: c1ccc(cc1)-c1nnc(nc1-c1ccccc1)-c1ccc(cc1)-c1nnc(-c2ccccc2)c(n1)-c1ccccc1
inchi:
InChI=1S/C36H24N6/c1-5-13-25(14-6-1)31-33(27-17-9-3-10-18-27)39-41-35(37-31)29-21-23-30(24-22-29)36-38-32(26-15-7-2-8-16-26)34(40-42-36)28-19-11-4-12-20-28/h1-24H


name: 6-Aminonaphthalene-1,3,5-trisulphonic acid
cas: 55524-84-0
chemspiderid: 4955586
dtxsid: DTXSID90204095
formula: C10H9N1O9S3
inchikey: ZBGXGVYIKJFNAT-UHFFFAOYSA-N
norman_susdat_id: NS00033334
pubchem_cid: 6453197
smiles: Nc1c(c2c(cc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO9S3/c11-8-2-1-6-7(10(8)23(18,19)20)3-5(21(12,13)14)4-9(6)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)


name: 4,11-diamino-2,3-dihydro-3-imino-2-(3-methoxybutyl)-1H-naphth[2,3-f]isoindole-1,5,10-trione
cas: 55524-89-5
dtxsid: DTXSID70970867
formula: C21H20N4O4
inchikey: PLCUNNRCOLFNTM-UHFFFAOYSA-N
norman_susdat_id: NS00056150
pubchem_cid: 6453198
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N)=C4C(=N)N(C(=O)C4=C(N)C13)CCC(OC)C
inchi:
InChI=1/C21H20N4O4/c1-9(29-2)7-8-25-20(24)14-15(21(25)28)17(23)13-12(16(14)22)18(26)10-5-3-4-6-11(10)19(13)27/h3-6,9,24H,7-8,22-23H2,1-2H3


name: 3,3'-(ureylenedimethylene)bis(3,5,5-trimethylcyclohexyl) diisocyanate
cas: 55525-54-7
dtxsid: DTXSID20885750
formula: C23H38N4O3
inchikey: SLSSBKMDWYZIRQ-UHFFFAOYSA-N
norman_susdat_id: NS00054883
pubchem_cid: 108344
smiles: O=C=NC1CC(C)(C)CC(C)(CNC(=O)NCC2(C)CC(N=C=O)CC(C)(C)C2)C1
eea_notation: CAS_55525-54-7
inchi:
InChI=1/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)


name: N,N-diethyl-3'-phenyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 55526-24-4
dtxsid: DTXSID80885751
formula: C27H25NO2
inchikey: KDMXIQJIVFETAO-UHFFFAOYSA-N
norman_susdat_id: NS00055762
pubchem_cid: 171454
smiles: O1C=2C=CC=CC2C=C(C=3C=CC=CC3)C14OC=5C=C(C=CC5C=C4)N(CC)CC
inchi:
InChI=1/C27H25NO2/c1-3-28(4-2)23-15-14-21-16-17-27(30-26(21)19-23)24(20-10-6-5-7-11-20)18-22-12-8-9-13-25(22)29-27/h5-19H,3-4H2,1-2H3


name: O,O-bis(4-tert-butylphenyl) N-cyclohexylphosphoramidothioate
cas: 55526-73-3
dtxsid: DTXSID40885752
formula: C26H38NO2PS
inchikey: XEJUCXJOKQACMB-UHFFFAOYSA-N
norman_susdat_id: NS00054424
pubchem_cid: 21507237
smiles: S=P(OC1=CC=C(C=C1)C(C)(C)C)(OC2=CC=C(C=C2)C(C)(C)C)NC3CCCCC3
inchi:
InChI=1/C26H38NO2PS/c1-25(2,3)20-12-16-23(17-13-20)28-30(31,27-22-10-8-7-9-11-22)29-24-18-14-21(15-19-24)26(4,5)6/h12-19,22H,7-11H2,1-6H3,(H,27,31)


name: Rotamicillin
cas: 55530-41-1
chemspiderid: 2319838
dtxsid: DTXSID80204100
formula: C28H31N5O5S1
inchikey: PXNNCSKFUDOUJS-ZUVQJFRASA-N
norman_susdat_id: NS00011642
pubchem_cid: 3058737
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)NC(=O)Cc4ccc(cc4)C5=NCCCN5)C(=O)O)C
inchi:
InChI=1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1


name: 9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(propionate)
cas: 55541-30-5
chebiid: CHEBI:135805
formula: C28H37FO7
inchikey: CIWBQSYVNNPZIQ-PKWREOPISA-N
norman_susdat_id: NS00087520
inchi:
InChI=1/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3

smiles:
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C


name: 17β-hydroxy-17-(3-hydroxy-1-propynyl)androst-4-ene-3-one
cas: 55542-26-2
chemspiderid: 4955592
formula: C22H30O3
inchikey: GBFFSHZRGVVSDW-ASWBSXDLSA-N
norman_susdat_id: NS00004429
pubchem_cid: 6453203
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2(O)C#CCO
inchi:
InChI=1S/C22H30O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,4-8,10-13H2,1-2H3/t17-,18+,19+,20+,21+,22?/m1/s1


name: 17Î²-hydroxy-17-(3-hydroxypropyl)androst-4-ene-4-one
cas: 55542-27-3
chemspiderid: NA
formula: C22H34O3
inchikey: BBQBWWOTUMFPIE-GUCLMQHLSA-N
norman_susdat_id: NS00002606
pubchem_cid: 13314936
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCCO
inchi:
InChI=1S/C22H34O3/c1-20-10-6-16(24)14-15(20)4-5-17-18(20)7-11-21(2)19(17)8-12-22(21,25)9-3-13-23/h14,17-19,23,25H,3-13H2,1-2H3/t17-,18+,19+,20+,21+,22+/m1/s1


name: (a-ethoxyvinyl)triphenylphosphonium bromide
cas: 55552-25-5
dtxsid: DTXSID40970894
formula: C22H22OP
inchikey: MLYSKCDJJUOXIR-UHFFFAOYSA-M
norman_susdat_id: NS00055766
pubchem_cid: 3016975
smiles: [Br-].O(C(=C)[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)CC
inchi:
InChI=1/C22H22OP.BrH/c1-3-23-19(2)24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3H2,1H3;1H/q+1;/p-1


name: Tixocortol pivalate
cas: 55560-96-8
chebiid: CHEBI:63564
chemspiderid: 16499327
formula: C26H38O5S1
inchikey: BISFDZNIUZIKJD-XDANTLIUSA-N
norman_susdat_id: NS00015411
pubchem_cid: 15052414
smiles: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC(=O)C(C)(C)C)O)C)O
inchi:
InChI=1S/C26H38O5S/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1


name: trans-(±)-[2-(ethoxycarbonyl)-2-phenylcyclohex-5-enyl]dimethylammonium hydrogen fumarate
cas: 55567-81-2
formula: C17H23NO2.C4H4O4
inchikey: PMBFJKOESQBPHB-RMLXEDMZSA-N
norman_susdat_id: NS00087559
smiles: CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2.OC(=O)\C=C\C(=O)O
inchi:
InChI=1/C17H23NO2.C4H4O4/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;5-3(6)1-2-4(7)8/h5-8,10-12,15H,4,9,13H2,1-3H3;1-2H,(H,5,6)(H,7,8)


cas: 5557-16-4
dtxsid: DTXSID10884171
formula: C22H20N4O13S4
inchikey: HSLDAOIDTZYRAD-UHFFFAOYSA-N
norman_susdat_id: NS00043789
pubchem_cid: 110666
smiles: O=C1N(N=C(C)C1N=NC2=CC=C3C(C=CC=C3S(=O)(=O)O)=C2S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O
name:
2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C22H20N4O13S4/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)


name: Acetarsol sodium
cas: 55588-51-7
formula: C8H10AsNO5.xNa
inchikey: UYQUMYMLNDDPIP-UHFFFAOYSA-N
norman_susdat_id: NS00087304
smiles: [Na+].CC(=O)Nc1cc(ccc1O)[As](=O)(O)O
inchi:
InChI=1/C8H10AsNO5.Na/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);/q;+1


name: Pentachlorophenyl N-((benzyloxy)carbonyl)-L-tyrosinate
cas: 55593-07-2
chemspiderid: 4955600
dtxsid: DTXSID70204139
formula: C23H16Cl5N1O5
inchikey: BFSGPTSTLLURBH-HNNXBMFYSA-N
norman_susdat_id: NS00033348
pubchem_cid: 6453211
smiles: Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1
inchi:
InChI=1S/C23H16Cl5NO5/c24-16-17(25)19(27)21(20(28)18(16)26)34-22(31)15(10-12-6-8-14(30)9-7-12)29-23(32)33-11-13-4-2-1-3-5-13/h1-9,15,30H,10-11H2,(H,29,32)/t15-/m0/s1


name: Hexadecamethylcyclooctasiloxane
cas: 556-68-3
chebiid: CHEBI:87984
dtxsid: DTXSID0060305
formula: C16H48O8Si8
inchikey: XKJMJYZFAWYREL-UHFFFAOYSA-N
norman_susdat_id: NS00043041
pubchem_cid: 11170
smiles: O1[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si]1(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
inchi:
InChI=1/C16H48O8Si8/c1-25(2)17-26(3,4)19-28(7,8)21-30(11,12)23-32(15,16)24-31(13,14)22-29(9,10)20-27(5,6)18-25/h1-16H3


name: Octadecamethyloctasiloxane
cas: 556-69-4
dtxsid: DTXSID5060306
formula: C18H54O7Si8
inchikey: VWGDPBQTSZDFMX-UHFFFAOYSA-N
norman_susdat_id: NS00043585
pubchem_cid: 11171
smiles: O([Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C
inchi:
InChI=1/C18H54O7Si8/c1-26(2,3)19-28(7,8)21-30(11,12)23-32(15,16)25-33(17,18)24-31(13,14)22-29(9,10)20-27(4,5)6/h1-18H3


name: Linear polydimethylsiloxane n=8
cas: 556-70-7
chemspiderid: 61680
dtxsid: DTXSID0060307
formula: C22H66O9Si10
inchikey: BWOVCDPFYDQAMX-UHFFFAOYSA-N
norman_susdat_id: NS00095791
pubchem_cid: 68395
inchi:
InChI=1S/C22H66O9Si10/c1-32(2,3)23-34(7,8)25-36(11,12)27-38(15,16)29-40(19,20)31-41(21,22)30-39(17,18)28-37(13,14)26-35(9,10)24-33(4,5)6/h1-22H3

smiles:
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C


name: Aluminium tri-tert-butanolate
cas: 556-91-2
formula: C4H10O.1/3Al
inchikey: MDDPTCUZZASZIQ-UHFFFAOYSA-N
norman_susdat_id: NS00080166
smiles: CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
inchi:
InChI=1/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3/rC12H27AlO3/c1-10(2,3)14-13(15-11(4,5)6)16-12(7,8)9/h1-9H3


name: Alverine dihydrogen citrate
cas: 5560-59-8
chebiid: CHEBI:53785
formula: C20H27N.C6H8O7
inchikey: RYHCACJBKCOBTJ-UHFFFAOYSA-N
norman_susdat_id: NS00080869
smiles: CCN(CCCc1ccccc1)CCCc2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C20H27N.C6H8O7/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,11-14H,2,9-10,15-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Xenysalate hydrochloride
cas: 5560-62-3
formula: C19H23NO3.ClH
inchikey: IBBPBOICXYUQID-UHFFFAOYSA-N
norman_susdat_id: NS00080870
smiles: Cl.CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2
inchi:
InChI=1/C19H23NO3.ClH/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15;/h5-12,21H,3-4,13-14H2,1-2H3;1H


name: Ethyl dibunate
cas: 5560-69-0
chebiid: CHEBI:135476
chemspiderid: 20416
dtxsid: DTXSID20204144
formula: C20H28O3S1
inchikey: ZAMACTJOCIFTPJ-UHFFFAOYSA-N
norman_susdat_id: NS00033350
pubchem_cid: 21721
smiles: CCOS(=O)(=O)c1cc(cc2cc(ccc12)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C20H28O3S/c1-8-23-24(21,22)18-13-16(20(5,6)7)12-14-11-15(19(2,3)4)9-10-17(14)18/h9-13H,8H2,1-7H3


name: Iprindole
cas: 5560-72-5
chebiid: CHEBI:135177
chemspiderid: 20417
dtxsid: DTXSID80204145
formula: C19H28N2
inchikey: PLIGPBGDXASWPX-UHFFFAOYSA-N
norman_susdat_id: NS00033351
pubchem_cid: 21722
smiles: CN(C)CCCn1c2c(CCCCCC2)c2c1cccc2
inchi:
InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3


name: Teclozan
cas: 5560-78-1
chebiid: CHEBI:135803
chemspiderid: 20418
dtxsid: DTXSID00204147
formula: C20H28Cl4N2O4
inchikey: MSJLJWCAEPENBL-UHFFFAOYSA-N
norman_susdat_id: NS00033352
pubchem_cid: 21723
smiles: CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl
inchi:
InChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3


name: N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)benzyloxycarbonyloxy] succinimide
cas: 556050-48-7
chemspiderid: 9170748
dtxsid: DTXSID20451116
formula: C20H14F13N1O5
inchikey: XLFQCGUSTBBBAK-UHFFFAOYSA-N
norman_susdat_id: NS00019127
pubchem_cid: 10995553
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(COC(=O)ON2C(=O)CCC2=O)C=C1
inchi:
InChI=1S/C20H14F13NO5/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)8-7-10-1-3-11(4-2-10)9-38-14(37)39-34-12(35)5-6-13(34)36/h1-4H,5-9H2


name: 1-[4-((Perfluorooctyl)ethyl)phenylmethoxycarbonyloxy]pyrrolidine-2,5-dione
cas: 556050-49-8
chemspiderid: 9258154
dtxsid: DTXSID40454503
formula: C22H14F17N1O5
inchikey: DLEHONFUGNNFOG-UHFFFAOYSA-N
norman_susdat_id: NS00019128
pubchem_cid: 11083007
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(COC(=O)ON2C(=O)CCC2=O)C=C1
inchi:
InChI=1S/C22H14F17NO5/c23-15(24,8-7-10-1-3-11(4-2-10)9-44-14(43)45-40-12(41)5-6-13(40)42)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h1-4H,5-9H2


name: 11-cis-Eicosenoic acid
cas: 5561-99-9
chebiid: CHEBI:32425
dtxsid: DTXSID30970949
formula: C20H38O2
inchikey: BITHHVVYSMSWAG-KTKRTIGZSA-N
norman_susdat_id: NS00070376
pubchem_cid: 5282768
smiles: CCCCCCCC/C=CCCCCCCCCCC(=O)O
inchi:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-


name: Thymidine, 5'-O-(triphenylmethyl)-
cas: 55612-11-8
chemspiderid: 448611
formula: C29H28N2O5
inchikey: FZDHVUVGQXVYOP-JIMJEQGWSA-N
norman_susdat_id: NS00022370
pubchem_cid: 514178
smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O
inchi:
InChI=1S/C29H28N2O5/c1-20-18-31(28(34)30-27(20)33)26-17-24(32)25(36-26)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-26,32H,17,19H2,1H3,(H,30,33,34)/t24-,25+,26+/m0/s1


name: 2,4-D-nonyl
cas: 55617-55-5
chemspiderid: 2284813
dtxsid: DTXSID5041350
formula: C17H24Cl2O3
inchikey: ROCGYVVXBRTTJN-UHFFFAOYSA-N
norman_susdat_id: NS00033353
pubchem_cid: 3016981
smiles: CCCCCCCCCOC(=O)COc1c(Cl)cc(Cl)cc1
inchi:
InChI=1S/C17H24Cl2O3/c1-2-3-4-5-6-7-8-11-21-17(20)13-22-16-10-9-14(18)12-15(16)19/h9-10,12H,2-8,11,13H2,1H3


name: Benzenamine, N-(2-chloroethyl)-N-ethyl-4-[(4-nitrophenyl)azo]-
cas: 55619-06-2
chemspiderid: 97778
dtxsid: DTXSID6069034
formula: C16H17Cl1N4O2
inchikey: ZSHZJDLVNUANAY-UHFFFAOYSA-N
norman_susdat_id: NS00033355
pubchem_cid: 108739
smiles: CCN(CCCl)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H17ClN4O2/c1-2-20(12-11-17)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)21(22)23/h3-10H,2,11-12H2,1H3/b19-18-


name: Ethanol, 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 55619-17-5
chemspiderid: 97779
dtxsid: DTXSID1069035
formula: C20H20Cl2N4O6
inchikey: FUTQQMRXKBWFIZ-UHFFFAOYSA-N
norman_susdat_id: NS00033356
pubchem_cid: 108740
smiles: CC(=O)OCCN(CCOC(C)=O)C1=CC=C(C=C1)N=NC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O
inchi:
InChI=1S/C20H20Cl2N4O6/c1-13(27)31-9-7-25(8-10-32-14(2)28)16-5-3-15(4-6-16)23-24-20-18(21)11-17(26(29)30)12-19(20)22/h3-6,11-12H,7-10H2,1-2H3/b24-23+


name: Ethanol, 2,2'-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 55619-18-6
chemspiderid: 97780
dtxsid: DTXSID6069036
formula: C20H20Br2N4O6
inchikey: AKGBLCAZNYPAGT-UHFFFAOYSA-N
norman_susdat_id: NS00033357
pubchem_cid: 108741
smiles: CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)N=Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
inchi:
InChI=1S/C20H20Br2N4O6/c1-13(27)31-9-7-25(8-10-32-14(2)28)16-5-3-15(4-6-16)23-24-20-18(21)11-17(26(29)30)12-19(20)22/h3-6,11-12H,7-10H2,1-2H3/b24-23+


name: Perfluoro-3,6,9-trioxaundecane-1,11-dioic acid
cas: 55621-18-6
chemspiderid: 2058945
dtxsid: DTXSID60381084
formula: C8H2F12O7
inchikey: QPFPCCRSQCFOIH-UHFFFAOYSA-N
norman_susdat_id: NS00019129
pubchem_cid: 2778696
smiles: OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(O)=O
inchi:
InChI=1S/C8H2F12O7/c9-3(10,1(21)22)25-5(13,14)7(17,18)27-8(19,20)6(15,16)26-4(11,12)2(23)24/h(H,21,22)(H,23,24)


name: Oxaline
cas: 55623-37-5
chemspiderid: 10225680
dtxsid: DTXSID60893990
formula: C24H25N5O4
inchikey: SOHAVULMGIITDH-ZXPSTKSJSA-N
norman_susdat_id: NS00094933
pubchem_cid: 70698220
smiles: CC(C)(C=C)[C@@]12C=C(C(=O)N3[C@]1(NC(=O)/C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)OC
inchi:
InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1


name: 8-bromoinosine
cas: 55627-73-1
dtxsid: DTXSID70970968
formula: C10H11BrN4O5
inchikey: XCAXTILLADBPII-UUOKFMHZSA-N
norman_susdat_id: NS00054900
pubchem_cid: NA
smiles: BrC1=NC=2C(O)=NC=NC2N1C3OC(CO)C(O)C3O
inchi:
InChI=1/C10H11BrN4O5/c11-10-14-4-7(12-2-13-8(4)19)15(10)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H,12,13,19)


name: 6-[bis(phosphonomethyl)amino]hexanoic acid
cas: 55628-97-2
dtxsid: DTXSID60204163
formula: C8H19NO8P2
inchikey: GOXRTIAORBGHBR-UHFFFAOYSA-N
norman_susdat_id: NS00054428
pubchem_cid: 2252211
smiles: O=C(O)CCCCCN(CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C8H19NO8P2/c10-8(11)4-2-1-3-5-9(6-18(12,13)14)7-19(15,16)17/h1-7H2,(H,10,11)(H2,12,13,14)(H2,15,16,17)


name: O-(4-hydroxyphenyl)-3,5-diiodo-D-tyrosine
cas: 5563-89-3
formula: C15H13I2NO4
inchikey: ZHSOTLOTTDYIIK-CYBMUJFWSA-N
norman_susdat_id: NS00080286
smiles: N[C@H](Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)C(=O)O
inchi:
InChI=1/C15H13I2NO4/c16-11-5-8(7-13(18)15(20)21)6-12(17)14(11)22-10-3-1-9(19)2-4-10/h1-6,13,19H,7,18H2,(H,20,21)


name: Alloxydim
cas: 55634-91-8
chemspiderid: 2298884
dtxsid: DTXSID8047210
formula: C17H25N1O5
inchikey: CBLVUXPPNHUKDE-QBFSEMIESA-N
norman_susdat_id: NS00007948
pubchem_cid: 3034433
smiles: CCCC(NOCC=C)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O
inchi:
InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-


name: Methyl 5-[1-[(allyloxy)imino]butyl]-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, sodium salt
cas: 55635-13-7
dtxsid: DTXSID9047041
formula: C17H25NO5
inchikey: MDJOAYPKUQORBI-UHFFFAOYSA-N
norman_susdat_id: NS00055782
pubchem_cid: 2834777
smiles: [Na+].O=C(OC)C1C(=O)C(C(=O)CC1(C)C)C(=NOCC=C)CCC
inchi:
InChI=1/C17H25NO5.Na/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5;/h7,13-14H,2,6,8-10H2,1,3-5H3;/q;+1


name: Erythro-N-benzyl-3-(benzylamino)aspartic acid
cas: 55645-40-4
dtxsid: DTXSID30891246
formula: C18H20N2O4
inchikey: FZEXWQSUEVTZEC-UHFFFAOYSA-N
norman_susdat_id: NS00055783
pubchem_cid: 108349
smiles: O=C(O)C(NCC=1C=CC=CC1)C(NCC=2C=CC=CC2)C(=O)O
inchi:
InChI=1/C18H20N2O4/c21-17(22)15(19-11-13-7-3-1-4-8-13)16(18(23)24)20-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)


name: 5-ß-pregnane-3-a,11-a,20-ß-triol
cas: 55647-22-8
dtxsid: DTXSID40970990
formula: C21H36O3
inchikey: CZHLKVQGWWCQEG-UHFFFAOYSA-N
norman_susdat_id: NS00054455
pubchem_cid: 542398
smiles: OC1CCC2(C)C(CCC3C4CCC(C(O)C)C4(C)CC(O)C32)C1
inchi:
InChI=1/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3


cas: 55648-03-8
formula: C18H16O7.C6H15NO3
inchikey: RULZVYDQGSZNRR-UHFFFAOYSA-N
norman_susdat_id: NS00087562
smiles: CC(=O)C1C(=O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O.OCCN(CCO)CCO
name:
2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3(2H,9bH)-dione, compound with 2,2',2''-nitrilotriethanol (1:1)

inchi:
InChI=1/C18H16O7.C6H15NO3/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;8-4-1-7(2-5-9)3-6-10/h5,11,22-23H,1-4H3;8-10H,1-6H2


cas: 55664-78-3
formula: C41H43Cl3N6O5
inchikey: NFEPASHQYDHYMK-UHFFFAOYSA-N
norman_susdat_id: NS00055829
pubchem_cid: 171464
name:
3-[[[2,4-bis(tert-pentyl)phenoxy]acetyl]amino]-N-[4,5-dihydro-4-[(methoxyphenyl)azo]-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]benzamide

inchi:
InChI=1/C41H43Cl3N6O5/c1-8-40(3,4)25-17-18-32(28(20-25)41(5,6)9-2)55-23-34(51)45-27-14-12-13-24(19-27)38(52)46-37-35(48-47-31-15-10-11-16-33(31)54-7)39(53)50(49-37)36-29(43)21-26(42)22-30(36)44/h10-22,35H,8-9,23H2,1-7H3,(H,45,51)(H,46,49,52)

smiles:
O=C(NC1=NN(C(=O)C1N=NC=2C=CC=CC2OC)C=3C(Cl)=CC(Cl)=CC3Cl)C=4C=CC=C(C4)NC(=O)COC5=CC=C(C=C5C(C)(C)CC)C(C)(C)CC


name: C.I. Pigment Yellow 83
cas: 5567-15-7
chemspiderid: 20428
dtxsid: DTXSID1021453
formula: C36H32Cl4N6O8
inchikey: NKXPXRNUMARIMZ-UHFFFAOYSA-N
norman_susdat_id: NS00006520
pubchem_cid: 21733
smiles: COc1cc(NC(=O)C(N=Nc2ccc(cc2Cl)-c2ccc(N=NC(C(C)=O)C(=O)Nc3cc(OC)c(Cl)cc3OC)c(Cl)c2)C(C)=O)c(OC)cc1Cl
inchi:
InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)


name: 2,2-Bis(hydroxymethyl)-1,3-propanediyl dioctanoate
cas: 55680-37-0
chemspiderid: 9792758
dtxsid: DTXSID10204198
formula: C21H40O6
inchikey: GZJYBYBQDJAIJV-UHFFFAOYSA-N
norman_susdat_id: NS00033364
pubchem_cid: 11618009
smiles: CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC
inchi:
InChI=1S/C21H40O6/c1-3-5-7-9-11-13-19(24)26-17-21(15-22,16-23)18-27-20(25)14-12-10-8-6-4-2/h22-23H,3-18H2,1-2H3


name: 1-heptyl-1,2,3,4-tetrahydro-4-methylnaphthalene
cas: 55682-84-3
dtxsid: DTXSID80880807
formula: C18H28
inchikey: SBMIKEMQTOPDTC-UHFFFAOYSA-N
norman_susdat_id: NS00054493
pubchem_cid: 108350
smiles: C=1C=CC2=C(C1)C(C)CCC2CCCCCCC
inchi:
InChI=1/C18H28/c1-3-4-5-6-7-10-16-14-13-15(2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3


name: Methyl octacosanoate
cas: 55682-92-3
chemspiderid: 37882
dtxsid: DTXSID60204204
formula: C29H58O2
inchikey: ZKHOYAKAFALNQD-UHFFFAOYSA-N
norman_susdat_id: NS00033366
pubchem_cid: 41518
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3


cas: 55692-91-6
dtxsid: DTXSID30971057
formula: C42H68O13
inchikey: GXGWMLXTOYNICE-UHFFFAOYSA-N
norman_susdat_id: NS00054965
pubchem_cid: NA
smiles: O=C1OCC(C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CCC23C
name:
Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3ß,5ß)-

inchi:
InChI=1/C42H68O13/c1-21-37(48-6)30(43)17-35(50-21)54-39-23(3)52-36(19-32(39)45)55-38-22(2)51-34(18-31(38)44)53-26-9-12-40(4)25(16-26)7-8-29-28(40)10-13-41(5)27(11-14-42(29,41)47)24-15-33(46)49-20-24/h21-32,34-39,43-45,47H,7-20H2,1-6H3


name: 4-chloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
cas: 55694-04-7
dtxsid: DTXSID90971058
formula: C14H18ClN3O3
inchikey: KQENTMUKOJQLHZ-UHFFFAOYSA-N
norman_susdat_id: NS00054494
pubchem_cid: 6453227
smiles: ClC1(N=CNC=C1CC2=CC(OC)=C(OC)C(OC)=C2)N
inchi:
InChI=1/C14H18ClN3O3/c1-19-11-5-9(6-12(20-2)13(11)21-3)4-10-7-17-8-18-14(10,15)16/h5-8H,4,16H2,1-3H3,(H,17,18)


name: Sodium 4,8-diamino-9,10-dihydro-1,5-dihydroxy-6-(4-hydroxyphenyl)-9,10-dioxoanthracene-2-sulphonate
cas: 55694-11-6
dtxsid: DTXSID20204225
formula: C20H14N2O8S
inchikey: HOKTUGJBRVGKGK-UHFFFAOYSA-M
norman_susdat_id: NS00055830
pubchem_cid: 3016987
smiles: [Na+].O=C1C2=C(N)C=C(C(O)=C2C(=O)C3=C(N)C=C(C(O)=C13)C=4C=CC(O)=CC4)S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O8S.Na/c21-10-5-9(7-1-3-8(23)4-2-7)17(24)15-13(10)20(27)16-14(19(15)26)11(22)6-12(18(16)25)31(28,29)30;/h1-6,23-25H,21-22H2,(H,28,29,30);/q;+1/p-1


cas: 55698-26-5
formula: C37H32N6O10S3
inchikey: XGVRDYRFXLMBHH-UHFFFAOYSA-L
norman_susdat_id: NS00055851
pubchem_cid: 6453230
name:
Disodium 4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3',5-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-3-sulphonate

inchi:
InChI=1/C37H32N6O10S3.2Na/c1-22-5-14-32(15-6-22)56(51,52)53-30-12-8-28(9-13-30)38-39-33-18-7-26(19-23(33)2)27-20-24(3)35(34(21-27)55(48,49)50)40-41-36-25(4)42-43(37(36)44)29-10-16-31(17-11-29)54(45,46)47;;/h5-21,36H,1-4H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=C(C=C(C=C2S(=O)(=O)[O-])C=3C=CC(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)=C(C3)C)C)C6=CC=C(C=C6)S(=O)(=O)[O-]


cas: 55698-27-6
formula: C37H32N6O10S3
inchikey: IXVRKGLTSYAEMD-UHFFFAOYSA-L
norman_susdat_id: NS00054892
pubchem_cid: 6453232
name:
Disodium 4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-3',5-dimethyl-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-3-sulphonate

inchi:
InChI=1/C37H32N6O10S3.2Na/c1-22-5-14-32(15-6-22)56(51,52)53-30-12-8-28(9-13-30)38-40-35-24(3)20-27(21-34(35)55(48,49)50)26-7-18-33(23(2)19-26)39-41-36-25(4)42-43(37(36)44)29-10-16-31(17-11-29)54(45,46)47;;/h5-21,36H,1-4H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=CC(=CC2C)C3=CC(=C(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)C(=C3)S(=O)(=O)[O-])C)C6=CC=C(C=C6)S(=O)(=O)[O-]


name: Magnesium distearate
cas: 557-04-0
chebiid: CHEBI:9254
formula: C18H36O2.1/2Mg
inchikey: HQKMJHAJHXVSDF-UHFFFAOYSA-L
norman_susdat_id: NS00080495
smiles: [Mg+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Zinc distearate
cas: 557-05-1
dtxsid: DTXSID7027209
formula: C36H70O4Zn
inchikey: XOOUIPVCVHRTMJ-UHFFFAOYSA-L
norman_susdat_id: NS00074474
smiles: [Zn++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O
inchi:
InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: (Z)-(octadecanoato-O)(9-octadecenoato-O)zinc
cas: 557-06-2
formula: C36H68O4Zn
inchikey: HDLHNFQWUFVJRC-UHFFFAOYSA-L
norman_susdat_id: NS00080806
smiles: CCCCCCCCCCCCCCCCCC(=O)O[Zn]OC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H36O2.C18H34O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Zinc dioleate
cas: 557-07-3
formula: C18H34O2.1/2Zn
inchikey: LPEBYPDZMWMCLZ-CVBJKYQLSA-L
norman_susdat_id: NS00080199
smiles: [Zn+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Zn/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: ximenynic acid
cas: 557-58-4
chemspiderid: 4472113
formula: C18H30O2
inchikey: VENIIVIRETXKSV-UHFFFAOYSA-N
norman_susdat_id: NS00005230
pubchem_cid: 92809
smiles: CCCCCCC=CC#CCCCCCCCC(O)=O
inchi:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)


name: Tetracosanoic acid
cas: 557-59-5
chebiid: CHEBI:28866
chemspiderid: 10724
dtxsid: DTXSID6021664
formula: C24H48O2
inchikey: QZZGJDVWLFXDLK-UHFFFAOYSA-N
norman_susdat_id: NS00020095
pubchem_cid: 11197
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
inchi:
InChI=1S/C24H48O2/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)26/h2-23H2,1H3,(H,25,26)


name: 1-Octacosanol
cas: 557-61-9
chebiid: CHEBI:28243
chemspiderid: 61689
dtxsid: DTXSID1025803
formula: C28H58O1
inchikey: CNNRPFQICPFDPO-UHFFFAOYSA-N
norman_susdat_id: NS00019613
pubchem_cid: 68406
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
inchi:
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3


name: Estradiene dione-3-keta
cas: 5571-36-8
chemspiderid: 5429226
dtxsid: DTXSID30427741
formula: C20H26O3
inchikey: XUOQKQRMICQUQC-AOIWGVFYSA-N
norman_susdat_id: NS00011480
pubchem_cid: 7076399
smiles: C[C@]12CC=C3[C@@H](CCC4=C3CCC5(C4)OCCO5)[C@@H]1CCC2=O
inchi:
InChI=1S/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/m1/s1


name: 5-phenyl-1H-tetrazole, barium salt
cas: 55719-88-5
formula: C7H6N4.1/2Ba
inchikey: UWEHKQXAACULAX-UHFFFAOYSA-N
norman_susdat_id: NS00087613
smiles: [Ba](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4
inchi:
InChI=1/2C7H5N4.Ba/c2*1-2-4-6(5-3-1)7-8-10-11-9-7;/h2*1-5H;/q2*-1;+2/rC14H10BaN8/c1-3-7-11(8-4-1)13-16-18-20-22(13)15-23-14(17-19-21-23)12-9-5-2-6-10-12/h1-10H


name: 5-phenyl-1H-tetrazole, calcium salt
cas: 55719-89-6
formula: C7H6N4.1/2Ca
inchikey: LIQUIQYZHDBODX-UHFFFAOYSA-N
norman_susdat_id: NS00087570
smiles: [Ca](n1nnnc1c2ccccc2)n3nnnc3c4ccccc4
inchi:
InChI=1/2C7H5N4.Ca/c2*1-2-4-6(5-3-1)7-8-10-11-9-7;/h2*1-5H;/q2*-1;+2/rC14H10CaN8/c1-3-7-11(8-4-1)13-16-18-20-22(13)15-23-14(17-19-21-23)12-9-5-2-6-10-12/h1-10H


name: Sodium 7-[(chloroacetyl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonate
cas: 5572-43-0
formula: C18H14ClN3O5S
inchikey: ANVUYAMVGIAPER-UHFFFAOYSA-M
norman_susdat_id: NS00043780
pubchem_cid: 3014369
smiles: [Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)[O-])CCl
inchi:
InChI=1/C18H14ClN3O5S.Na/c19-10-16(23)20-13-6-7-14-11(8-13)9-15(28(25,26)27)17(18(14)24)22-21-12-4-2-1-3-5-12;/h1-9,24H,10H2,(H,20,23)(H,25,26,27);/q;+1/p-1


name: (2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-4'-yl)hydroxymercury
cas: 55728-51-3
formula: C20H10Br2HgO6
inchikey: GWQCGQYPYHOMSJ-UHFFFAOYSA-M
norman_susdat_id: NS00087614
smiles: O[Hg]c1c(O)c(Br)cc2c1Oc3cc(O)c(Br)cc3C24OC(=O)c5ccccc45
inchi:
InChI=1/C20H9Br2O5.Hg.H2O/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20;;/h1-7,23-24H;;1H2/q;+1;/p-1/rC20H10Br2HgO6/c21-12-5-10-15(7-14(12)24)28-18-11(6-13(22)17(25)16(18)23-27)20(10)9-4-2-1-3-8(9)19(26)29-20/h1-7,24-25,27H


name: Phenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
cas: 5574-80-1
chebiid: CHEBI:61632
chemspiderid: 99719
dtxsid: DTXSID40204287
formula: C14H19N1O6
inchikey: ZUJDLWWYFIZERS-DHGKCCLASA-N
norman_susdat_id: NS00033383
pubchem_cid: 111087
smiles: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccccc1
inchi:
InChI=1S/C14H19NO6/c1-8(17)15-11-13(19)12(18)10(7-16)21-14(11)20-9-5-3-2-4-6-9/h2-6,10-14,16,18-19H,7H2,1H3,(H,15,17)/t10-,11-,12-,13-,14-/m1/s1


name: Tetrabutylammonium dihydrogen phosphate
cas: 5574-97-0
formula: C16H36N.H2O4P
inchikey: ARRNBPCNZJXHRJ-UHFFFAOYSA-K
norman_susdat_id: NS00080287
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: (S)-2,3-Dihydro-5,7-dihydroxy-8-methyl-2-phenyl-4-benzopyrone
cas: 55743-21-0
chebiid: CHEBI:70663
chemspiderid: 4955632
dtxsid: DTXSID10204294
formula: C16H14O4
inchikey: QSRIZZQWNHKERT-AWEZNQCLSA-N
norman_susdat_id: NS00033379
pubchem_cid: 6453244
smiles: Cc1c(O)cc(O)c2c1O[C@@H](CC2=O)c1ccccc1
inchi:
InChI=1S/C16H14O4/c1-9-11(17)7-12(18)15-13(19)8-14(20-16(9)15)10-5-3-2-4-6-10/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1


name: 1-(Coumaran-5-ylmethyl)-4-(2-thiazolyl)piperazine
cas: 55745-35-2
chemspiderid: 149902
dtxsid: DTXSID50204298
formula: C16H19N3O1S1
inchikey: PZGCFBVHUMLXBW-UHFFFAOYSA-N
norman_susdat_id: NS00033380
pubchem_cid: 171470
smiles: [Cl-].C(N1CCN(CC1)c1nccs1)c1ccc2OCCc2c1.[H+]
inchi:
InChI=1S/C16H19N3OS/c1-2-15-14(3-9-20-15)11-13(1)12-18-5-7-19(8-6-18)16-17-4-10-21-16/h1-2,4,10-11H,3,5-9,12H2


name: Cefalonium
cas: 5575-21-3
chebiid: CHEBI:95345
chemspiderid: 20438
dtxsid: DTXSID5045388
formula: C20H19N4O5S2
inchikey: FMZXNVLFJHCSAF-DNVCBOLYSA-N
norman_susdat_id: NS00006696
pubchem_cid: 21743
smiles: NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc2cccs2)C3=O)C([O-])=O)cc1
inchi:
InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1


name: N-MALEOYL-6-AMINOHEXANOIC ACID
cas: 55750-53-3
chemspiderid: 16620850
dtxsid: DTXSID10876051
formula: C16H28N4O7S2
inchikey: KOSBTFBVFRORNT-NAKRPEOUSA-N
norman_susdat_id: NS00006066
pubchem_cid: NA
smiles: CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(O)=O
inchi:
InChI=1S/C16H28N4O7S2/c1-8(16(26)27)18-15(25)11(7-28)20-14(24)10(5-6-29-2)19-13(23)9(17)3-4-12(21)22/h8-11,28H,3-7,17H2,1-2H3,(H,18,25)(H,19,23)(H,20,24)(H,21,22)(H,26,27)/t8-,9-,10-,11-/m0/s1


name: 1-[2-[(2-chlorophenyl)phenylmethoxy]ethyl]-4-[(o-tolyl)methyl]piperazine dihydrochloride
cas: 5576-62-5
formula: C27H31ClN2O.2ClH
inchikey: ZTACEXAAXMFRGD-UHFFFAOYSA-N
norman_susdat_id: NS00080543
smiles: Cl.Cl.Cc1ccccc1CN2CCN(CCOC(c3ccccc3)c4ccccc4Cl)CC2
inchi:
InChI=1/C27H31ClN2O.2ClH/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28;;/h2-14,27H,15-21H2,1H3;2*1H


name: 4-(4-(2-Chlorophenyl)-2-phenyloxazol-5-yl)-N,N-diethylaniline
cas: 55766-52-4
chemspiderid: 2284824
dtxsid: DTXSID40204328
formula: C25H23Cl1N2O1
inchikey: JHXYCTMOASWKJJ-UHFFFAOYSA-N
norman_susdat_id: NS00033388
pubchem_cid: 3016995
smiles: CCN(CC)c1ccc(cc1)c1c(nc(o1)c1ccccc1)c1c(Cl)cccc1
inchi:
InChI=1S/C25H23ClN2O/c1-3-28(4-2)20-16-14-18(15-17-20)24-23(21-12-8-9-13-22(21)26)27-25(29-24)19-10-6-5-7-11-19/h5-17H,3-4H2,1-2H3


cas: 55772-05-9
dtxsid: DTXSID30204332
formula: C37H31Cl2N8O10S3
inchikey: ALKRMTFICZQUIM-UHFFFAOYSA-L
norman_susdat_id: NS00055016
pubchem_cid: NA
name:
Dihydrogen 3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium

inchi:
InChI=1/C37H30Cl2N8O10S3/c1-3-46(20-21-5-4-6-26(15-21)58(48,49)50)24-9-13-28-31(18-24)47(25-10-14-32(57-2)34(19-25)60(54,55)56)30-16-22(7-11-27(30)42-28)40-29-12-8-23(17-33(29)59(51,52)53)41-37-44-35(38)43-36(39)45-37/h4-19H,3,20H2,1-2H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56)/p-2

smiles:
O=S(=O)([O-])C=1C=CC=C(C1)CN(C=2C=CC3=NC=4C=CC(=CC4[N+](C=5C=CC(OC)=C(C5)S(=O)(=O)[O-])=C3C2)NC6=CC=C(C=C6S(=O)(=O)[O-])NC=7N=C(Cl)N=C(Cl)N7)CC


cas: 55772-12-8
dtxsid: DTXSID90204333
formula: C38H34ClN8O11S3
inchikey: UOEOXEFTLMDOED-UHFFFAOYSA-L
norman_susdat_id: NS00055900
pubchem_cid: NA
name:
Dihydrogen 3-[[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]amino]-7-[ethyl[(3-sulphonatophenyl)methyl]amino]-5-(4-methoxy-3-sulphonatophenyl)phenazinium

inchi:
InChI=1/C38H33ClN8O11S3/c1-4-46(21-22-6-5-7-27(16-22)59(48,49)50)25-10-14-29-32(19-25)47(26-11-15-33(57-2)35(20-26)61(54,55)56)31-17-23(8-12-28(31)42-29)40-30-13-9-24(18-34(30)60(51,52)53)41-37-43-36(39)44-38(45-37)58-3/h5-20H,4,21H2,1-3H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56)/p-2

smiles:
O=S(=O)([O-])C=1C=CC=C(C1)CN(C=2C=CC3=NC=4C=CC(=CC4[N+](C=5C=CC(OC)=C(C5)S(=O)(=O)[O-])=C3C2)NC6=CC=C(C=C6S(=O)(=O)[O-])NC=7N=C(Cl)N=C(N7)OC)CC


name: 2'-anilino-3'-methyl-6'-pyrrolidinylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 55772-72-0
dtxsid: DTXSID40886148
formula: C31H26N2O3
inchikey: JFNWGAYGVJGNBG-UHFFFAOYSA-N
norman_susdat_id: NS00055901
pubchem_cid: 108361
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NC=5C=CC=CC5)C)N6CCCC6)C=7C=CC=CC17
inchi:
InChI=1/C31H26N2O3/c1-20-17-28-26(19-27(20)32-21-9-3-2-4-10-21)31(24-12-6-5-11-23(24)30(34)36-31)25-14-13-22(18-29(25)35-28)33-15-7-8-16-33/h2-6,9-14,17-19,32H,7-8,15-16H2,1H3


name: 2'-(dibenzylamino)-6'-pyrrolidinylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 55772-83-3
dtxsid: DTXSID00971145
formula: C38H32N2O3
inchikey: IHAOPBUXNUKKIQ-UHFFFAOYSA-N
norman_susdat_id: NS00054954
pubchem_cid: 6453254
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC=5C=CC=CC5)CC=6C=CC=CC6)N7CCCC7)C=8C=CC=CC18
inchi:
InChI=1/C38H32N2O3/c41-37-31-15-7-8-16-32(31)38(43-37)33-19-17-30(39-21-9-10-22-39)24-36(33)42-35-20-18-29(23-34(35)38)40(25-27-11-3-1-4-12-27)26-28-13-5-2-6-14-28/h1-8,11-20,23-24H,9-10,21-22,25-26H2


name: 2,2,3,3,4,4,4-Heptafluorobutyl diphenylphosphinate
cas: 55776-72-2
dtxsid: DTXSID90896717
formula: C16H12F7O2P
inchikey: XTMMQBINMKHYNZ-UHFFFAOYSA-N
norman_susdat_id: NS00112200
smiles: FC(F)(F)C(F)(F)C(F)(F)COP(=O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C16H12F7O2P/c17-14(18,15(19,20)16(21,22)23)11-25-26(24,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2


name: Astromicin
cas: 55779-06-1
chebiid: CHEBI:37923
chemspiderid: 4447577
dtxsid: DTXSID2022624
formula: C17H35N5O6
inchikey: BIDUPMYXGFNAEJ-APGVDKLISA-N
norman_susdat_id: NS00011544
pubchem_cid: 5284517
smiles: C[C@@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)O)N)N)N
inchi:
InChI=1S/C17H35N5O6/c1-7(19)9-5-4-8(20)17(27-9)28-15-11(21)13(24)16(26-3)12(14(15)25)22(2)10(23)6-18/h7-9,11-17,24-25H,4-6,18-21H2,1-3H3/t7-,8+,9-,11-,12-,13-,14+,15+,16+,17+/m0/s1


name: (1alpha,5alpha,17beta)-17-Hydroxy-1-methylandrostan-3-one 3-(cyclopentyl)propionate
cas: 55779-17-4
chemspiderid: 21161644
dtxsid: DTXSID50204339
formula: C28H44O3
inchikey: FBGHXXFATQRKKD-HHWAAIEOSA-N
norman_susdat_id: NS00033392
pubchem_cid: 56841911
smiles: CC1CC(=O)CC2CCC3C4CCC(OC(=O)CCC5CCCC5)C4(C)CCC3C12C
inchi:
InChI=1S/C28H44O3/c1-18-16-21(29)17-20-9-10-22-23-11-12-25(27(23,2)15-14-24(22)28(18,20)3)31-26(30)13-8-19-6-4-5-7-19/h18-20,22-25H,4-17H2,1-3H3/t18-,20-,22-,23-,24-,25-,27-,28-/m0/s1


name: Arprinocid
cas: 55779-18-5
chemspiderid: 37936
dtxsid: DTXSID3057773
formula: C12H9Cl1F1N5
inchikey: NAPNOSFRRMHNBJ-UHFFFAOYSA-N
norman_susdat_id: NS00000011
pubchem_cid: 41574
smiles: c1cc(c(c(c1)Cl)Cn2cnc3c2ncnc3N)F
inchi:
InChI=1S/C12H9ClFN5/c13-8-2-1-3-9(14)7(8)4-19-6-18-10-11(15)16-5-17-12(10)19/h1-3,5-6H,4H2,(H2,15,16,17)


name: Sunitinib
cas: 557795-19-4
chebiid: CHEBI:38940
chemspiderid: 4486264
dtxsid: DTXSID1041134
formula: C22H27F1N4O2
inchikey: WINHZLLDWRZWRT-ATVHPVEESA-N
norman_susdat_id: NS00004661
pubchem_cid: 5329102
smiles: CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2/C(=O)Nc3ccc(F)cc23)c1C
inchi:
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-


name: 3,6,9,12,15,18,21,24,27-Nonaoxanonacosane-1,29-diol
cas: 5579-66-8
chebiid: CHEBI:46550
chemspiderid: 71989
dtxsid: DTXSID50204354
formula: C20H42O11
inchikey: DTPCFIHYWYONMD-UHFFFAOYSA-N
norman_susdat_id: NS00001004
pubchem_cid: 79689
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2


name: Aldioxa
cas: 5579-81-7
formula: C4H7AlN4O5
inchikey: JBSKYLXIYKLOLP-UHFFFAOYSA-K
norman_susdat_id: NS00081146
smiles: NC(=O)NC1N=C(NC1=O)O[Al](O)O
inchi:
InChI=1/C4H6N4O3.Al.2H2O/c5-3(10)6-1-2(9)8-4(11)7-1;;;/h1H,(H3,5,6,10)(H2,7,8,9,11);;2*1H2/q;+3;;/p-3/rC4H7AlN4O5/c6-3(11)7-1-2(10)9-4(8-1)14-5(12)13/h1,12-13H,(H3,6,7,11)(H,8,9,10)


cas: 55798-23-7
dtxsid: DTXSID20886181
formula: C25H28ClN2
inchikey: OCTNBGGOFXPRLI-UHFFFAOYSA-M
norman_susdat_id: NS00055017
pubchem_cid: NA
smiles: [Cl-].ClC1=CC=C2C(=C1)C(C(=CC=[N+]3C=4C=CC=CC4C5CCCCC35)N2C)(C)C
name:
9-[(5-chloro-1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3,4,4a,9,9a-hexahydro-1H-carbazolium chloride

inchi:
InChI=1/C25H28ClN2.ClH/c1-25(2)20-16-17(26)12-13-23(20)27(3)24(25)14-15-28-21-10-6-4-8-18(21)19-9-5-7-11-22(19)28;/h4,6,8,10,12-16,19,22H,5,7,9,11H2,1-3H3;1H/q+1;/p-1


cas: 5580-57-4
chemspiderid: 99337
dtxsid: DTXSID40863570
formula: C43H35Cl5N8O6
inchikey: PFTIMORLWNOYIQ-UHFFFAOYSA-N
norman_susdat_id: NS00007048
pubchem_cid: 110674
name:
Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(3-chloro-2-methylphenyl)-

inchi:
InChI=1S/C43H35Cl5N8O6/c1-20-16-35(52-43(62)39(24(5)58)56-54-37-18-26(13-15-30(37)47)41(60)50-33-11-7-9-28(45)22(33)3)31(48)19-34(20)51-42(61)38(23(4)57)55-53-36-17-25(12-14-29(36)46)40(59)49-32-10-6-8-27(44)21(32)2/h6-19,38-39H,1-5H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)

smiles:
CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)Nc1cccc(Cl)c1C)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cccc(Cl)c2C)C(C)=O)cc1C


cas: 5580-58-5
chemspiderid: 99338
dtxsid: DTXSID30884173
formula: C42H32Cl6N8O6
inchikey: ADHAFJLXGIAZAN-UHFFFAOYSA-N
norman_susdat_id: NS00010162
pubchem_cid: 110675
name:
Benzamide, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-(5-chloro-2-methylphenyl)-

inchi:
InChI=1S/C42H32Cl6N8O6/c1-19-5-9-25(43)15-31(19)49-39(59)23-7-11-27(45)35(13-23)53-55-37(21(3)57)41(61)51-33-17-30(48)34(18-29(33)47)52-42(62)38(22(4)58)56-54-36-14-24(8-12-28(36)46)40(60)50-32-16-26(44)10-6-20(32)2/h5-18,37-38H,1-4H3,(H,49,59)(H,50,60)(H,51,61)(H,52,62)

smiles:
CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)Nc1cc(Cl)ccc1C)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cc(Cl)ccc2C)C(C)=O)cc1Cl


name: 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-
cas: 55804-65-4
chebiid: CHEBI:51941
chemspiderid: 97809
dtxsid: DTXSID9069051
formula: C16H15N1O4
inchikey: KCDCNGXPPGQERR-UHFFFAOYSA-N
norman_susdat_id: NS00033400
pubchem_cid: 108770
smiles: [O-]C(=O)c1cc2cc3c4N(CCC3)CCCc4c2oc1=O
inchi:
InChI=1S/C16H15NO4/c18-15(19)12-8-10-7-9-3-1-5-17-6-2-4-11(13(9)17)14(10)21-16(12)20/h7-8H,1-6H2,(H,18,19)


cas: 55804-66-5
chebiid: CHEBI:51940
chemspiderid: 65514
dtxsid: DTXSID4069052
formula: C18H19N1O4
inchikey: VMJKUPWQKZFFCX-UHFFFAOYSA-N
norman_susdat_id: NS00033401
pubchem_cid: 72653
smiles: CCOC(=O)c1cc2c(oc1=O)c1c3N(CCCc3c2)CCC1
name:
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester

inchi:
InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3


name: 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one, 10-acetyl-2,3,6,7-tetrahydro-
cas: 55804-67-6
chemspiderid: 65516
dtxsid: DTXSID9069053
formula: C17H17N1O3
inchikey: JBPCDMSEJVCNGV-UHFFFAOYSA-N
norman_susdat_id: NS00033402
pubchem_cid: 72655
smiles: CC(=O)c1cc2c(oc1=O)c1c3N(CCCc3c2)CCC1
inchi:
InChI=1S/C17H17NO3/c1-10(19)14-9-12-8-11-4-2-6-18-7-3-5-13(15(11)18)16(12)21-17(14)20/h8-9H,2-7H2,1H3


name: BADGE*2H2O (Badge 2)
cas: 5581-32-8
chemspiderid: 99341
formula: C21H28O6
inchikey: NISVZEWKUNUGQQ-UHFFFAOYSA-N
norman_susdat_id: NS00008778
pubchem_cid: 110678
smiles: CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CO)cc1
inchi:
InChI=1S/C21H28O6/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,22-25H,11-14H2,1-2H3


name: Thiamiprine
cas: 5581-52-2
chebiid: CHEBI:135218
chemspiderid: 2624658
dtxsid: DTXSID70204396
formula: C9H8N8O2S1
inchikey: YFTWHEBLORWGNI-UHFFFAOYSA-N
norman_susdat_id: NS00033405
pubchem_cid: 3379405
smiles: Cn1cnc(c1Sc1nc(N)nc2c1[nH]cn2)[N+](=O)[O-]
inchi:
InChI=1S/C9H8N8O2S/c1-16-3-13-6(17(18)19)8(16)20-7-4-5(12-2-11-4)14-9(10)15-7/h2-3H,1H3,(H3,10,11,12,14,15)


cas: 55811-23-9
formula: C33H22Cl2N2O4
inchikey: JPOAXWSMFOLMQH-ALPNJANWSA-N
norman_susdat_id: NS00053555
pubchem_cid: 73135
smiles: O=C(O)C1=CC(N=C2C=CC(C=C2)=C(C=3C=CC=CC3)C4=CC=C(C=C4)NC5=CC=C(Cl)C(=C5)C(=O)O)=CC=C1Cl
name:
5-[[4-[[4-[(3-carboxy-4-chlorophenyl)amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]amino]-2-chlorobenzoic acid

inchi:
InChI=1/C33H22Cl2N2O4/c34-29-16-14-25(18-27(29)32(38)39)36-23-10-6-21(7-11-23)31(20-4-2-1-3-5-20)22-8-12-24(13-9-22)37-26-15-17-30(35)28(19-26)33(40)41/h1-19,36H,(H,38,39)(H,40,41)


cas: 55811-25-1
formula: C27H32N2O4S2Se
inchikey: KTQCCGGJPFHOIH-UHFFFAOYSA-N
norman_susdat_id: NS00086553
smiles: [O-]S(=O)(=O)CCC[n+]3c4cc(OCC)ccc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC
name:
5-ethoxy-2-[2-[(3-ethyl-5-methyl-3H-benzoselenazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C27H32N2O4S2Se/c1-5-20(17-27-28(6-2)23-15-19(4)9-12-25(23)36-27)16-26-29(13-8-14-35(30,31)32)22-18-21(33-7-3)10-11-24(22)34-26/h9-12,15-18H,5-8,13-14H2,1-4H3


cas: 55811-26-2
dtxsid: DTXSID00204400
formula: C24H27N2O5S2
inchikey: BOFHDMZYLSGIHY-UHFFFAOYSA-N
norman_susdat_id: NS00054053
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC(=CC=3OC=4C=CC(OC)=CC4[N+]3C)CC
name:
5-methoxy-3-methyl-2-[2-[[3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]benzoxazolium

inchi:
InChI=1/C24H26N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3


cas: 55811-27-3
formula: C32H33F3N3O4S
inchikey: IULVLZZEJOWANV-UHFFFAOYSA-N
norman_susdat_id: NS00054054
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCCN1C2=CC(=CC=C2N(C1=CC=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)CC)C(F)(F)F
name:
3-ethyl-2-[3-[1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium

inchi:
InChI=1/C32H32F3N3O4S/c1-3-36-26-17-16-25(32(33,34)35)22-27(26)38(19-8-9-20-43(39,40)41)30(36)13-10-14-31-37(4-2)28-21-24(15-18-29(28)42-31)23-11-6-5-7-12-23/h5-7,10-18,21-22H,3-4,8-9,19-20H2,1-2H3


name: Ammonium 9,10-dihydro-9,10-dioxoanthracene-1-sulphonate
cas: 55812-59-4
formula: C14H8O5S.H3N
inchikey: DYEWIYCIFREDCH-UHFFFAOYSA-N
norman_susdat_id: NS00087566
smiles: [NH4+].[O-]S(=O)(=O)c1cccc2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1/C14H8O5S.H3N/c15-13-8-4-1-2-5-9(8)14(16)12-10(13)6-3-7-11(12)20(17,18)19;/h1-7H,(H,17,18,19);1H3


name: Octadecanamide, N-[3-[bis(2-hydroxyethyl)amino]propyl]-
cas: 55819-54-0
chemspiderid: 97813
dtxsid: DTXSID9069057
formula: C25H52N2O3
inchikey: RUBMRRHXTTXPMB-UHFFFAOYSA-N
norman_susdat_id: NS00014107
pubchem_cid: 108774
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO
inchi:
InChI=1S/C25H52N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)26-19-17-20-27(21-23-28)22-24-29/h28-29H,2-24H2,1H3,(H,26,30)


name: (E,E,E)-tris[(3,7-dimethyl-2,6-octadienyl)oxy]methylsilane
cas: 55823-85-3
formula: C31H54O3Si
inchikey: GGROZWRGSRXIJC-YILJOUTGSA-N
norman_susdat_id: NS00054055
pubchem_cid: 3017007
smiles: O(CC=C(C)CCC=C(C)C)C(OCC=C(C)CCC=C(C)C)(OCC=C(C)CCC=C(C)C)[SiH3]
inchi:
InChI=1/C31H54O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9,35H3


name: Butopiprine
cas: 55837-15-5
formula: C19H29NO3
inchikey: MNBLDUWBHRTWEP-UHFFFAOYSA-N
norman_susdat_id: NS00053981
pubchem_cid: 71735
smiles: O=C(OCCOCCCC)C(C=1C=CC=CC1)N2CCCCC2
inchi:
InChI=1/C19H29NO3/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3


name: Halofuginone
cas: 55837-20-2
chemspiderid: NA
dtxsid: DTXSID0048260
formula: C16H17Br1Cl1N3O3
inchikey: LVASCWIMLIKXLA-CABCVRRESA-N
norman_susdat_id: NS00017223
pubchem_cid: 456390
smiles: C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
inchi:
InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1


name: Teflutixol
cas: 55837-23-5
formula: C23H26F4N2OS
inchikey: BJWAPFORUPUXRJ-UHFFFAOYSA-N
norman_susdat_id: NS00054904
pubchem_cid: 68751
smiles: FC1=CC=C2C(SC3=CC=C(C=C3C2CCCN4CCN(CCO)CC4)C(F)(F)F)=C1
inchi:
InChI=1/C23H26F4N2OS/c24-17-4-5-19-18(2-1-7-28-8-10-29(11-9-28)12-13-30)20-14-16(23(25,26)27)3-6-21(20)31-22(19)15-17/h3-6,14-15,18,30H,1-2,7-13H2


name: Buflomedil
cas: 55837-25-7
chebiid: CHEBI:94538
chemspiderid: 2373
dtxsid: DTXSID5022697
formula: C17H25N1O4
inchikey: OWYLAEYXIQKAOL-UHFFFAOYSA-N
norman_susdat_id: NS00000498
pubchem_cid: 2467
smiles: O=C(c1c(OC)cc(OC)cc1OC)CCCN2CCCC2
inchi:
InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3


name: Piretanide
cas: 55837-27-9
chebiid: CHEBI:32015
chemspiderid: 4683
dtxsid: DTXSID2023488
formula: C17H18N2O5S1
inchikey: UJEWTUDSLQGTOA-UHFFFAOYSA-N
norman_susdat_id: NS00004285
pubchem_cid: 4849
smiles: NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc1ccccc1)C(O)=O
inchi:
InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)


name: tiropramide
cas: 55837-29-1
chebiid: CHEBI:135758
chemspiderid: 38541
formula: C28H41N3O3
inchikey: FDBWMYOFXWMGEY-UHFFFAOYSA-N
norman_susdat_id: NS00001825
pubchem_cid: 42262
smiles: CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1
inchi:
InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)


name: D-Glucitol, 4-O-ß-d-galactopyranosyl-, dodecanoate
cas: 55838-75-0
dtxsid: DTXSID70204437
formula: C24H46O12
inchikey: ULOSQDCYHDNKKQ-LAGWMBQBSA-N
norman_susdat_id: NS00054056
pubchem_cid: 6453270
smiles: O=C(OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)CCCCCCCCCCC
inchi:
InChI=1/C24H46O12/c1-2-3-4-5-6-7-8-9-10-11-18(29)34-14-16(28)19(30)23(15(27)12-25)36-24-22(33)21(32)20(31)17(13-26)35-24/h15-17,19-28,30-33H,2-14H2,1H3


name: N~1~-[(1H-Benzimidazol-2-yl)methyl]-N~1~-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
cas: 558447-26-0
chebiid: CHEBI:138865
dtxsid: DTXSID60971247
formula: C21H27N5
inchikey: WVLHHLRVNDMIAR-IBGZPJMESA-N
norman_susdat_id: NS00071960
pubchem_cid: 11256587
smiles: NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
inchi:
InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1


name: Amotriphene
cas: 5585-64-8
chebiid: CHEBI:135648
chemspiderid: 10809
dtxsid: DTXSID60204446
formula: C26H29NO3
inchikey: FRQGJOFRWIILCX-UHFFFAOYSA-N
norman_susdat_id: NS00113977
pubchem_cid: 11283
smiles: COC1=CC=C(C=C1)C(CN(C)C)=C(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1
inchi:
InChI=1S/C26H29NO3/c1-27(2)18-25(19-6-12-22(28-3)13-7-19)26(20-8-14-23(29-4)15-9-20)21-10-16-24(30-5)17-11-21/h6-17H,18H2,1-5H3


name: Oxypendyl
cas: 5585-93-3
chebiid: CHEBI:135565
chemspiderid: 147734
formula: C20H26N4O1S1
inchikey: RUPOLIZWSDDWNJ-UHFFFAOYSA-N
norman_susdat_id: NS00010354
pubchem_cid: 168893
smiles: c1ccc2c(c1)N(c3c(cccn3)S2)CCCN4CCN(CC4)CCO
inchi:
InChI=1S/C20H26N4OS/c25-16-15-23-13-11-22(12-14-23)9-4-10-24-17-5-1-2-6-18(17)26-19-7-3-8-21-20(19)24/h1-3,5-8,25H,4,9-16H2


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium chloride
cas: 55850-01-6
dtxsid: DTXSID40886183
formula: C19H22N3
inchikey: LBIIFZVMMKQPOY-UHFFFAOYSA-M
norman_susdat_id: NS00054057
pubchem_cid: NA
smiles: [Cl-].N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)N(C=3C=CC=CC3)C
inchi:
InChI=1/C19H22N3.ClH/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;/h5-14H,1-4H3;1H/q+1;/p-1


name: 9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-[(4-methoxyphenyl)amino]-
cas: 55851-03-1
chemspiderid: 97818
dtxsid: DTXSID4069058
formula: C21H16N2O5
inchikey: FVDCIMLUEXXHPJ-UHFFFAOYSA-N
norman_susdat_id: NS00033415
pubchem_cid: 108779
smiles: COc1ccc(Nc2c3C(=O)c4c(c(O)ccc4N)C(=O)c3c(O)cc2)cc1
inchi:
InChI=1S/C21H16N2O5/c1-28-11-4-2-10(3-5-11)23-13-7-9-15(25)19-17(13)20(26)16-12(22)6-8-14(24)18(16)21(19)27/h2-9,23-25H,22H2,1H3


name: Octadecanamide, N-[3-(4-morpholinyl)propyl]-
cas: 55852-13-6
chemspiderid: 97819
dtxsid: DTXSID9069059
formula: C25H50N2O2
inchikey: DIHCYFIQOLPTQW-UHFFFAOYSA-N
norman_susdat_id: NS00014113
pubchem_cid: 108780
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1
inchi:
InChI=1S/C25H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h2-24H2,1H3,(H,26,28)


name: 4-[3-(stearoylamino)propyl]morpholinium lactate
cas: 55852-14-7
formula: C25H50N2O2.C3H6O3
inchikey: BFWRTWBSOCPDQX-UHFFFAOYSA-N
norman_susdat_id: NS00086969
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+]1CCOCC1.CC(O)C(=O)[O-]
inchi:
InChI=1/C25H50N2O2.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-2(4)3(5)6/h2-24H2,1H3,(H,26,28);2,4H,1H3,(H,5,6)


name: 12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione phosphate (1:1)
cas: 55852-83-0
formula: C31H39N5O5.H3O4P
inchikey: YVCZHSXMHRDXIC-CWNVUFIVSA-K
norman_susdat_id: NS00087567
inchi:
InChI=1/C31H39N5O5.H3O4P/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);(H3,1,2,3,4)/p-3

smiles:
CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C.[O-]P(=O)([O-])[O-]


name: Sodium cyclopent-2-ene-1-undecanoate
cas: 5587-76-8
dtxsid: DTXSID00971266
formula: C16H28O2
inchikey: PCZFVTPRFQOIND-UHFFFAOYSA-M
norman_susdat_id: NS00043696
pubchem_cid: 110680
smiles: [Na+].O=C([O-])CCCCCCCCCCC1C=CCC1
inchi:
InChI=1/C16H28O2.Na/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15;/h9,12,15H,1-8,10-11,13-14H2,(H,17,18);/q;+1/p-1


name: Ipodic acid
cas: 5587-89-3
chemspiderid: 5051
dtxsid: DTXSID0023167
formula: C12H13I3N2O2
inchikey: YQNFBOJPTAXAKV-UHFFFAOYSA-N
norman_susdat_id: NS00007834
pubchem_cid: 5241
smiles: CN(C)C=Nc1c(I)cc(I)c(CCC(O)=O)c1I
inchi:
InChI=1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)


name: 9,10-Anthracenedione, 1-[[4-([1,1'-biphenyl]-4-ylcarbonyl)phenyl]amino]-
cas: 55879-93-1
chemspiderid: 82993
dtxsid: DTXSID3069063
formula: C33H21N1O3
inchikey: XTWMLXVGQRVEMQ-UHFFFAOYSA-N
norman_susdat_id: NS00033419
pubchem_cid: 91913
smiles: O=C(c1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)c1ccc(cc1)c1ccccc1
inchi:
InChI=1S/C33H21NO3/c35-31(23-15-13-22(14-16-23)21-7-2-1-3-8-21)24-17-19-25(20-18-24)34-29-12-6-11-28-30(29)33(37)27-10-5-4-9-26(27)32(28)36/h1-20,34H


name: Althiazide
cas: 5588-16-9
chebiid: CHEBI:91768
chemspiderid: 2037
dtxsid: DTXSID3045857
formula: C11H14Cl1N3O4S3
inchikey: VGLGVJVUHYTIIU-UHFFFAOYSA-N
norman_susdat_id: NS00005608
pubchem_cid: 2122
smiles: NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl
inchi:
InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)


name: Clodantoin
cas: 5588-20-5
chebiid: CHEBI:135965
formula: C11H17Cl3N2O2S
inchikey: VOGJJBHRUDVEFM-UHFFFAOYSA-N
norman_susdat_id: NS00044815
pubchem_cid: 21782
smiles: O=C1NC(C(=O)N1SC(Cl)(Cl)Cl)C(CC)CCCC
inchi:
InChI=1/C11H17Cl3N2O2S/c1-3-5-6-7(4-2)8-9(17)16(10(18)15-8)19-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,18)


name: 2-piperidinoethyl [1,1'-bicyclohexyl]-1-carboxylate hydrochloride
cas: 5588-25-0
dtxsid: DTXSID00971286
formula: C20H35NO2
inchikey: AQFATCCHOXBYNK-UHFFFAOYSA-N
norman_susdat_id: NS00043718
pubchem_cid: 21788
smiles: Cl.O=C(OCCN1CCCCC1)C2(CCCCC2)C3CCCCC3
inchi:
InChI=1/C20H35NO2.ClH/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18;/h18H,1-17H2;1H


name: Mesoridazine
cas: 5588-33-0
chebiid: CHEBI:6780
chemspiderid: 3936
dtxsid: DTXSID3023265
formula: C21H26N2O1S2
inchikey: SLVMESMUVMCQIY-UHFFFAOYSA-N
norman_susdat_id: NS00001696
pubchem_cid: 4078
smiles: CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O
inchi:
InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3


name: Miocamycin
cas: 55881-07-7
chemspiderid: 16735908
formula: C45H71N1O17
inchikey: GQNZGCARKRHPOH-RQIKCTSVSA-N
norman_susdat_id: NS00011667
pubchem_cid: 5282188
inchi:
InChI=1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1

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


name: o-Trimethylsiloxyhippuric acid, trimethylsilyl ester
cas: 55887-56-4
chemspiderid: 455071
formula: C15H25NO4Si2
inchikey: YWJABPMELDZKDW-UHFFFAOYSA-N
norman_susdat_id: NS00114079
pubchem_cid: 521693
smiles: C[Si](C)(C)OC1=CC=CC=C1C(=O)NCC(=O)O[Si](C)(C)C
inchi:
InChI=1S/C15H25NO4Si2/c1-21(2,3)19-13-10-8-7-9-12(13)15(18)16-11-14(17)20-22(4,5)6/h7-10H,11H2,1-6H3,(H,16,18)


name: beta-Amyrin
cas: 559-70-6
chemspiderid: 196215
formula: C30H50O1
inchikey: JFSHUTJDVKUMTJ-UHFFFAOYSA-N
norman_susdat_id: NS00005001
pubchem_cid: 225689
smiles: CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
inchi:
InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3


name: D:A-Friedooleanan-3-one
cas: 559-74-0
chebiid: CHEBI:5171
formula: C30H50O
inchikey: OFMXGFHWLZPCFL-SVRPQWSVSA-N
norman_susdat_id: NS00043099
pubchem_cid: 91472
smiles: O=C1CCC2C(C)(CCC3C2(C)CCC4(C)C5CC(C)(C)CCC5(C)CCC34C)C1C
inchi:
InChI=1/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3


name: Pigment Yellow 110
cas: 5590-18-1
chemspiderid: 56346
dtxsid: DTXSID4052219
formula: C22H6Cl8N4O2
inchikey: QRFIXNBFUBOBTH-UHFFFAOYSA-N
norman_susdat_id: NS00019469
pubchem_cid: 62584
smiles: Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)N=C2Nc1ccc(NC2=NC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)cc1
inchi:
InChI=1S/C22H6Cl8N4O2/c23-11-7-9(13(25)17(29)15(11)27)21(35)33-19(7)31-5-1-2-6(4-3-5)32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24/h1-4H,(H,31,33,35)(H,32,34,36)


name: 5-oxo-DL-proline, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 55901-20-7
formula: C6H15NO3.C5H7NO3
inchikey: WHDZFABLYCTYDP-HVDRVSQOSA-N
norman_susdat_id: NS00086633
smiles: OCCN(CCO)CCO.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C6H15NO3.C5H7NO3/c8-4-1-7(2-5-9)3-6-10;7-4-2-1-3(6-4)5(8)9/h8-10H,1-6H2;3H,1-2H2,(H,6,7)(H,8,9)


name: 23,24-Dihydrocucurbitacin D (Cucurbitacin R)
cas: 55903-92-9
chebiid: CHEBI:62218
chemspiderid: 180535
formula: C30H46O7
inchikey: ITMUUFDDBRYVNJ-VOKXYEOFSA-N
norman_susdat_id: NS00094067
pubchem_cid: 157100
smiles:
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)CCC(C)(C)O)O)O


name: Clebopride
cas: 55905-53-8
chebiid: CHEBI:92309
chemspiderid: 4925598
dtxsid: DTXSID7022831
formula: C20H24Cl1N3O2
inchikey: BVPWJMCABCPUQY-UHFFFAOYSA-N
norman_susdat_id: NS00033420
pubchem_cid: 2780
smiles: COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1
inchi:
InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)


name: Thiothixene
cas: 5591-45-7
chemspiderid: 819429
dtxsid: DTXSID6023658
formula: C23H29N3O2S2
inchikey: GFBKORZTTCHDGY-UFWORHAWSA-N
norman_susdat_id: NS00004100
pubchem_cid: 941650
smiles: CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=C/CCN3CCN(C)CC3)c2c1
inchi:
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8+


name: Potassium N-((heptadecafluorooctyl)sulphonyl)-N-propylglycinate
cas: 55910-10-6
chemspiderid: 142910
dtxsid: DTXSID60880486
formula: C13H10F17N1O4S1
inchikey: BTZLOWXUIJOJSD-UHFFFAOYSA-N
norman_susdat_id: NS00011424
pubchem_cid: 162786
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)CCC)C([O-])=O.[K+]
inchi:
InChI=1S/C13H10F17NO4S.K/c1-2-3-31(4-5(32)33)36(34,35)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28;/h2-4H2,1H3,(H,32,33);/q;+1/p-1


name: 2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-(methylsulphonyl)-1H-benzimidazolium methyl sulphate
cas: 55911-29-0
dtxsid: DTXSID60971328
formula: C19H20N2O4S
inchikey: NIEVDBCSDMFGRV-UHFFFAOYSA-N
norman_susdat_id: NS00053660
pubchem_cid: 3018546
smiles: O=S(=O)([O-])OC.O=S(=O)(C1=CC=C2C(=C1)N(C)C(C=3OC=4C=C(OC)C=CC4C3)[NH+]2C)C
inchi:
InChI=1/C19H20N2O4S.CH4O4S/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-5-6(2,3)4/h5-11,19H,1-4H3;1H3,(H,2,3,4)


name: Tris(salicylato-O1,O2)chromium
cas: 55917-86-7
formula: C21H15CrO9
inchikey: XGRZWVWRMKAQNU-UHFFFAOYSA-K
norman_susdat_id: NS00086647
smiles: Oc1ccccc1C(=O)O[Cr](OC(=O)c2ccccc2O)OC(=O)c3ccccc3O
inchi:
InChI=1/3C7H6O3.Cr/c3*8-6-4-2-1-3-5(6)7(9)10;/h3*1-4,8H,(H,9,10);/q;;;+3/p-3/rC21H15CrO9/c23-16-10-4-1-7-13(16)19(26)29-22(30-20(27)14-8-2-5-11-17(14)24)31-21(28)15-9-3-6-12-18(15)25/h1-12,23-25H


name: 3-amino-4-[(2-bromophenyl)thio]-N,N-dimethylbenzenesulphonamide
cas: 5592-64-3
dtxsid: DTXSID20971344
formula: C14H15BrN2O2S2
inchikey: YQMIXRUAVHGKTO-UHFFFAOYSA-N
norman_susdat_id: NS00043719
pubchem_cid: 79704
smiles: O=S(=O)(C1=CC=C(SC=2C=CC=CC2Br)C(N)=C1)N(C)C
inchi:
InChI=1/C14H15BrN2O2S2/c1-17(2)21(18,19)10-7-8-14(12(16)9-10)20-13-6-4-3-5-11(13)15/h3-9H,16H2,1-2H3


name: Betamethasone dipropionate
cas: 5593-20-4
chebiid: CHEBI:31276
chemspiderid: 20490
dtxsid: DTXSID2022672
formula: C28H37F1O7
inchikey: CIWBQSYVNNPZIQ-XYWKZLDCSA-N
norman_susdat_id: NS00005151
pubchem_cid: 21800
inchi:
InChI=1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

smiles:
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C


name: Beclobrate
cas: 55937-99-0
chebiid: CHEBI:135463
formula: C20H23ClO3
inchikey: YWQGBCXVCXMSLJ-UHFFFAOYSA-N
norman_susdat_id: NS00053663
pubchem_cid: 51348
smiles: O=C(OCC)C(OC1=CC=C(C=C1)CC2=CC=C(Cl)C=C2)(C)CC
inchi:
InChI=1/C20H23ClO3/c1-4-20(3,19(22)23-5-2)24-18-12-8-16(9-13-18)14-15-6-10-17(21)11-7-15/h6-13H,4-5,14H2,1-3H3


name: 1-ethyl-4-methylquinolinium toluene-p-sulphonate
cas: 55952-56-2
dtxsid: DTXSID7069071
formula: C12H14N
inchikey: IVVQOSKVQMKYEQ-UHFFFAOYSA-M
norman_susdat_id: NS00054966
pubchem_cid: 91959
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.C=1C=CC=2C(C1)=C(C=C[N+]2CC)C
inchi:
InChI=1/C12H14N.C7H8O3S/c1-3-13-9-8-10(2)11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 55954-19-3
chemspiderid: 83035
dtxsid: DTXSID7029376
formula: C24H40N4O4
inchikey: OUXZKCYUOAUYIV-UHFFFAOYNA-N
norman_susdat_id: NS00020841
pubchem_cid: NA
smiles: CC1(C)CC(CC(C)(CNC(=O)N2CCCCCC2=O)C1)NC(=O)N1CCCCCC1=O
name:
1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-

inchi:
InChI=1S/C24H40N4O4/c1-23(2)14-18(26-22(32)28-13-9-5-7-11-20(28)30)15-24(3,16-23)17-25-21(31)27-12-8-4-6-10-19(27)29/h18H,4-17H2,1-3H3,(H,25,31)(H,26,32)/t18-,24+/m0/s1


name: Pseudohypericin
cas: 55954-61-5
chebiid: CHEBI:8605
chemspiderid: 4445065
dtxsid: DTXSID00204541
formula: C30H16O9
inchikey: YXBUQQDFTYOHQI-UHFFFAOYSA-N
norman_susdat_id: NS00094601
pubchem_cid: 5281751
smiles: CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(CO)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12
inchi:
InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3


name: 1,4-Bis(4-aminobenzoyl)piperazine
cas: 55973-70-1
chemspiderid: 83037
dtxsid: DTXSID50204551
formula: C18H20N4O2
inchikey: VZMALRANZODVRJ-UHFFFAOYSA-N
norman_susdat_id: NS00033433
pubchem_cid: 91963
smiles: Nc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(N)cc1
inchi:
InChI=1S/C18H20N4O2/c19-15-5-1-13(2-6-15)17(23)21-9-11-22(12-10-21)18(24)14-3-7-16(20)8-4-14/h1-8H,9-12,19-20H2


name: 3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium chloride
cas: 55973-87-0
dtxsid: DTXSID70971374
formula: C17H20N3O
inchikey: DRANZGSPAAKOPO-UHFFFAOYSA-M
norman_susdat_id: NS00054968
pubchem_cid: NA
smiles: [Cl-].N1=C2C=CC(=CC2=[O+]C3=CC(N)=C(C=C13)C)N(CC)CC
inchi:
InChI=1/C17H20N3O.ClH/c1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;/h6-10H,4-5,18H2,1-3H3;1H/q+1;/p-1


name: Nitazoxanide
cas: 55981-09-4
chebiid: CHEBI:94807
chemspiderid: 38037
dtxsid: DTXSID5033757
formula: C12H9N3O5S1
inchikey: YQNQNVDNTFHQSW-UHFFFAOYSA-N
norman_susdat_id: NS00033434
pubchem_cid: 41684
smiles: CC(=O)Oc1c(cccc1)C(=O)Nc1ncc(s1)[N+](=O)[O-]
inchi:
InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17)


name: Nicardipine
cas: 55985-32-5
chebiid: CHEBI:7550
chemspiderid: 4319
dtxsid: DTXSID6023363
formula: C26H29N3O6
inchikey: ZBBHBTPTTSWHBA-UHFFFAOYSA-N
norman_susdat_id: NS00002168
pubchem_cid: 4474
smiles: COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCN(C)Cc1ccccc1
inchi:
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3


name: Cetaben
cas: 55986-43-1
dtxsid: DTXSID70204558
formula: C23H39NO2
inchikey: QXWKHSSBFQDQPR-UHFFFAOYSA-N
norman_susdat_id: NS00096490
smiles: CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O
inchi:
InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(17-19-22)23(25)26/h16-19,24H,2-15,20H2,1H3,(H,25,26)


cas: 55993-15-2
chemspiderid: 7850534
dtxsid: DTXSID2069074
formula: C25H24N4O7
inchikey: LBTJLLHSDMFUTN-UHFFFAOYSA-N
norman_susdat_id: NS00033437
pubchem_cid: NA
smiles: CCOCCOCCn1c(=O)c2cccc3c2c(c/c(=N/Nc2c(C)cc(cc2)[N+](=O)[O-])/c3=O)c1=O
name:
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(2-ethoxyethoxy)ethyl]-6-hydroxy-5-[(2-methyl-4-nitrophenyl)azo]-

inchi:
InChI=1S/C25H24N4O7/c1-3-35-11-12-36-10-9-28-24(31)18-6-4-5-17-22(18)19(25(28)32)14-21(23(17)30)27-26-20-8-7-16(29(33)34)13-15(20)2/h4-8,13-14,26H,3,9-12H2,1-2H3/b27-21-


name: Benzenesulfonic acid, 3-[(4-amino-3-methylphenyl)azo]-
cas: 55994-13-3
chemspiderid: 83044
dtxsid: DTXSID7069075
formula: C13H13N3O3S1
inchikey: FBUUCZBKPYYEEE-UHFFFAOYSA-N
norman_susdat_id: NS00033442
pubchem_cid: 91972
smiles: Cc1c(N)ccc(c1)N=Nc1cccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C13H13N3O3S/c1-9-7-11(5-6-13(9)14)16-15-10-3-2-4-12(8-10)20(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)/b16-15+


name: Bis(tributyltin) oxide
cas: 56-35-9
chebiid: CHEBI:81543
dtxsid: DTXSID9020166
formula: C24H54OSn2
inchikey: APQHKWPGGHMYKJ-UHFFFAOYSA-N
norman_susdat_id: NS00041358
pubchem_cid: NA
smiles: O([Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;/rC24H54OSn2/c1-7-13-19-26(20-14-8-2,21-15-9-3)25-27(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3


name: Tributyltin acetate
cas: 56-36-0
dtxsid: DTXSID7043954
formula: C12H27Sn
inchikey: PWBHRVGYSMBMIO-UHFFFAOYSA-M
norman_susdat_id: NS00041359
pubchem_cid: 37499
smiles: O=C([O-])C.[Sn+](CCCC)(CCCC)CCCC
inchi:
InChI=1/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1/rC12H27Sn.C2H4O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2(3)4/h4-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: Deoxycorticosterone acetate
cas: 56-47-3
chebiid: CHEBI:34671
chemspiderid: 5737
dtxsid: DTXSID6022894
formula: C23H32O4
inchikey: VPGRYOFKCNULNK-ACXQXYJUSA-N
norman_susdat_id: NS00015396
pubchem_cid: 5952
smiles: CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1


name: 3-Methylcholanthrene
cas: 56-49-5
chebiid: CHEBI:34342
chemspiderid: 1611
dtxsid: DTXSID0020862
formula: C21H16
inchikey: PPQNQXQZIWHJRB-UHFFFAOYSA-N
norman_susdat_id: NS00003136
pubchem_cid: 1674
smiles: Cc1ccc2cc3c(ccc4ccccc34)c3CCc1c23
inchi:
InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3


name: Diethylstilbestrol
cas: 56-53-1
chebiid: CHEBI:41922
chemspiderid: 395306
dtxsid: DTXSID3020465
formula: C18H20O2
inchikey: RGLYKWWBQGJZGM-ISLYRVAYSA-N
norman_susdat_id: NS00010902
pubchem_cid: 448537
smiles: CCC(=C(CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
inchi:
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+


name: Quinidine
cas: 56-54-2
chebiid: CHEBI:28593
chemspiderid: 389880
dtxsid: DTXSID4023549
formula: C20H24N2O2
inchikey: LOUPRKONTZGTKE-LHHVKLHASA-N
norman_susdat_id: NS00098768
pubchem_cid: 441074
smiles: COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
inchi:
InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1


name: Felypressin
cas: 56-59-7
chebiid: CHEBI:60564
chemspiderid: 16736539
dtxsid: DTXSID6048599
formula: C46H65N13O11S2
inchikey: SFKQVVDKFKYTNA-DZCXQCEKSA-N
norman_susdat_id: NS00033543
pubchem_cid: 14257662
inchi:
InChI=1S/C46H65N13O11S2/c47-18-8-7-14-29(40(64)52-23-38(51)62)54-45(69)35-15-9-19-59(35)46(70)34-25-72-71-24-28(48)39(63)55-31(20-26-10-3-1-4-11-26)43(67)56-32(21-27-12-5-2-6-13-27)42(66)53-30(16-17-36(49)60)41(65)57-33(22-37(50)61)44(68)58-34/h1-6,10-13,28-35H,7-9,14-25,47-48H2,(H2,49,60)(H2,50,61)(H2,51,62)(H,52,64)(H,53,66)(H,54,69)(H,55,63)(H,56,67)(H,57,65)(H,58,68)/t28-,29+,30+,31-,32+,33+,34+,35+/m1/s1

smiles:
NCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)N1)C(=O)NCC(=O)N


name: Adenosine triphosphate
cas: 56-65-5
chemspiderid: 21230429
dtxsid: DTXSID6022559
formula: C10H16N5O13P3
inchikey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N
norman_susdat_id: NS00013346
pubchem_cid: 238
smiles: Nc1ncnc2n(cnc12)C3OC(CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C(O)C3O
inchi:
InChI=1S/C10H16N5O13P3/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)


name: Coumaphos
cas: 56-72-4
chebiid: CHEBI:3903
chemspiderid: 2768
dtxsid: DTXSID2020347
formula: C14H16Cl1O5P1S1
inchikey: BXNANOICGRISHX-UHFFFAOYSA-N
norman_susdat_id: NS00009821
pubchem_cid: 2871
smiles: CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
eea_notation: CAS_56-72-4
inchi:
InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3


name: Glucose 6-phosphate
cas: 56-73-5
chebiid: CHEBI:4170
chemspiderid: 388417
dtxsid: DTXSID10889328
formula: C6H13O9P1
inchikey: NBSCHQHZLSJFNQ-GASJEMHNSA-N
norman_susdat_id: NS00015226
pubchem_cid: 5958
smiles: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
inchi:
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1


name: Chloramphenicol
cas: 56-75-7
chebiid: CHEBI:17698
chemspiderid: 5744
dtxsid: DTXSID7020265
formula: C11H12Cl2N2O5
inchikey: WIIZWVCIJKGZOK-RKDXNWHRSA-N
norman_susdat_id: NS00000500
pubchem_cid: 5959
smiles: c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
inchi:
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1


name: cystine
cas: 56-89-3
chebiid: CHEBI:35491
chemspiderid: 60997
formula: C6H12N2O4S2
inchikey: LEVWYRKDKASIDU-IMJSIDKUSA-N
norman_susdat_id: NS00007403
pubchem_cid: 67678
smiles: N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O
inchi:
InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1


name: demecarium
cas: 56-94-0
chebiid: CHEBI:59719
chemspiderid: 5751
formula: C32H52N4O4
inchikey: RWZVPVOZTJJMNU-UHFFFAOYSA-N
norman_susdat_id: NS00001966
pubchem_cid: 5966
smiles: CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C
inchi:
InChI=1S/C32H52N4O4/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8/h17-22,25-26H,9-16,23-24H2,1-8H3/q+2


name: Chlorhexidine di(acetate)
cas: 56-95-1
chebiid: CHEBI:81711
formula: C22H30Cl2N10.2C2H4O2
inchikey: WDRFFJWBUDTUCA-UHFFFAOYSA-N
norman_susdat_id: NS00078947
smiles: CC(=O)O.CC(=O)O.Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
inchi:
InChI=1/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)


name: Trimedoxime bromide
cas: 56-97-3
formula: C15H18N4O2
inchikey: JHZHWVQTOXIXIV-UHFFFAOYSA-N
norman_susdat_id: NS00041185
pubchem_cid: NA
smiles: [Br-].[Br-].ON=CC1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=NO)C=C2
inchi:
InChI=1/C15H16N4O2.2BrH/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h2-5,8-13H,1,6-7H2;2*1H


name: 3ß-[(2,6-dideoxy-3-O-methyl-D-arabino-hexopyranosyl)oxy]-14ß,21-epoxy-2ß-hydroxypregn-5-en-19-al
cas: 560-52-1
formula: C28H42O7
inchikey: DGKMUONTFGAQQH-INYBEGEPSA-N
norman_susdat_id: NS00043100
pubchem_cid: 101323775
smiles: O=CC12C(=CCC3C1CCC4(C)C5CCOC34CC5)CC(OC6OC(C)C(O)C(OC)C6)C(O)C2
inchi:
InChI=1/C28H42O7/c1-16-25(31)23(32-3)13-24(34-16)35-22-12-18-4-5-20-19(27(18,15-29)14-21(22)30)7-9-26(2)17-6-10-28(20,26)33-11-8-17/h4,15-17,19-25,30-31H,5-14H2,1-3H3


cas: 560-53-2
dtxsid: DTXSID00971387
formula: C36H54O14
inchikey: ZBOYSQIROMNJAX-UHFFFAOYSA-N
norman_susdat_id: NS00044153
pubchem_cid: 57502120
smiles: O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3)CC2C(O)CC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O
name:
(3ß,5ß)-3-[(2,6-dideoxy-4-O-ß-D-glucopyranosyl-3-O-methyl-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

inchi:
InChI=1/C36H54O14/c1-17-32(50-33-31(43)30(42)29(41)26(14-37)49-33)25(45-3)13-28(47-17)48-19-4-8-35(16-38)21-5-7-34(2)20(18-10-27(40)46-15-18)6-9-36(34,44)22(21)12-24(39)23(35)11-19/h10,16-17,19-26,28-33,37,39,41-44H,4-9,11-15H2,1-3H3


name: (3ß,5ß)-3,5,14,19-tetrahydroxycard-20(22)-enolide
cas: 560-54-3
formula: C23H34O6
inchikey: ZNDMLUUNNNHNKC-HZXDTFASSA-N
norman_susdat_id: NS00042339
pubchem_cid: 258412
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(O)CCC5(CO)C4CCC23C
inchi:
InChI=1/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3


name: Androst-4-ene-3,17-dione, 9-hydroxy-
cas: 560-62-3
chemspiderid: 141059
formula: C19H26O3
inchikey: SNMVJSSWZSJOGL-DUUFSRSUSA-N
norman_susdat_id: NS00007719
pubchem_cid: 160526
smiles: C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O3/c1-17-9-10-19(22)15(14(17)5-6-16(17)21)4-3-12-11-13(20)7-8-18(12,19)2/h11,14-15,22H,3-10H2,1-2H3/t14-,15-,17-,18-,19?/m0/s1


name: Endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl salicylate
cas: 560-88-3
formula: C17H22O3
inchikey: GAZVSNAEUUUDEK-FABXCBLPSA-N
norman_susdat_id: NS00043290
pubchem_cid: 21117240
smiles: O=C(OC1CC2CCC1(C)C2(C)C)C=3C=CC=CC3O
inchi:
InChI=1/C17H22O3/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(19)12-6-4-5-7-13(12)18/h4-7,11,14,18H,8-10H2,1-3H3


name: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 1-aminopropan-2-ol (1:1)
cas: 5600-19-1
formula: C7H8N4O2.C3H9NO
inchikey: QFJDTNNSYMKICD-UHFFFAOYSA-N
norman_susdat_id: NS00080907
smiles: CC(O)CN.CN1C(=O)N(C)c2[nH]cnc2C1=O
inchi:
InChI=1/C7H8N4O2.C3H9NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-3(5)2-4/h3H,1-2H3,(H,8,9);3,5H,2,4H2,1H3


name: 2-Oxetanone, 4-(8Z)-8-heptadecenylidene-3-(7Z)-7-hexadecenyl-
cas: 56000-16-9
chemspiderid: 17215672
dtxsid: DTXSID5029764
formula: C36H64O2
inchikey: NTLJTEOZVLQFPY-CLFAGFIQNA-N
norman_susdat_id: NS00019569
pubchem_cid: NA
smiles: CCCCCCCCC=CCCCCCCC=C1OC(=O)C1CCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C36H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34(36(37)38-35)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,33-34H,3-16,21-32H2,1-2H3/b19-17+,20-18+,35-33+/t34-/m0/s1


name: (s-(Z))-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol Ethanoate.
cas: 56001-43-5
chemspiderid: 4512567
formula: C17H28O2
inchikey: PRNJXUQTUSFYLV-QINSGFPZSA-N
norman_susdat_id: NS00013021
pubchem_cid: 5357157
smiles: CC(C)=CCCC(C)=C/CC[C@](C)(OC(C)=O)C=C
inchi:
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12-/t17-/m1/s1


name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-(4-methylpiperazin-1-yl)heptan-1-one
cas: 560092-29-7
dtxsid: DTXSID50896177
formula: C12H11F13N2O
inchikey: NALAEANMNNNTHF-UHFFFAOYSA-N
norman_susdat_id: NS00110768
smiles: CN1CCN(CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H11F13N2O/c1-26-2-4-27(5-3-26)6(28)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2-5H2,1H3


name: CI 18690
cas: 5601-29-6
chemspiderid: 4648261
formula: C17H14N4O3
inchikey: BPXUORFDPOHLBM-JSAVKQRWSA-N
norman_susdat_id: NS00013485
pubchem_cid: NA
inchi:
InChI=1S/2C17H14N4O3.Cr/c2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2*2-10,23-24H,1H3;/q;;+3/p-3

smiles:
[Cr+3]|1|2|3|4(|[O-]C(=C5C=CC=CC5=N|1N=C6C(=NN(c7ccccc7)C6=O|2)C)[O-])|[O-]C(=C8C=CC=CC8=N|3N=C9C(=NN(c%10ccccc%10)C9=O|4)C)[O-].[H+]


name: Cyenopyrafen
cas: 560121-52-0
chemspiderid: 9649703
dtxsid: DTXSID7058127
formula: C24H31N3O2
inchikey: APJLTUBHYCOZJI-UHFFFAOYSA-N
norman_susdat_id: NS00007022
pubchem_cid: 66781246
smiles: Cc1nn(C)c(C(OC(=O)C(C)(C)C)=C(C#N)c2ccc(cc2)C(C)(C)C)c1C
inchi:
InChI=1S/C24H31N3O2/c1-15-16(2)26-27(9)20(15)21(29-22(28)24(6,7)8)19(14-25)17-10-12-18(13-11-17)23(3,4)5/h10-13H,1-9H3


name: (E)-3-hydroxy-5-methoxy-4,4-dimethyl-2-(1-oxo-3-phenylpropen-2-yl)cyclohexa-2,5-dien-1-one
cas: 56015-03-3
formula: C18H18O4
inchikey: YYYYBQYXVYDKSR-UHFFFAOYSA-N
norman_susdat_id: NS00054106
pubchem_cid: NA
smiles: O=C=C(C=1C(=O)C=C(OC)C(C1O)(C)C)CC=2C=CC=CC2
inchi:
InChI=1/C18H18O4/c1-18(2)15(22-3)10-14(20)16(17(18)21)13(11-19)9-12-7-5-4-6-8-12/h4-8,10,21H,9H2,1-3H3


name: Ethyltrioctylphosphonium bromide
cas: 56022-37-8
dtxsid: DTXSID30886192
formula: C26H56P
inchikey: TUDUDQJRUPFUMA-UHFFFAOYSA-M
norman_susdat_id: NS00054107
pubchem_cid: 91981
smiles: [Br-].CCCCCCCC[P+](CC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C26H56P.BrH/c1-5-9-12-15-18-21-24-27(8-4,25-22-19-16-13-10-6-2)26-23-20-17-14-11-7-3;/h5-26H2,1-4H3;1H/q+1;/p-1


name: Sufentanil
cas: 56030-54-7
chebiid: CHEBI:9316
chemspiderid: 38043
dtxsid: DTXSID6023604
formula: C22H30N2O2S1
inchikey: GGCSSNBKKAUURC-UHFFFAOYSA-N
norman_susdat_id: NS00001569
pubchem_cid: 41693
smiles: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
inchi:
InChI=1S/C22H30N2O2S/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20/h4-10,17H,3,11-16,18H2,1-2H3


name: Sucralose
cas: 56038-13-2
chebiid: CHEBI:32159
chemspiderid: 4243140
dtxsid: DTXSID1040245
formula: C12H19Cl3O8
inchikey: BAQAVOSOZGMPRM-QBMZZYIRSA-N
norman_susdat_id: NS00000320
pubchem_cid: 71485
smiles: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CCl)O)O)CCl)O)O)Cl)O
inchi:
InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1


name: BENZYLIDENE CAMPHOR SULFONIC ACID
cas: 56039-58-8
chemspiderid: 5005509
formula: C17H20O4S1
inchikey: KKJKXQYVUVWWJP-RAXLEYEMSA-N
norman_susdat_id: NS00013406
pubchem_cid: 6505726
smiles: CC1(C)C2CCC1(C)C(=O)C2=Cc3ccc(cc3)[S](O)(=O)=O
inchi:
InChI=1S/C17H20O4S/c1-16(2)14-8-9-17(16,3)15(18)13(14)10-11-4-6-12(7-5-11)22(19,20)21/h4-7,10,14H,8-9H2,1-3H3,(H,19,20,21)/b13-10-


name: N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide dihydrogen phosphate
cas: 56046-61-8
formula: C12H21N3O2S.H3O4P
inchikey: VVJXMKISHKLVFK-UHFFFAOYSA-N
norman_susdat_id: NS00086701
smiles: CCN(CCNS(=O)(=O)C)c1ccc(N)c(C)c1.OP(=O)(O)O
inchi:
InChI=1/C12H21N3O2S.H3O4P/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;(H3,1,2,3,4)


name: 2-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxobutyramide
cas: 56046-83-4
dtxsid: DTXSID50886194
formula: C17H13Cl2N5O3
inchikey: UTLKRMVLIRAYFN-UHFFFAOYSA-N
norman_susdat_id: NS00054146
pubchem_cid: 91989
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C(N=NC3=CC(Cl)=CC=C3Cl)C(=O)C
inchi:
InChI=1/C17H13Cl2N5O3/c1-8(25)15(24-23-13-6-9(18)2-4-11(13)19)16(26)20-10-3-5-12-14(7-10)22-17(27)21-12/h2-7,15H,1H3,(H,20,26)(H2,21,22,27)


name: 3,6-dichloro-9-(2-sulphonatophenyl)xanthylium
cas: 56046-85-6
formula: C19H11Cl2O4S
inchikey: IMJDRXFXXHAZNX-UHFFFAOYSA-M
norman_susdat_id: NS00053727
pubchem_cid: NA
smiles: O=S(=O)([O-])C=1C=CC=CC1C=2C=3C=CC(Cl)=CC3[O+]=C4C=C(Cl)C=CC42
inchi:
InChI=1/C19H10Cl2O4S/c20-11-5-7-13-16(9-11)25-17-10-12(21)6-8-14(17)19(13)15-3-1-2-4-18(15)26(22,23)24/h1-10H


name: Tris(lauroyloxy)octylstannane
cas: 56046-99-2
formula: C44H86O6Sn
inchikey: ZCVZSTMWOQNVHQ-UHFFFAOYSA-K
norman_susdat_id: NS00054110
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/3C12H24O2.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-8-6-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-8H2,2H3;/q;;;;+3/p-3/rC44H86O6Sn/c1-5-9-13-17-21-24-27-30-34-38-42(45)48-51(41-37-33-20-16-12-8-4,49-43(46)39-35-31-28-25-22-18-14-10-6-2)50-44(47)40-36-32-29-26-23-19-15-11-7-3/h5-41H2,1-4H3


name: Ammonium 2-[2-[2-(hexadecyloxy)ethoxy]ethoxy]ethyl sulphate
cas: 56049-85-5
formula: C22H46O7S
inchikey: PHXSEUBFRVSZFW-UHFFFAOYSA-N
norman_susdat_id: NS00054147
pubchem_cid: 91995
smiles: O=S(=O)([O-])OCCOCCOCCOCCCCCCCCCCCCCCCC.[NH4+]
inchi:
InChI=1/C22H46O7S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17-18-27-19-20-28-21-22-29-30(23,24)25;/h2-22H2,1H3,(H,23,24,25);1H3


name: [(6,7-dichloro-2,3-dihydro-2-methyl-1-oxo-2-phenyl-1H-inden-5-yl)oxy]acetic acid
cas: 56049-88-8
formula: C18H14Cl2O4
inchikey: PRKWVSHZYDOZLP-UHFFFAOYSA-N
norman_susdat_id: NS00087074
smiles: CC1(Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O)c3ccccc3
inchi:
InChI=1/C18H14Cl2O4/c1-18(11-5-3-2-4-6-11)8-10-7-12(24-9-13(21)22)15(19)16(20)14(10)17(18)23/h2-7H,8-9H2,1H3,(H,21,22)


name: Ethyl 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
cas: 5606-55-3
dtxsid: DTXSID70971435
formula: C18H15ClN2O3
inchikey: DTKOQJNQMOCKQU-UHFFFAOYSA-N
norman_susdat_id: NS00044452
pubchem_cid: 110682
smiles: O=C(OCC)C1N=C(C=2C=CC=CC2)C=3C=C(Cl)C=CC3NC1=O
inchi:
InChI=1/C18H15ClN2O3/c1-2-24-18(23)16-17(22)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,22)


name: Difenacoum
cas: 56073-07-5
chebiid: CHEBI:80743
chemspiderid: 10469075
dtxsid: DTXSID2058128
formula: C31H24O3
inchikey: FVQITOLOYMWVFU-UHFFFAOYSA-N
norman_susdat_id: NS00015683
pubchem_cid: 54676884
smiles: C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6
inchi:
InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2


name: Brodifacoum
cas: 56073-10-0
chebiid: CHEBI:81892
chemspiderid: 38082
dtxsid: DTXSID5032529
formula: C31H23Br1O3
inchikey: VEUZZDOCACZPRY-UHFFFAOYSA-N
norman_susdat_id: NS00015497
pubchem_cid: 54680676
smiles: C1C(CC2=CC=CC=C2C1C3=C(C4=CC=CC=C4OC3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br
inchi:
InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2


name: 4-(acetylamino)-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
cas: 5608-13-9
dtxsid: DTXSID90204636
formula: C16H24ClN3O3
inchikey: CUDFIXBYMDJBQT-UHFFFAOYSA-N
norman_susdat_id: NS00044453
pubchem_cid: 79714
smiles: O=C(NCCN(CC)CC)C1=CC(Cl)=C(C=C1OC)NC(=O)C
inchi:
InChI=1/C16H24ClN3O3/c1-5-20(6-2)8-7-18-16(22)12-9-13(17)14(19-11(3)21)10-15(12)23-4/h9-10H,5-8H2,1-4H3,(H,18,22)(H,19,21)


name: Ionomycin
cas: 56092-81-0
chebiid: CHEBI:63954
chemspiderid: 5288579
dtxsid: DTXSID2040521
formula: C41H72O9
inchikey: PGHMRUGBZOYCAA-ADZNBVRBSA-N
norman_susdat_id: NS00011830
pubchem_cid: 6912226
inchi:
InChI=1S/C41H72O9/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47)/b13-11+,34-24-/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+/m1/s1

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


name: (Z)-but-1-enyldiethylaluminium
cas: 56095-71-7
formula: C8H17Al
inchikey: FJUIOMXPUOHENF-UHFFFAOYSA-N
norman_susdat_id: NS00087409
smiles: CC\C=C/[Al](CC)CC
inchi:
InChI=1/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;/rC8H17Al/c1-4-7-8-9(5-2)6-3/h7-8H,4-6H2,1-3H3


name: (Z)-dibutylhex-1-enylaluminium
cas: 56095-72-8
formula: C14H29Al
inchikey: FDCATGDAOJTAKH-UHFFFAOYSA-N
norman_susdat_id: NS00087410
smiles: CCCC\C=C/[Al](CCCC)CCCC
inchi:
InChI=1/C6H11.2C4H9.Al/c1-3-5-6-4-2;2*1-3-4-2;/h1,3H,4-6H2,2H3;2*1,3-4H2,2H3;/rC14H29Al/c1-4-7-10-11-14-15(12-8-5-2)13-9-6-3/h11,14H,4-10,12-13H2,1-3H3


name: (Z)-diisobutyl(4-methylpent-1-enyl)aluminium
cas: 56095-73-9
formula: C14H29Al
inchikey: WPIPUXPRJZVKFN-UHFFFAOYSA-N
norman_susdat_id: NS00088127
smiles: CC(C)C\C=C/[Al](CC(C)C)CC(C)C
inchi:
InChI=1/C6H11.2C4H9.Al/c1-4-5-6(2)3;2*1-4(2)3;/h1,4,6H,5H2,2-3H3;2*4H,1H2,2-3H3;/rC14H29Al/c1-12(2)8-7-9-15(10-13(3)4)11-14(5)6/h7,9,12-14H,8,10-11H2,1-6H3


name: (Z)-dihexyloct-1-enylaluminium
cas: 56095-74-0
formula: C20H41Al
inchikey: KQDXBDSBTFZXIN-UHFFFAOYSA-N
norman_susdat_id: NS00087675
smiles: CCCCCC\C=C/[Al](CCCCCC)CCCCCC
inchi:
InChI=1/C8H15.2C6H13.Al/c1-3-5-7-8-6-4-2;2*1-3-5-6-4-2;/h1,3H,4-8H2,2H3;2*1,3-6H2,2H3;/rC20H41Al/c1-4-7-10-13-14-17-20-21(18-15-11-8-5-2)19-16-12-9-6-3/h17,20H,4-16,18-19H2,1-3H3


name: Delphinine
cas: 561-07-9
chebiid: CHEBI:4384
dtxsid: DTXSID50971478
formula: C33H45NO9
inchikey: REVYTWNGZDPRKE-UWZYQZSNSA-N
norman_susdat_id: NS00043291
pubchem_cid: 441726
smiles: O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6)C=7C=CC=CC7
inchi:
InChI=1/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3


cas: 561-20-6
chemspiderid: 191828
dtxsid: DTXSID00889352
formula: C21H21N3O7
inchikey: IVEMPCACOMNRGI-UHFFFAOYSA-N
norman_susdat_id: NS00007561
pubchem_cid: 221125
smiles: OC(=O)CC1OCC=C2CN3CCC45C3CC2C1C4NC1=C(C(=O)C(=O)C=C51)[N+]([O-])=O
name:
17-Norcuran-16-propanoic acid, 19,20-didehydro-.beta.,18-epoxy-10,11-dihydro-12-nitro-10,11-dioxo-, (.beta.S,16.beta.)-

inchi:
InChI=1S/C21H21N3O7/c25-12-6-11-17(18(19(12)28)24(29)30)22-20-16-10-5-14-21(11,20)2-3-23(14)8-9(10)1-4-31-13(16)7-15(26)27/h1,6,10,13-14,16,20,22H,2-5,7-8H2,(H,26,27)


name: Dihydrothebaine
cas: 561-25-1
chemspiderid: 4588989
dtxsid: DTXSID40204641
formula: C19H23N1O3
inchikey: XJZOLKDBHJPTAT-ATNYCFDYSA-N
norman_susdat_id: NS00033459
pubchem_cid: 5486617
smiles: COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5
inchi:
InChI=1S/C19H23NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4,6-7,12-13,18H,5,8-10H2,1-3H3/t12-,13+,18-,19-/m0/s1


name: 3,6-Diacetylmorphine
cas: 561-27-3
chebiid: CHEBI:27808
chemspiderid: 4575379
dtxsid: DTXSID6046761
formula: C21H23N1O5
inchikey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
norman_susdat_id: NS00000040
pubchem_cid: 5462328
smiles: CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C
inchi:
InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1


name: 4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol
cas: 561-41-1
chemspiderid: 61697
dtxsid: DTXSID00204642
formula: C24H29N3O1
inchikey: MAGJOSJRYKEYAZ-UHFFFAOYSA-N
norman_susdat_id: NS00008275
pubchem_cid: 68414
smiles: CNc1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3


name: Oxypyrronium bromide
cas: 561-43-3
dtxsid: DTXSID20971480
formula: C21H32NO3
inchikey: SXGOKQARVJHRML-UHFFFAOYSA-M
norman_susdat_id: NS00043292
pubchem_cid: 71507
smiles: [Br-].O=C(OCC1CCC[N+]1(C)C)C(O)(C=2C=CC=CC2)C3CCCCC3
inchi:
InChI=1/C21H32NO3.BrH/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-19,24H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1


name: Icterogenin
cas: 561-47-7
chemspiderid: 20056052
formula: C35H52O6
inchikey: NZQARWYKOBSGNY-XKOUXHTLSA-N
norman_susdat_id: NS00094031
pubchem_cid: 16738011
smiles:
C/C=C(/C)C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C


name: Norpipanone [INN:BAN:DCF]
cas: 561-48-8
chebiid: CHEBI:135425
chemspiderid: 21015
dtxsid: DTXSID60204643
formula: C23H29N1O1
inchikey: WCDSHELZWCOTMI-UHFFFAOYSA-N
norman_susdat_id: NS00033466
pubchem_cid: 22391
smiles: CCC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H29NO/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3


name: 11ß,18,21-trihydroxypregn-4-ene-3,20-dione
cas: 561-65-9
chebiid: CHEBI:16485
dtxsid: DTXSID80897516
formula: C21H30O5
inchikey: HFSXHZZDNDGLQN-ZVIOFETBSA-N
norman_susdat_id: NS00042786
pubchem_cid: 11222
smiles: O=C1C=C2CCC3C4CCC(C(=O)CO)C4(CO)CC(O)C3C2(C)CC1
inchi:
InChI=1/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3


name: Dihexyverine
cas: 561-77-3
chebiid: CHEBI:135367
chemspiderid: 20478
dtxsid: DTXSID80204645
formula: C20H35NO2
inchikey: MNSQDVCVWNXBFQ-UHFFFAOYSA-N
norman_susdat_id: NS00114017
pubchem_cid: 21788
smiles: O=C(OCCN1CCCCC1)C1(CCCCC1)C1CCCCC1
inchi:
InChI=1S/C20H35NO2/c22-19(23-17-16-21-14-8-3-9-15-21)20(12-6-2-7-13-20)18-10-4-1-5-11-18/h18H,1-17H2


name: Nealbarbital
cas: 561-83-1
chebiid: CHEBI:134970
formula: C12H18N2O3
inchikey: YHKPTICJRUESOY-UHFFFAOYSA-N
norman_susdat_id: NS00042787
pubchem_cid: 521716
smiles: O=C1NC(=O)C(C(=O)N1)(CC=C)CC(C)(C)C
inchi:
InChI=1/C12H18N2O3/c1-5-6-12(7-11(2,3)4)8(15)13-10(17)14-9(12)16/h5H,1,6-7H2,2-4H3,(H2,13,14,15,16,17)


name: Ergosine
cas: 561-94-4
chebiid: CHEBI:4823
formula: C30H37N5O5
inchikey: NESVMZOPWPCFAU-ZPRCMDFASA-N
norman_susdat_id: NS00080296
inchi:
InChI=1/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)

smiles:
CC(C)C[C@@H]1N2C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)O[C@@]2(O)[C@@H]7CCCN7C1=O


name: Acid Black 52
cas: 5610-64-0
chemspiderid: 4508245
dtxsid: DTXSID40873917
formula: C20H13N3O7S1
inchikey: RJQAEIYLEJDFOK-UHFFFAOYSA-M
norman_susdat_id: NS00010226
pubchem_cid: 7156935
smiles: Oc1ccc2ccccc2c1NN=C1C(=O)C=C(c2cc(ccc12)[N+]([O-])=O)S([O-])(=O)=O
inchi:
InChI=1S/C20H13N3O7S/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30/h1-10,21,24H,(H,28,29,30)/p-1


name: 4-benzoylbenzene-1,2,3-triyl tris(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 5610-94-6
formula: C43H25N6O13S3
inchikey: IYBMFZHGMIRLPI-UHFFFAOYSA-N
norman_susdat_id: NS00044884
pubchem_cid: 79715
inchi:
InChI=1/C43H22N6O13S3/c44-47-31-19-15-24-27(39(31)51)9-4-12-35(24)63(54,55)60-34-22-18-30(38(50)23-7-2-1-3-8-23)42(61-64(56,57)36-13-5-10-28-25(36)16-20-32(48-45)40(28)52)43(34)62-65(58,59)37-14-6-11-29-26(37)17-21-33(49-46)41(29)53/h1-22H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(C(=O)C=4C=CC=CC4)C(OS(=O)(=O)C=5C=CC=C6C(=O)C(=[N+]=[N-])C=CC65)=C3OS(=O)(=O)C=7C=CC=C8C(=O)C(=[N+]=[N-])C=CC87)C1=O


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium perchlorate
cas: 56109-48-9
formula: C15H16N3S.ClO4
inchikey: YSQGHGZCLOKQGG-UHFFFAOYSA-M
norman_susdat_id: NS00087684
smiles: CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C15H16N3S.ClHO4/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;2-1(3,4)5/h4-9,16H,1-3H3;(H,2,3,4,5)/q+1;/p-1


name: Triamcinolone hexacetonide
cas: 5611-51-8
chebiid: CHEBI:9670
chemspiderid: 20516
dtxsid: DTXSID0048634
formula: C30H41F1O7
inchikey: TZIZWYVVGLXXFV-FLRHRWPCSA-N
norman_susdat_id: NS00004498
pubchem_cid: 21826
inchi:
InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1

smiles:
CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C


name: Dipotassium 1,5-dihydroxy-9,10-dihydro-4,8-dinitro-9,10-dioxoanthracene-2,6-disulphonate
cas: 56113-23-6
formula: C14H6N2O14S2.2K
inchikey: VNOPUEBGKMTYRS-UHFFFAOYSA-L
norman_susdat_id: NS00088128
smiles: [K+].[K+].Oc1c2C(=O)c3c(C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])c(O)c(cc3[N+](=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H6N2O14S2.2K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)8-4(16(23)24)2-6(32(28,29)30)12(18)10(8)13(7)19;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Dipotassium 9,10-dihydro-1,8-dihydroxy-4,5-dinitro-9,10-dioxoanthracene-2,7-disulphonate
cas: 56113-24-7
formula: C14H6N2O14S2.2K
inchikey: ZKCBTQXLFZCRAA-UHFFFAOYSA-L
norman_susdat_id: NS00087646
smiles: [K+].[K+].Oc1c2C(=O)c3c(O)c(cc(c3C(=O)c2c(cc1S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C14H6N2O14S2.2K/c17-11-5(31(25,26)27)1-3(15(21)22)7-9(11)14(20)10-8(13(7)19)4(16(23)24)2-6(12(10)18)32(28,29)30;;/h1-2,17-18H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Calcium bis[N-(4-chlorobenzoyl)-L-tryptophanate]
cas: 56116-62-2
dtxsid: DTXSID80204660
formula: C18H15ClN2O3
inchikey: BTTZKEFKFLGNEC-WUBQCMAVSA-L
norman_susdat_id: NS00054626
pubchem_cid: 2787526
inchi:
InChI=1/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2

smiles:
[Ca+2].O=C([O-])C(NC(=O)C1=CC=C(Cl)C=C1)CC2=CNC=3C=CC=CC32.O=C([O-])C(NC(=O)C1=CC=C(Cl)C=C1)CC2=CNC=3C=CC=CC32


name: Sodium N-(4-chlorobenzoyl)-L-tryptophanate
cas: 56116-64-4
formula: C18H15ClN2O3.Na
inchikey: OFGMOCGAPXFVHA-NTISSMGPSA-M
norman_susdat_id: NS00088129
smiles: [Na+].[O-]C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc(Cl)cc3
inchi:
InChI=1/C18H15ClN2O3.Na/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;+1/p-1


name: Aurantiamide acetate
cas: 56121-42-7
chemspiderid: 8202057
dtxsid: DTXSID00893272
formula: C27H28N2O4
inchikey: VZPAURMDJZOGHU-SKCDSABHSA-N
norman_susdat_id: NS00094928
pubchem_cid: 124319
smiles: CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
inchi:
InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25?/m0/s1


name: Valrubicin
cas: 56124-62-0
chebiid: CHEBI:135876
dtxsid: DTXSID9046497
formula: C34H36F3NO13
inchikey: ZOCKGBMQLCSHFP-KQRAQHLDSA-N
norman_susdat_id: NS00072615
pubchem_cid: 454216
inchi:
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1

smiles:
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O


name: 2,5-dichloro-4-[[4-(diethylamino)-o-tolyl]azo]benzenesulphonic acid
cas: 56125-08-7
formula: C17H19Cl2N3O3S
inchikey: IYXNKPQTBLXSBW-UHFFFAOYSA-N
norman_susdat_id: NS00055007
pubchem_cid: 92016
smiles: O=S(=O)(O)C=1C=C(Cl)C(N=NC2=CC=C(C=C2C)N(CC)CC)=CC1Cl
inchi:
InChI=1/C17H19Cl2N3O3S/c1-4-22(5-2)12-6-7-15(11(3)8-12)20-21-16-9-14(19)17(10-13(16)18)26(23,24)25/h6-10H,4-5H2,1-3H3,(H,23,24,25)


name: Methyl 5-amino-3,5-dideoxy-D-glycero-ß-D-galacto-2-nonulopyranosidonic acid
cas: 56144-08-2
formula: C10H19NO8
inchikey: IYHGZZNJIUXINO-UHFFFAOYSA-N
norman_susdat_id: NS00055083
pubchem_cid: 92024
smiles: O=C(O)C(O)C(O)C1(OC(COC)C(O)CC1O)N
inchi:
InChI=1/C10H19NO8/c1-18-3-5-4(12)2-6(13)10(11,19-5)8(15)7(14)9(16)17/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)


name: Ammonium (1S-endo)-[3-bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate
cas: 56144-54-8
formula: C10H15BrO4S.H3N
inchikey: ARLPLMVJWOUPSH-UHFFFAOYSA-N
norman_susdat_id: NS00088130
smiles: [NH4+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2Br
inchi:
InChI=1/C10H15BrO4S.H3N/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H3


name: 2-(2-ethylhexyl)-6,7-dimethoxy-1H-benz[de]isoquinoline-1,3(2H)-dione
cas: 56148-88-0
dtxsid: DTXSID40971523
formula: C22H27NO4
inchikey: ZKUVWSNPGLZZDC-UHFFFAOYSA-N
norman_susdat_id: NS00055956
pubchem_cid: 92025
smiles: O=C1C2=CC=C(OC)C=3C(OC)=CC=C(C(=O)N1CC(CC)CCCC)C23
inchi:
InChI=1/C22H27NO4/c1-5-7-8-14(6-2)13-23-21(24)15-9-11-17(26-3)20-18(27-4)12-10-16(19(15)20)22(23)25/h9-12,14H,5-8,13H2,1-4H3


cas: 56148-97-1
formula: C36H29N8O10S2
inchikey: VNZFMWKUROCPRU-UHFFFAOYSA-N
norman_susdat_id: NS00054627
pubchem_cid: 135571050
name:
4-amino-5-hydroxy-6-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C36H28N8O10S2/c1-19-15-21(3-13-28(19)40-38-25-7-11-27(45)12-8-25)22-4-14-29(20(2)16-22)41-43-35-31(56(52,53)54)18-23-17-30(55(49,50)51)34(33(37)32(23)36(35)46)42-39-24-5-9-26(10-6-24)44(47)48/h3-18,45-46H,37H2,1-2H3,(H,49,50,51)(H,52,53,54)

smiles:
O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC=C(C=C4C)C=5C=CC(N=NC6=CC=C(O)C=C6)=C(C5)C)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1


name: 2,3-bis(1-oxobutoxy)propyl stearate
cas: 56149-03-2
dtxsid: DTXSID60971525
formula: C29H54O6
inchikey: JPJFJSLWXDLTLN-UHFFFAOYSA-N
norman_susdat_id: NS00055957
pubchem_cid: 92026
smiles: O=C(OCC(OC(=O)CCC)COC(=O)CCCCCCCCCCCCCCCCC)CCC
inchi:
InChI=1/C29H54O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(31)34-25-26(35-29(32)22-6-3)24-33-27(30)21-5-2/h26H,4-25H2,1-3H3


name: 2,3-bis[(1-oxooctyl)oxy]propyl stearate
cas: 56149-05-4
dtxsid: DTXSID20971526
formula: C37H70O6
inchikey: MZOBWBAHWLTJCC-UHFFFAOYSA-N
norman_susdat_id: NS00055009
pubchem_cid: 92027
smiles: O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C37H70O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-25-27-30-36(39)42-33-34(43-37(40)31-28-24-12-9-6-3)32-41-35(38)29-26-23-11-8-5-2/h34H,4-33H2,1-3H3


name: 2,3-bis(acetoxy)propyl docosanoate
cas: 56149-06-5
dtxsid: DTXSID80971527
formula: C29H54O6
inchikey: YNDIWSFVSPIYNK-UHFFFAOYSA-N
norman_susdat_id: NS00055010
pubchem_cid: 92028
smiles: O=C(OCC(OC(=O)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C29H54O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)34-25-28(35-27(3)31)24-33-26(2)30/h28H,4-25H2,1-3H3


name: 2,3-dipropionyloxypropyl docosanoate
cas: 56149-07-6
dtxsid: DTXSID40971528
formula: C31H58O6
inchikey: OCYWSQCIAYHRRU-UHFFFAOYSA-N
norman_susdat_id: NS00055084
pubchem_cid: 92029
smiles: O=C(OCC(OC(=O)CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C31H58O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-31(34)36-27-28(37-30(33)6-3)26-35-29(32)5-2/h28H,4-27H2,1-3H3


name: 2,3-bis[(1-oxooctyl)oxy]propyl docosanoate
cas: 56149-10-1
dtxsid: DTXSID00971529
formula: C41H78O6
inchikey: VKKGBDRVEPPFDR-UHFFFAOYSA-N
norman_susdat_id: NS00055976
pubchem_cid: 92030
smiles: O=C(OCC(OC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C41H78O6/c1-4-7-10-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-31-34-40(43)46-37-38(47-41(44)35-32-28-12-9-6-3)36-45-39(42)33-30-27-11-8-5-2/h38H,4-37H2,1-3H3


name: Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
cas: 56149-93-0
chemspiderid: 83096
dtxsid: DTXSID6069084
formula: C19H21Cl1N6O8
inchikey: ZGEDNLYBHOQTOJ-UHFFFAOYSA-N
norman_susdat_id: NS00033468
pubchem_cid: 92033
smiles: COc1cc(N=Nc2c(Cl)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CCO)CCO
inchi:
InChI=1S/C19H21ClN6O8/c1-11(29)21-14-9-16(24(3-5-27)4-6-28)18(34-2)10-15(14)22-23-19-13(20)7-12(25(30)31)8-17(19)26(32)33/h7-10,27-28H,3-6H2,1-2H3,(H,21,29)/b23-22+


cas: 56151-64-5
dtxsid: DTXSID10971530
formula: C20H29ClO
inchikey: DUUZGQPIIHHAPA-UHFFFAOYSA-N
norman_susdat_id: NS00054678
pubchem_cid: 92034
smiles: O=C(Cl)C1(C)CCCC2(C)C3C(C=C(CC3)C(C)C)=CCC12
name:
[1R(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonyl chloride

inchi:
InChI=1/C20H29ClO/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


name: 2-(Hydroxymethyl)-2-(((1-oxoheptyl)oxy)methyl)propane-1,3-diyl bisheptanoate
cas: 56158-58-8
chemspiderid: 83098
dtxsid: DTXSID10204693
formula: C26H48O7
inchikey: BXKGEHTYSZRXRV-UHFFFAOYSA-N
norman_susdat_id: NS00033470
pubchem_cid: 92035
smiles: CCCCCCC(=O)OCC(CO)(COC(=O)CCCCCC)COC(=O)CCCCCC
inchi:
InChI=1S/C26H48O7/c1-4-7-10-13-16-23(28)31-20-26(19-27,21-32-24(29)17-14-11-8-5-2)22-33-25(30)18-15-12-9-6-3/h27H,4-22H2,1-3H3


name: N-D-Gluconoylglycine
cas: 5616-22-8
chemspiderid: 3347266
dtxsid: DTXSID70204694
formula: C8H15N1O8
inchikey: QEHGETHQXBNOTO-XYXSHXKPSA-N
norman_susdat_id: NS00033471
pubchem_cid: 6453302
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCC(=O)O
inchi:
InChI=1S/C8H15NO8/c10-2-3(11)5(14)6(15)7(16)8(17)9-1-4(12)13/h3,5-7,10-11,14-16H,1-2H2,(H,9,17)(H,12,13)/t3-,5-,6+,7-/m1/s1


name: methyl 2-ethylhexyl phthalate
cas: 56166-83-7
dtxsid: DTXSID20880902
formula: C17H24O4
inchikey: MQYNKBGLFNKJPL-UHFFFAOYSA-N
norman_susdat_id: NS00096063
smiles: CCCCC(CC)COC(=O)c1ccccc1C(=O)OC
inchi:
InChI=1/C17H24O4/c1-4-6-9-13(5-2)12-21-17(19)15-11-8-7-10-14(15)16(18)20-3/h7-8,10-11,13H,4-6,9,12H2,1-3H3


name: C.I. Acid Blue 62 parent
cas: 5617-28-7
chemspiderid: 70453
dtxsid: DTXSID4045050
formula: C18H10N4O4S1
inchikey: GMBNNHLANOGOAU-UHFFFAOYSA-N
norman_susdat_id: NS00021216
pubchem_cid: 78075
smiles: [O-][N+](=O)c1cc(ccc1)c1csc(n1)/C(=C/c1ccccc1[N+](=O)[O-])/C#N
inchi:
InChI=1S/C18H10N4O4S/c19-10-14(8-13-4-1-2-7-17(13)22(25)26)18-20-16(11-27-18)12-5-3-6-15(9-12)21(23)24/h1-9,11H/b14-8+


name: N-benzyloxycarbonyl-DL-tyrosine
cas: 5618-98-4
dtxsid: DTXSID00971564
formula: C17H17NO5
inchikey: MCRMUCXATQAAMN-HNNXBMFYSA-N
norman_susdat_id: NS00044454
pubchem_cid: 712438
smiles: O=C(O)C(NC(=O)OCC=1C=CC=CC1)CC2=CC=C(O)C=C2
inchi:
InChI=1/C17H17NO5/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)


name: Acarbose
cas: 56180-94-0
chebiid: CHEBI:94035
chemspiderid: 389971
dtxsid: DTXSID8046034
formula: C25H43N1O18
inchikey: XUFXOAAUWZOOIT-SXARVLRPSA-N
norman_susdat_id: NS00001516
pubchem_cid: 441184
inchi:
InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-/m1/s1

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


name: [1-(biphenyl-4-yl)-2-phenylethyl]malonic acid
cas: 56181-63-6
dtxsid: DTXSID20971566
formula: C23H20O4
inchikey: QUFVZWVTYPOLSK-UHFFFAOYSA-N
norman_susdat_id: NS00054679
pubchem_cid: 92043
smiles: O=C(O)C(C(=O)O)C(C=1C=CC(=CC1)C=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C23H20O4/c24-22(25)21(23(26)27)20(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20-21H,15H2,(H,24,25)(H,26,27)


name: 3-[1,1'-biphenyl]-4-yl-3,4-dihydronaphthalen-1(2H)-one
cas: 56181-65-8
dtxsid: DTXSID80971567
formula: C22H18O
inchikey: AFIAHUCZUURHQW-UHFFFAOYSA-N
norman_susdat_id: NS00056030
pubchem_cid: 92044
smiles: O=C1C=2C=CC=CC2CC(C=3C=CC(=CC3)C=4C=CC=CC4)C1
inchi:
InChI=1/C22H18O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20H,14-15H2


name: 3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol
cas: 56181-66-9
dtxsid: DTXSID40971568
formula: C22H20O
inchikey: YZWIKXHPIWMMIG-UHFFFAOYSA-N
norman_susdat_id: NS00055053
pubchem_cid: 92045
smiles: OC1C=2C=CC=CC2CC(C=3C=CC(=CC3)C=4C=CC=CC4)C1
inchi:
InChI=1/C22H20O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22-23H,14-15H2


name: 3-[1,1'-biphenyl]-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene
cas: 56181-67-0
dtxsid: DTXSID00971569
formula: C22H19Br
inchikey: VLTQDLHIBNGGAL-UHFFFAOYSA-N
norman_susdat_id: NS00055152
pubchem_cid: 92046
smiles: BrC1C=2C=CC=CC2CC(C=3C=CC(=CC3)C=4C=CC=CC4)C1
inchi:
InChI=1/C22H19Br/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20,22H,14-15H2


name: N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-5-nitro-2-quinolyl)methyl]-N-(1-methylethyl)acetamide
cas: 56181-75-0
dtxsid: DTXSID10971570
formula: C18H26N3O4
inchikey: DBLZDMNSPRGMCP-UHFFFAOYSA-N
norman_susdat_id: NS00054680
pubchem_cid: 92047
smiles: O=C(N1C2=CC=C(C(=C2CCC1CN(C(=O)C)C(C)C)[N+](=O)[O-])C)C
inchi:
InChI=1/C18H25N3O4/c1-11(2)19(13(4)22)10-15-7-8-16-17(20(15)14(5)23)9-6-12(3)18(16)21(24)25/h6,9,11,15H,7-8,10H2,1-5H3


name: 3-(4'-bromo[1,1'-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthol
cas: 56181-82-9
dtxsid: DTXSID60884707
formula: C22H19BrO
inchikey: LGYMGAWTNGCUFA-UHFFFAOYSA-N
norman_susdat_id: NS00055153
pubchem_cid: 92048
smiles: BrC=1C=CC(=CC1)C2=CC=C(C=C2)C3CC=4C=CC=CC4C(O)C3
inchi:
InChI=1/C22H19BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22,24H,13-14H2


name: (1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-iododec-1-ene
cas: 56184-40-8
dtxsid: DTXSID00896682
formula: C10F19I
inchikey: CNVIZYKCNXLGGZ-UPHRSURJSA-N
norman_susdat_id: NS00109079
smiles: FC(I)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10F19I/c11-1(2(12)30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/b2-1-


name: N,N'-{[(4-Methylbenzene-1-sulfonyl)azanediyl]di(ethane-2,1-diyl)}bis(4-methylbenzene-1-sulfonamide)
cas: 56187-04-3
chemspiderid: 280267
dtxsid: DTXSID20311721
formula: C25H31N3O6S3
inchikey: OCDIAWYQMCPHAM-UHFFFAOYSA-N
norman_susdat_id: NS00007181
pubchem_cid: 316685
smiles: Cc1ccc(cc1)S(=O)(=O)NCCN(CCNS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C25H31N3O6S3/c1-20-4-10-23(11-5-20)35(29,30)26-16-18-28(37(33,34)25-14-8-22(3)9-15-25)19-17-27-36(31,32)24-12-6-21(2)7-13-24/h4-15,26-27H,16-19H2,1-3H3


name: Cefazedone
cas: 56187-47-4
chemspiderid: 382174
dtxsid: DTXSID50204733
formula: C18H15Cl2N5O5S3
inchikey: VTLCNEGVSVJLDN-UHFFFAOYSA-N
norman_susdat_id: NS00004591
pubchem_cid: 432140
smiles: Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)Cn2cc(Cl)c(=O)c(Cl)c2)C3=O)C(O)=O)s1
inchi:
InChI=1S/C18H15Cl2N5O5S3/c1-7-22-23-18(33-7)32-6-8-5-31-16-12(15(28)25(16)13(8)17(29)30)21-11(26)4-24-2-9(19)14(27)10(20)3-24/h2-3,12,16H,4-6H2,1H3,(H,21,26)(H,29,30)


name: Ximoprofen
cas: 56187-89-4
chebiid: CHEBI:48521
dtxsid: DTXSID40874686
formula: C15H19NO3
inchikey: IQPPOXSMSDPZKU-UHFFFAOYSA-N
norman_susdat_id: NS00054699
pubchem_cid: 68756
smiles: O=C(O)C(C1=CC=C(C=C1)C2CC(=NO)CCC2)C
inchi:
InChI=1/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)


cas: 56195-25-6
dtxsid: DTXSID60971580
formula: C23H16N6O3
inchikey: RXQFNYIQKDNLMM-UHFFFAOYSA-N
norman_susdat_id: NS00055154
pubchem_cid: NA
smiles: CN1C(=O)C(=c2c3ccccc3c(=C(C#N)c4[nH]c5ccccc5n4)[nH]2)C(=O)N(C1=O)C
name:
a-[2,3-dihydro-3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile

inchi:
InChI=1/C23H16N6O3/c1-28-21(30)17(22(31)29(2)23(28)32)19-13-8-4-3-7-12(13)18(27-19)14(11-24)20-25-15-9-5-6-10-16(15)26-20/h3-10,27H,1-2H3,(H,25,26)


cas: 56195-26-7
formula: C26H22N6O4
inchikey: PMQCCXCKSKSGBL-UHFFFAOYSA-N
norman_susdat_id: NS00056031
pubchem_cid: NA
smiles: N#CC(C1=NC=2C=CC=CC2N1)=C3NC(C=4C=CC=CC43)=C5C(=O)N(C(=O)N(C5=O)CCCOC)C
name:
Alpha.-[2,3-dihydro-3-[tetrahydro-1-(3-methoxypropyl)-3-methyl-2,4,6-trioxo-5(2H)-pyrimidinylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile

inchi:
InChI=1/C26H22N6O4/c1-31-24(33)20(25(34)32(26(31)35)12-7-13-36-2)22-16-9-4-3-8-15(16)21(30-22)17(14-27)23-28-18-10-5-6-11-19(18)29-23/h3-6,8-11,30H,7,12-13H2,1-2H3,(H,28,29)


cas: 56195-27-8
dtxsid: DTXSID20971581
formula: C29H28N6O5
inchikey: UVENWRLRGHRWRE-UHFFFAOYSA-N
norman_susdat_id: NS00055155
pubchem_cid: NA
smiles: N#CC(C1=NC=2C=CC=CC2N1)=C3NC(C=4C=CC=CC43)=C5C(=O)N(C(=O)N(C5=O)CCCOC)CCCOC
name:
a-[2,3-dihydro-3-[tetrahydro-1,3-bis(3-methoxypropyl)-2,4,6-trioxo-5(2H)-pyrimidin-ylidene]-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile

inchi:
InChI=1/C29H28N6O5/c1-39-15-7-13-34-27(36)23(28(37)35(29(34)38)14-8-16-40-2)25-19-10-4-3-9-18(19)24(33-25)20(17-30)26-31-21-11-5-6-12-22(21)32-26/h3-6,9-12,33H,7-8,13-16H2,1-2H3,(H,31,32)


name: (5a,6a)-17-allyl-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-ol
cas: 56195-50-7
dtxsid: DTXSID80971582
formula: C20H23NO3
inchikey: XAOWELGMJQTJQR-WYIOCLOVSA-N
norman_susdat_id: NS00055156
pubchem_cid: 5486632
smiles: OC1C=CC2C3N(CC=C)CCC42C5=C(OC14)C(OC)=CC=C5C3
inchi:
InChI=1/C20H23NO3/c1-3-9-21-10-8-20-13-5-6-15(22)19(20)24-18-16(23-2)7-4-12(17(18)20)11-14(13)21/h3-7,13-15,19,22H,1,8-11H2,2H3


name: Chlorphenoxamine hydrochloride
cas: 562-09-4
formula: C18H22ClNO.ClH
inchikey: PAQUKACYLLABHB-UHFFFAOYSA-N
norman_susdat_id: NS00080030
smiles: Cl.CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2
inchi:
InChI=1/C18H22ClNO.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: Doxylamine hydrogen succinate
cas: 562-10-7
chebiid: CHEBI:82461
formula: C17H22N2O.C4H6O4
inchikey: KBAUFVUYFNWQFM-UHFFFAOYSA-N
norman_susdat_id: NS00080013
smiles: CN(C)CCOC(C)(c1ccccc1)c2ccccn2.OC(=O)CCC(=O)O
inchi:
InChI=1/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)


name: Phenoperidine
cas: 562-26-5
chebiid: CHEBI:135550
dtxsid: DTXSID90862199
formula: C23H29NO3
inchikey: IPOPQVVNCFQFRK-UHFFFAOYSA-N
norman_susdat_id: NS00042807
pubchem_cid: 11226
smiles: O=C(OCC)C1(C=2C=CC=CC2)CCN(CCC(O)C=3C=CC=CC3)CC1
inchi:
InChI=1/C23H29NO3/c1-2-27-22(26)23(20-11-7-4-8-12-20)14-17-24(18-15-23)16-13-21(25)19-9-5-3-6-10-19/h3-12,21,25H,2,13-18H2,1H3


name: Chlorogenin
cas: 562-34-5
chemspiderid: 12303065
formula: C27H44O4
inchikey: PZNPHSFXILSZTM-JUGSJECZSA-N
norman_susdat_id: NS00093688
pubchem_cid: 16735736
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1


name: O-ß-D-fructofuranosyl-(2<U+2192>6)-ß-D-fructofuranosyl-a-D-glucopyranoside
cas: 562-68-5
chebiid: CHEBI:175865
formula: C18H32O16
inchikey: HQFMTRMPFIZQJF-UHFFFAOYSA-N
norman_susdat_id: NS00042340
pubchem_cid: 102436
smiles: OCC1OC(OCC2OC(OC3(OC(CO)C(O)C3O)CO)C(O)C(O)C2O)(CO)C(O)C1O
inchi:
InChI=1/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2


name: Bis(2-ethylhexanoato-O)(propan-2-olato)aluminium
cas: 56208-99-2
formula: C19H37AlO5
inchikey: GSQFXVZDKYFRCE-UHFFFAOYSA-L
norman_susdat_id: NS00088159
smiles: CCCCC(CC)C(=O)O[Al](OC(C)C)OC(=O)C(CC)CCCC
inchi:
InChI=1/2C8H16O2.C3H7O.Al/c2*1-3-5-6-7(4-2)8(9)10;1-3(2)4;/h2*7H,3-6H2,1-2H3,(H,9,10);3H,1-2H3;/q;;-1;+3/p-2/rC19H37AlO5/c1-7-11-13-16(9-3)18(21)24-20(23-15(5)6)25-19(22)17(10-4)14-12-8-2/h15-17H,7-14H2,1-6H3


name: Torsemide
cas: 56211-40-6
chebiid: CHEBI:9637
chemspiderid: 38123
dtxsid: DTXSID2023690
formula: C16H20N4O3S1
inchikey: NGBFQHCMQULJNZ-UHFFFAOYSA-N
norman_susdat_id: NS00000548
pubchem_cid: 41781
smiles: O=S(=O)(c2c(Nc1cc(ccc1)C)ccnc2)NC(=O)NC(C)C
inchi:
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)


name: Tameticillin
cas: 56211-43-9
chemspiderid: 62001
dtxsid: DTXSID00204768
formula: C23H33N3O6S1
inchikey: HBOSVRMWGCNXAB-LVCYWYKZSA-N
norman_susdat_id: NS00011632
pubchem_cid: 68757
smiles: CCN(CC)CCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)c3c(cccc3OC)OC)(C)C
inchi:
InChI=1S/C23H33N3O6S/c1-7-25(8-2)12-13-32-22(29)18-23(3,4)33-21-17(20(28)26(18)21)24-19(27)16-14(30-5)10-9-11-15(16)31-6/h9-11,17-18,21H,7-8,12-13H2,1-6H3,(H,24,27)/t17-,18+,21-/m1/s1


name: Ethyl palmitoleate
cas: 56219-10-4
chebiid: CHEBI:84934
chemspiderid: 4516898
formula: C18H34O2
inchikey: JELGPLUONQGOHF-KTKRTIGZSA-N
norman_susdat_id: NS00018674
pubchem_cid: 6436624
smiles: CCCCCCC=CCCCCCCCC(=O)OCC
inchi:
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h9-10H,3-8,11-17H2,1-2H3/b10-9-


name: Arildone
cas: 56219-57-9
chemspiderid: 38124
dtxsid: DTXSID30204771
formula: C20H29Cl1O4
inchikey: DIXRMZGIJNJUGL-UHFFFAOYSA-N
norman_susdat_id: NS00033485
pubchem_cid: 41782
smiles: CCC(=O)C(CCCCCCOc1ccc(OC)cc1Cl)C(=O)CC
inchi:
InChI=1S/C20H29ClO4/c1-4-18(22)16(19(23)5-2)10-8-6-7-9-13-25-20-12-11-15(24-3)14-17(20)21/h11-12,14,16H,4-10,13H2,1-3H3


name: DIETHYLHEXYL MALATE
cas: 56235-92-8
chemspiderid: 83128
formula: C20H38O5
inchikey: ZDVFAKWEMOAQQR-UHFFFAOYSA-N
norman_susdat_id: NS00013579
pubchem_cid: 92070
smiles: CCCCC(CC)COC(=O)CC(O)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C20H38O5/c1-5-9-11-16(7-3)14-24-19(22)13-18(21)20(23)25-15-17(8-4)12-10-6-2/h16-18,21H,5-15H2,1-4H3


name: (2-ethylhexanoato-O)oxoaluminium
cas: 56237-73-1
formula: C8H15AlO3
inchikey: MWWSKDRLCHIBAF-UHFFFAOYSA-M
norman_susdat_id: NS00087477
smiles: CCCCC(CC)C(=O)O[Al]=O
inchi:
InChI=1/C8H16O2.Al.O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;/p-1/rC8H15AlO3/c1-3-5-6-7(4-2)8(10)12-9-11/h7H,3-6H2,1-2H3


name: 5-oxo-1-phenyl-2-thioxoimidazolidine-4-propionic acid
cas: 5624-27-1
formula: C12H12N2O3S
inchikey: ULKNJYDXLYMGFB-UHFFFAOYSA-N
norman_susdat_id: NS00043766
pubchem_cid: NA
smiles: O=C(O)CCC1NC(=S)N(C=2C=CC=CC2)C1=O
inchi:
InChI=1/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)


name: 1,4-Piperazinediethanesulfonic acid
cas: 5625-37-6
chebiid: CHEBI:44933
chemspiderid: 72022
dtxsid: DTXSID8063965
formula: C8H18N2O6S2
inchikey: IHPYMWDTONKSCO-UHFFFAOYSA-N
norman_susdat_id: NS00033488
pubchem_cid: NA
smiles: OS(=O)(=O)CCN1CCN(CCS(=O)(=O)[O-])CC1
inchi:
InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)


name: 3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
cas: 5625-40-1
chebiid: CHEBI:65063
dtxsid: DTXSID90971679
formula: C18H18N2O4
inchikey: NGPCLOGFGKJCBP-HOTGVXAUSA-N
norman_susdat_id: NS00068711
pubchem_cid: 11267350
smiles: O=C1N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)cc1
inchi:
InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1


name: 1,4-Piperazinedipropanesulfonic acid
cas: 5625-56-9
chemspiderid: 72023
dtxsid: DTXSID3063966
formula: C10H22N2O6S2
inchikey: PDLPTSJWDUCMKS-UHFFFAOYSA-N
norman_susdat_id: NS00033490
pubchem_cid: 79724
smiles: OS(=O)(=O)CCCN1CCN(CCCS(=O)(=O)O)CC1
inchi:
InChI=1S/C10H22N2O6S2/c13-19(14,15)9-1-3-11-5-7-12(8-6-11)4-2-10-20(16,17)18/h1-10H2,(H,13,14,15)(H,16,17,18)


name: 2-hexadecylicosanoic acid
cas: 56253-91-9
dtxsid: DTXSID80971683
formula: C36H72O2
inchikey: IJBWKGHEXLOTPU-UHFFFAOYSA-N
norman_susdat_id: NS00055197
pubchem_cid: 3034389
smiles: O=C(O)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H72O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36(37)38)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H,37,38)


name: Prednisolamate
cas: 5626-34-6
chebiid: CHEBI:135763
formula: C27H39NO6
inchikey: ILZSJEITWDWIRX-FOMYWIRZSA-N
norman_susdat_id: NS00044504
pubchem_cid: 20055007
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CN(CC)CC)C4(C)CC(O)C32)C
inchi:
InChI=1/C27H39NO6/c1-5-28(6-2)15-23(32)34-16-22(31)27(33)12-10-20-19-8-7-17-13-18(29)9-11-25(17,3)24(19)21(30)14-26(20,27)4/h9,11,13,19-21,24,30,33H,5-8,10,12,14-16H2,1-4H3


name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
cas: 5626-99-3
formula: C9H14N2O5
inchikey: XMJRLEURHMTTRX-SHYZEUOFSA-N
norman_susdat_id: NS00070690
pubchem_cid: 5273010
smiles: O=C1CCN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N1
inchi:
InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1


name: 5-oxo-L-proline, compound with L-arginine (1:1)
cas: 56265-06-6
formula: C6H14N4O2.C5H7NO3
inchikey: UYCAGRPOUWSBIQ-WOYAITHZSA-N
norman_susdat_id: NS00087743
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C6H14N4O2.C5H7NO3/c7-4(5(11)12)2-1-3-10-6(8)9;7-4-2-1-3(6-4)5(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H2,(H,6,7)(H,8,9)


name: 1,4-dibenzhydrylpiperazine
cas: 56265-29-3
chemspiderid: 1310742
dtxsid: DTXSID40364673
formula: C30H30N2
inchikey: FLOADUFBZDDTPV-UHFFFAOYSA-N
norman_susdat_id: NS00000734
pubchem_cid: 1640356
smiles: C1CN(CCN1C(C1=CC=CC=C1)C1=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C30H30N2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2


name: DEA-METHOXYCINNA- MATE
cas: 56265-46-4
chebiid: CHEBI:143736
chemspiderid: 609479
formula: C10H10O3
inchikey: AFDXODALSZRGIH-QPJJXVBHSA-N
norman_susdat_id: NS00013547
pubchem_cid: 699414
smiles: COc1ccc(C=CC(O)=O)cc1.OCCNCCO
inchi:
InChI=1S/C10H10O3.C4H11NO2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;6-3-1-5-2-4-7/h2-7H,1H3,(H,11,12);5-7H,1-4H2/b7-4+;


cas: 56271-94-4
formula: C15H15N3O7S
inchikey: OUSLHGWWWMRAIG-UHFFFAOYSA-N
norman_susdat_id: NS00055120
pubchem_cid: 92086
smiles: O=C(O)C1=C(CO)CSC2N1C(=O)C2NC(=O)C(=NOC)C=3OC=CC3
name:
[6R-[6a,7ß(Z)]]-7-[2-furyl(methoxyimino)acetamido]-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C15H15N3O7S/c1-24-17-9(8-3-2-4-25-8)12(20)16-10-13(21)18-11(15(22)23)7(5-19)6-26-14(10)18/h2-4,10,14,19H,5-6H2,1H3,(H,16,20)(H,22,23)


name: 2-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-p-cresol
cas: 56275-25-3
dtxsid: DTXSID5069091
formula: C20H22ClN7O3
inchikey: XIUWOZNEOQZJBS-UHFFFAOYSA-N
norman_susdat_id: NS00054753
pubchem_cid: 91784
smiles: ClC=1N=C(N=C(N1)N(CCO)CCO)NC2=CC=C(N=NC3=CC(=CC=C3O)C)C=C2
inchi:
InChI=1/C20H22ClN7O3/c1-13-2-7-17(31)16(12-13)27-26-15-5-3-14(4-6-15)22-19-23-18(21)24-20(25-19)28(8-10-29)9-11-30/h2-7,12,29-31H,8-11H2,1H3,(H,22,23,24,25)


name: [3-[ethyl(o-tolyl)amino]-2-hydroxypropyl]trimethylammonium chloride
cas: 56280-59-2
dtxsid: DTXSID50884711
formula: C15H27N2O
inchikey: QIONMFNAXZETLK-UHFFFAOYSA-M
norman_susdat_id: NS00055201
pubchem_cid: NA
smiles: [Cl-].OC(CN(C=1C=CC=CC1C)CC)C[N+](C)(C)C
inchi:
InChI=1/C15H27N2O.ClH/c1-6-16(11-14(18)12-17(3,4)5)15-10-8-7-9-13(15)2;/h7-10,14,18H,6,11-12H2,1-5H3;1H/q+1;/p-1


name: Motretinide
cas: 56281-36-8
chebiid: CHEBI:135490
dtxsid: DTXSID30878633
formula: C23H31NO2
inchikey: IYIYMCASGKQOCZ-DJRRULDNSA-N
norman_susdat_id: NS00056081
pubchem_cid: 6314185
smiles: OC(=NCC)C=C(C=CC=C(C=CC=1C(=CC(OC)=C(C1C)C)C)C)C
inchi:
InChI=1/C23H31NO2/c1-8-24-23(25)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(26-7)20(6)19(21)5/h9-15H,8H2,1-7H3,(H,24,25)


name: Monensin, 16-deethyl-3-O-demethyl-16-methyl-3-O-(1-oxopropyl)-
cas: 56283-74-0
formula: C37H62O12
inchikey: ZNBNBTIDJSKEAM-UHFFFAOYSA-N
norman_susdat_id: NS00055122
pubchem_cid: 91790
smiles: O=C(O)C(C)C(OC(=O)CC)C(C)C1OC2(OC(C)(CC2)C3OC(C)(CC3)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C)CC(O)C1C
inchi:
InChI=1/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)


name: Afloqualone
cas: 56287-74-2
chebiid: CHEBI:31177
dtxsid: DTXSID5022562
formula: C16H14FN3O
inchikey: VDOSWXIDETXFET-UHFFFAOYSA-N
norman_susdat_id: NS00097760
smiles: CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)N)CF
inchi:
InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3


name: Isopteropodin
cas: 5629-60-7
formula: C21H24N2O4
inchikey: JMIAZDVHNCCPDM-UHFFFAOYSA-N
norman_susdat_id: NS00097040
smiles: CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
inchi:
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)


name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino]-1-hydroxyethyl]salicylamide
cas: 56290-94-9
chebiid: CHEBI:135571
dtxsid: DTXSID30866550
formula: C20H24N2O5
inchikey: MPQWSYJGFLADEW-UHFFFAOYSA-N
norman_susdat_id: NS00054754
pubchem_cid: 41835
smiles: O=C(N)C1=CC(=CC=C1O)C(O)CNC(C)CCC2=CC=C3OCOC3=C2
inchi:
InChI=1/C20H24N2O5/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25)


name: Fluoxetine hydrochloride
cas: 56296-78-7
chebiid: CHEBI:145458
dtxsid: DTXSID7020635
formula: C17H19ClF3NO
inchikey: GIYXAJPCNFJEHY-UHFFFAOYSA-N
norman_susdat_id: NS00076376
smiles: Cl.CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1
inchi:
InChI=1/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H


name: Ethyl N2-acetyl-L-argininate
cas: 56296-83-4
dtxsid: DTXSID70971733
formula: C10H20N4O3
inchikey: VAPHLLYHDMUQSW-QMMMGPOBSA-N
norman_susdat_id: NS00056083
pubchem_cid: 21116759
smiles: O=C(NC(C(=O)OCC)CCCNC(=N)N)C
inchi:
InChI=1/C10H20N4O3/c1-3-17-9(16)8(14-7(2)15)5-4-6-13-10(11)12/h8H,3-6H2,1-2H3,(H,14,15)(H4,11,12,13)


name: Tris(2-methoxyphenyl) phosphate
cas: 563-03-1
chebiid: CHEBI:135674
dtxsid: DTXSID70204836
formula: C21H21O7P
inchikey: ADBFDJQRBQZXAB-UHFFFAOYSA-N
norman_susdat_id: NS00042808
pubchem_cid: 68420
smiles: O=P(OC=1C=CC=CC1OC)(OC=2C=CC=CC2OC)OC=3C=CC=CC3OC
inchi:
InChI=1/C21H21O7P/c1-23-16-10-4-7-13-19(16)26-29(22,27-20-14-8-5-11-17(20)24-2)28-21-15-9-6-12-18(21)25-3/h4-15H,1-3H3


name: Tri-m-tolyl phosphate
cas: 563-04-2
chemspiderid: 10758
dtxsid: DTXSID4026216
formula: C21H21O4P1
inchikey: RMLPZKRPSQVRAB-UHFFFAOYSA-N
norman_susdat_id: NS00009117
pubchem_cid: 11232
smiles: Cc1cccc(OP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)c1
inchi:
InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3


name: Tris(1H,1H-heptafluorobutyl)phosphate
cas: 563-09-7
chemspiderid: 2058302
dtxsid: DTXSID40380757
formula: C12H6F21O4P1
inchikey: SEKXXYCKRMKLQG-UHFFFAOYSA-N
norman_susdat_id: NS00011388
pubchem_cid: 2778036
smiles: FC(F)(F)C(F)(F)C(F)(F)CO[P](=O)(OCC(F)(F)C(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F21O4P/c13-4(14,7(19,20)10(25,26)27)1-35-38(34,36-2-5(15,16)8(21,22)11(28,29)30)37-3-6(17,18)9(23,24)12(31,32)33/h1-3H2


name: Dibutyldifluorostannane
cas: 563-25-7
dtxsid: DTXSID8052223
formula: C8H18F2Sn
inchikey: UTLYKVGGKZYRRQ-UHFFFAOYSA-L
norman_susdat_id: NS00043293
pubchem_cid: NA
smiles: F[Sn](F)(CCCC)CCCC
inchi:
InChI=1/2C4H9.2FH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2/rC8H18F2Sn/c1-3-5-7-11(9,10)8-6-4-2/h3-8H2,1-2H3


name: Tibolone
cas: 5630-53-5
chebiid: CHEBI:32223
chemspiderid: 392038
dtxsid: DTXSID5023667
formula: C21H28O2
inchikey: WZDGZWOAQTVYBX-XOINTXKNSA-N
norman_susdat_id: NS00009920
pubchem_cid: 444008
smiles: C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12
inchi:
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1


name: Bis(2-methoxy-4-nitrobenzenediazonium) naphthalenedisulphonate
cas: 56307-70-1
formula: C10H6O6S2.2C7H6N3O3
inchikey: XJKNMSTXNPXTMT-UHFFFAOYSA-L
norman_susdat_id: NS00087711
inchi:
InChI=1/C10H8O6S2.2C7H6N3O3/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16;2*1-13-7-4-5(10(11)12)2-3-6(7)9-8/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2

smiles:
COc1cc(ccc1[N+]#N)[N+](=O)[O-].COc2cc(ccc2[N+]#N)[N+](=O)[O-].[O-]S(=O)(=O)c3ccc4ccccc4c3S(=O)(=O)[O-]


name: 1-[4,4-bis(4-fluorophenyl)butyl]piperazine
cas: 5631-35-6
dtxsid: DTXSID90204853
formula: C20H24F2N2
inchikey: XMRZXPIHMZRNQC-UHFFFAOYSA-N
norman_susdat_id: NS00044962
pubchem_cid: 79729
smiles: FC1=CC=C(C=C1)C(C2=CC=C(F)C=C2)CCCN3CCNCC3
inchi:
InChI=1/C20H24F2N2/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24/h3-10,20,23H,1-2,11-15H2


name: 2,7-Naphthalenedisulfonic acid, 3-amino-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-
cas: 56317-51-2
chemspiderid: 82897
dtxsid: DTXSID5069093
formula: C18H17N3O12S4
inchikey: JWBAKTMKKFYQDB-UHFFFAOYSA-N
norman_susdat_id: NS00033500
pubchem_cid: 91801
smiles: Nc1c(N=Nc2ccc(cc2)S(=O)(=O)CCOS(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H17N3O12S4/c19-17-16(36(27,28)29)10-11-9-14(35(24,25)26)5-6-15(11)18(17)21-20-12-1-3-13(4-2-12)34(22,23)8-7-33-37(30,31)32/h1-6,9-10H,7-8,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b21-20+


name: Frugoside
cas: 56324-39-1
chemspiderid: 107771
dtxsid: DTXSID70276235
formula: C29H44O9
inchikey: WPVGSIBYLZQSIK-VEZJFPMXSA-N
norman_susdat_id: NS00094781
pubchem_cid: 120728
inchi:
InChI=1S/C29H44O9/c1-15-23(32)24(33)25(34)26(37-15)38-18-5-9-28(14-30)17(12-18)3-4-21-20(28)6-8-27(2)19(7-10-29(21,27)35)16-11-22(31)36-13-16/h11,15,17-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t15-,17-,18+,19-,20+,21-,23-,24-,25-,26?,27-,28-,29+/m1/s1

smiles:
C[C@H]1OC(O[C@H]2CC[C@@]3(CO)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H](O)[C@H](O)[C@@H]1O


name: Hydroxy(hydroxymethanesulphinato-O1,O2)zinc
cas: 56329-30-7
formula: CH4O4SZn
inchikey: CIBREKQHESSJKW-UHFFFAOYSA-L
norman_susdat_id: NS00087645
smiles: OCS(=O)O[Zn]O
inchi:
InChI=1/CH4O3S.H2O.Zn/c2-1-5(3)4;;/h2H,1H2,(H,3,4);1H2;/q;;+2/p-2/rCH4O4SZn/c2-1-6(3)5-7-4/h2,4H,1H2


name: Melengestrol
cas: 5633-18-1
chemspiderid: 8082266
dtxsid: DTXSID00204869
formula: C23H30O3
inchikey: OKHAOBQKCCIRLO-IBVJIVQJSA-N
norman_susdat_id: NS00033502
pubchem_cid: 9906614
smiles: CC(=O)[C@@]1(O)C(=C)CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C23H30O3/c1-13-10-17-18(21(4)8-6-16(25)12-19(13)21)7-9-22(5)20(17)11-14(2)23(22,26)15(3)24/h10,12,17-18,20,26H,2,6-9,11H2,1,3-5H3/t17-,18-,20+,21+,22-,23-/m0/s1


name: Oxybutynin
cas: 5633-20-5
chebiid: CHEBI:144551
chemspiderid: 4473
dtxsid: DTXSID0023406
formula: C22H31N1O3
inchikey: XIQVNETUBQGFHX-UHFFFAOYSA-N
norman_susdat_id: NS00010348
pubchem_cid: 4634
smiles: CCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O
inchi:
InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3


name: Sodium 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,4-dihydro-4-oxoquinazoline-6-sulphonate
cas: 56330-12-2
dtxsid: DTXSID5069095
formula: C21H19N3O6S
inchikey: XTPVIFSXAHUCQF-UHFFFAOYSA-M
norman_susdat_id: NS00053728
pubchem_cid: NA
smiles: [Na+].O=C1N=C(NC2=CC=C(C=C12)S(=O)(=O)[O-])C3=CC=4C=CC(=CC4OC3=O)N(CC)CC
inchi:
InChI=1/C21H19N3O6S.Na/c1-3-24(4-2)13-6-5-12-9-16(21(26)30-18(12)10-13)19-22-17-8-7-14(31(27,28)29)11-15(17)20(25)23-19;/h5-11H,3-4H2,1-2H3,(H,22,23,25)(H,27,28,29);/q;+1/p-1


name: HC Red 9
cas: 56330-88-2
chemspiderid: 82905
dtxsid: DTXSID30879802
formula: C15H15Cl1N4O2
inchikey: WGLVXBPQHZHCAS-XDHOZWIPSA-N
norman_susdat_id: NS00013731
pubchem_cid: NA
smiles: CNc1ccc(cc1Cl)N=C2C=C(C)C(=O)C=C2NC(N)=O
inchi:
InChI=1S/C15H15ClN4O2/c1-8-5-12(13(7-14(8)21)20-15(17)22)19-9-3-4-11(18-2)10(16)6-9/h3-7,18H,1-2H3,(H3,17,20,22)


name: 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 5634-34-4
formula: C7H8N4O2.C4H11NO
inchikey: SEIRRUDMPNNSCY-UHFFFAOYSA-N
norman_susdat_id: NS00080967
smiles: CN1C(=O)N(C)c2[nH]cnc2C1=O.CC(C)(N)CO
inchi:
InChI=1/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3


name: Parapenzolate bromide
cas: 5634-41-3
dtxsid: DTXSID10971772
formula: C21H26NO3
inchikey: NHTZWXHFTDRAEO-UHFFFAOYSA-M
norman_susdat_id: NS00044505
pubchem_cid: 68639
smiles: [Br-].O=C(OC1CC[N+](C)(C)CC1)C(O)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H26NO3.BrH/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18;/h3-12,19,24H,13-16H2,1-2H3;1H/q+1;/p-1


name: Tocamphyl
cas: 5634-42-4
chebiid: CHEBI:32237
formula: C19H26O4.C4H11NO2
inchikey: WSEQDEFUEFCRLT-UHFFFAOYSA-N
norman_susdat_id: NS00081237
smiles: CC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccc(C)cc2.OCCNCCO
inchi:
InChI=1/C19H26O4.C4H11NO2/c1-12-6-8-14(9-7-12)13(2)23-17(22)19(5)11-10-15(16(20)21)18(19,3)4;6-3-1-5-2-4-7/h6-9,13,15H,10-11H2,1-5H3,(H,20,21);5-7H,1-4H2


name: Mabuterol
cas: 56341-08-3
chebiid: CHEBI:135325
chemspiderid: 3857
dtxsid: DTXSID3048283
formula: C13H18Cl1F3N2O1
inchikey: JSJCTEKTBOKRST-UHFFFAOYSA-N
norman_susdat_id: NS00000016
pubchem_cid: 3995
smiles: CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)C(F)(F)F)O
inchi:
InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3


name: bis(2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-1-oxopropyl)peroxide
cas: 56347-79-6
dtxsid: DTXSID00437731
formula: C12F22O6
inchikey: UHASMEVRHWRZKF-UHFFFAOYSA-N
norman_susdat_id: NS00108802
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)OOC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12F22O6/c13-3(7(19,20)21,39-11(31,32)5(15,16)9(25,26)27)1(35)37-38-2(36)4(14,8(22,23)24)40-12(33,34)6(17,18)10(28,29)30


name: 4,4'-(3,4-Hexanediyl)diphenol
cas: 5635-50-7
chebiid: CHEBI:31669
chemspiderid: 3480
dtxsid: DTXSID30859129
formula: C18H22O2
inchikey: PBBGSZCBWVPOOL-UHFFFAOYSA-N
norman_susdat_id: NS00003872
pubchem_cid: 3606
smiles: CCC(C(CC)c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3


name: N-Acetylcarnosine
cas: 56353-15-2
chemspiderid: 82910
dtxsid: DTXSID30204897
formula: C11H16N4O4
inchikey: BKAYIFDRRZZKNF-UHFFFAOYSA-N
norman_susdat_id: NS00014887
pubchem_cid: 91814
smiles: O=C(NCCC(=O)NC(C(=O)O)Cc1cncn1)C
inchi:
InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)


cas: 56357-87-0
dtxsid: DTXSID20880487
norman_susdat_id: NS00109569
name:
Ethene, 1,1,2,2-tetrafluoro-, polymer with 1,1-difluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: N-(2-ethylhexyl)-1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]naphthalen-1-amine
cas: 56358-09-9
chemspiderid: 4955715
formula: C32H39N5
inchikey: ZLVBRIMUCPVJIT-UHFFFAOYSA-N
norman_susdat_id: NS00008278
pubchem_cid: 6453331
smiles: CCCCC(CC)CNC1(C=CCc2ccccc12)N=Nc1ccc(cc1C)N=Nc1ccccc1C
inchi:
InChI=1S/C32H39N5/c1-5-7-14-26(6-2)23-33-32(21-12-16-27-15-9-10-17-29(27)32)37-36-31-20-19-28(22-25(31)4)34-35-30-18-11-8-13-24(30)3/h8-13,15,17-22,26,33H,5-7,14,16,23H2,1-4H3


name: N-(2-ethylhexyl)-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 56358-10-2
dtxsid: DTXSID30866555
formula: C32H37N5
inchikey: OKIYJTPWVUUWGC-UHFFFAOYSA-N
norman_susdat_id: NS00053778
pubchem_cid: 171514
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NCC(CC)CCCC)C=C1C)C4=CC=CC(=C4)C
inchi:
InChI=1/C32H37N5/c1-5-7-12-25(6-2)22-33-31-18-16-26-13-8-9-15-29(26)32(31)37-35-28-17-19-30(24(4)21-28)36-34-27-14-10-11-23(3)20-27/h8-11,13-21,25,33H,5-7,12,22H2,1-4H3


name: N-(2-ethylhexyl)naphthalen-2-amine
cas: 56358-17-9
chemspiderid: 82912
formula: C18H25N1
inchikey: PEIBVKBWHHZYQC-UHFFFAOYSA-N
norman_susdat_id: NS00008749
pubchem_cid: 91816
smiles: CCCCC(CC)CNc1ccc2ccccc2c1
inchi:
InChI=1S/C18H25N/c1-3-5-8-15(4-2)14-19-18-12-11-16-9-6-7-10-17(16)13-18/h6-7,9-13,15,19H,3-5,8,14H2,1-2H3


name: N-Tridecylnaphthalen-2-amine
cas: 56358-18-0
chemspiderid: 82913
dtxsid: DTXSID10204911
formula: C23H35N1
inchikey: VTHLRNWWADIQMB-UHFFFAOYSA-N
norman_susdat_id: NS00033507
pubchem_cid: 91817
smiles: CCCCCCCCCCCCCNc1ccc2ccccc2c1
inchi:
InChI=1S/C23H35N/c1-2-3-4-5-6-7-8-9-10-11-14-19-24-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20,24H,2-11,14,19H2,1H3


name: N,N'-naphthalene-1,5-diylbis[4-[(3-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide]
cas: 56358-42-0
dtxsid: DTXSID0069096
formula: C46H32Cl2N6O4
inchikey: CDUQTTHCTBEGKX-UHFFFAOYSA-N
norman_susdat_id: NS00055065
pubchem_cid: 171515
inchi:
InChI=1/C46H32Cl2N6O4/c1-25-35(47)17-9-19-37(25)51-53-41-29-13-5-3-11-27(29)23-33(43(41)55)45(57)49-39-21-7-16-32-31(39)15-8-22-40(32)50-46(58)34-24-28-12-4-6-14-30(28)42(44(34)56)54-52-38-20-10-18-36(48)26(38)2/h3-24,55-56H,1-2H3,(H,49,57)(H,50,58)

smiles:
O=C(NC1=CC=CC=2C(=CC=CC12)NC(=O)C3=CC=4C=CC=CC4C(N=NC=5C=CC=C(Cl)C5C)=C3O)C6=CC=7C=CC=CC7C(N=NC=8C=CC=C(Cl)C8C)=C6O


name: Dimethindene
cas: 5636-83-9
chebiid: CHEBI:135222
chemspiderid: 20541
dtxsid: DTXSID9022942
formula: C20H24N2
inchikey: MVMQESMQSYOVGV-UHFFFAOYSA-N
norman_susdat_id: NS00003413
pubchem_cid: 21855
smiles: CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1
inchi:
InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3


name: Picloxydine
cas: 5636-92-0
chebiid: CHEBI:135768
formula: C20H24Cl2N10
inchikey: YNCLPFSAZFGQCD-UHFFFAOYSA-N
norman_susdat_id: NS00044983
pubchem_cid: NA
smiles: ClC1=CC=C(C=C1)NC(=N)NC(=N)N2CCN(C(=N)NC(=N)NC3=CC=C(Cl)C=C3)CC2
inchi:
InChI=1/C20H24Cl2N10/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)


name: 2-Propenoic acid, (1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) ester
cas: 56361-55-8
chemspiderid: 82914
dtxsid: DTXSID5069097
formula: C29H36O8
inchikey: DTCQGQSGPULSES-UHFFFAOYSA-N
norman_susdat_id: NS00020317
pubchem_cid: 91818
smiles: CC(C)(c1ccc(OCCOCCOC(=O)C=C)cc1)c1ccc(OCCOCCOC(=O)C=C)cc1
inchi:
InChI=1S/C29H36O8/c1-5-27(30)36-21-17-32-15-19-34-25-11-7-23(8-12-25)29(3,4)24-9-13-26(14-10-24)35-20-16-33-18-22-37-28(31)6-2/h5-14H,1-2,15-22H2,3-4H3


name: 1-Benzoyl-4-(1H-indol-3-yl)piperidine
cas: 56361-85-4
chemspiderid: 82915
dtxsid: DTXSID70204917
formula: C20H20N2O1
inchikey: YTURLADWFKSLFZ-UHFFFAOYSA-N
norman_susdat_id: NS00033510
pubchem_cid: 91819
smiles: O=C(N1CCC(CC1)c1c[nH]c2c1cccc2)c1ccccc1
inchi:
InChI=1S/C20H20N2O/c23-20(16-6-2-1-3-7-16)22-12-10-15(11-13-22)18-14-21-19-9-5-4-8-17(18)19/h1-9,14-15,21H,10-13H2


cas: 56372-23-7
formula: C10H10F13NO3S
norman_susdat_id: NS00101734
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl]-.omega.-hydroxy-


name: (N2,N6-diacetyl-L-lysinato-O1,O2)dihydroxyaluminium
cas: 56379-05-6
formula: C10H19AlN2O6
inchikey: JDOLOVXFNSQDIC-UHFFFAOYSA-K
norman_susdat_id: NS00087676
smiles: CC(=O)NCCCCC(NC(=O)C)C(=O)O[Al](O)O
inchi:
InChI=1/C10H18N2O4.Al.2H2O/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14;;;/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16);;2*1H2/q;+3;;/p-3/rC10H19AlN2O6/c1-7(14)12-6-4-3-5-9(13-8(2)15)10(16)19-11(17)18/h9,17-18H,3-6H2,1-2H3,(H,12,14)(H,13,15)


name: [(Z)-2-[2-[(1-oxo-9-octadecenyl)amino]ethoxy]ethyl] hydrogen maleate
cas: 56381-65-8
formula: C26H45NO6
inchikey: KFEBJZRLAXVSGZ-DEXHTJMYSA-N
norman_susdat_id: NS00054140
pubchem_cid: 6436607
smiles: O=C(O)C=CC(=O)OCCOCCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-20-21-32-22-23-33-26(31)19-18-25(29)30/h9-10,18-19H,2-8,11-17,20-23H2,1H3,(H,27,28)(H,29,30)


name: DISODIUM OLEAMIDO PEG-2 SULFOSUCCINATE
cas: 56388-43-3
chemspiderid: 5289164
formula: C26H47N1O9S1
inchikey: KRDWEPGKSTVSDB-KTKRTIGZSA-N
norman_susdat_id: NS00013627
pubchem_cid: 6912886
smiles: [Na+].[Na+].CCCCCCCCC=C/CCCCCCCC(=O)NCCOCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C26H47NO9S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)27-18-19-35-20-21-36-26(31)23(22-25(29)30)37(32,33)34;;/h9-10,23H,2-8,11-22H2,1H3,(H,27,28)(H,29,30)(H,32,33,34);;/q;2*+1/p-2/b10-9-;;


cas: 56390-08-0
formula: C27H29NO10.ClH
inchikey: GUGHGUXZJWAIAS-RBSGUPIDSA-N
norman_susdat_id: NS00087165
name:
(8S-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxynaphthacene-5,12-dione hydrochloride

inchi:
InChI=1/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H

smiles:
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C


cas: 56390-09-1
formula: C27H29NO11.ClH
inchikey: MWWSFMDVAYGXBV-FGBSZODSSA-N
norman_susdat_id: NS00087126
name:
(8S-cis)-10-[(3-amino-2,3,6-trideoxy-a-L-arabino-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride

inchi:
InChI=1/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H

smiles:
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO


name: Netilmicin
cas: 56391-56-1
chemspiderid: 20152952
dtxsid: DTXSID1048542
formula: C21H41N5O7
inchikey: CIDUJQMULVCIBT-MQDUPKMGSA-N
norman_susdat_id: NS00004708
pubchem_cid: 441306
smiles: CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
inchi:
InChI=1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1


name: Metoprolol acid
cas: 56392-14-4
chebiid: CHEBI:83478
chemspiderid: 56653
dtxsid: DTXSID70881080
formula: C14H21N1O4
inchikey: PUQIRTNPJRFRCZ-UHFFFAOYSA-N
norman_susdat_id: NS00000314
pubchem_cid: 62936
smiles: CC(C)NCC(O)COc1ccc(cc1)CC(=O)O
inchi:
InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)


name: Î±-Hydroxymetoprolol
cas: 56392-16-6
chebiid: CHEBI:165230
chemspiderid: 102899
formula: C15H25N1O4
inchikey: OFRYBPCSEMMZHR-UHFFFAOYSA-N
norman_susdat_id: NS00006454
pubchem_cid: 114962
smiles: COCC(O)c1ccc(OCC(O)CNC(C)C)cc1
inchi:
InChI=1S/C15H25NO4/c1-11(2)16-8-13(17)9-20-14-6-4-12(5-7-14)15(18)10-19-3/h4-7,11,13,15-18H,8-10H2,1-3H3


name: Metoprolol tartrate
cas: 56392-17-7
chebiid: CHEBI:6906
dtxsid: DTXSID9037248
formula: C34H56N2O12
inchikey: YGULWPYYGQCFMP-CEAXSRTFSA-N
norman_susdat_id: NS00075867
smiles: O[C@H]([C@@H](O)C(O)=O)C(O)=O.COCCC1=CC=C(OCC(O)CNC(C)C)C=C1.COCCC1=CC=C(OCC(O)CNC(C)C)C=C1
inchi:
InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1


name: N-[4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]phenyl]acetamide
cas: 56395-29-0
dtxsid: DTXSID2069101
formula: C21H19N5O2
inchikey: PXZNMDUMLOIFTI-UHFFFAOYSA-N
norman_susdat_id: NS00054216
pubchem_cid: 91834
smiles: O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2C)C=C1)C
inchi:
InChI=1/C21H19N5O2/c1-14-13-19(25-23-18-7-10-20(28)11-8-18)9-12-21(14)26-24-17-5-3-16(4-6-17)22-15(2)27/h3-13,28H,1-2H3,(H,22,27)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-
cas: 56396-10-2
chemspiderid: 7850532
dtxsid: DTXSID2069103
formula: C25H20N4O4
inchikey: LFFICOHZNUVGRZ-UHFFFAOYSA-N
norman_susdat_id: NS00020429
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)N)cc(cc1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C25H20N4O4/c1-33-21-12-11-16(25(32)27-17-8-3-2-4-9-17)14-20(21)28-29-22-18-10-6-5-7-15(18)13-19(23(22)30)24(26)31/h2-14,28H,1H3,(H2,26,31)(H,27,32)/b29-22-


name: Bis[4-[2-hydroxy-3-(isopropylamino)propoxy]-2-methyl-1H-indole] sulphate
cas: 56396-94-2
formula: C15H22N2O2.1/2H2O4S
inchikey: JNCGMRYBFJADEW-UHFFFAOYSA-N
norman_susdat_id: NS00086758
smiles: CC(C)NCC(O)COc1cccc2[nH]c(C)cc12.OS(=O)(=O)O
inchi:
InChI=1/C15H22N2O2.H2O4S/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14;1-5(2,3)4/h4-7,10,12,16-18H,8-9H2,1-3H3;(H2,1,2,3,4)


name: 11-Keto-testosterone
cas: 564-35-2
chebiid: CHEBI:34133
chemspiderid: 3495254
dtxsid: DTXSID8036499
formula: C19H26O3
inchikey: WTPMRQZHJLJSBO-XQALERBDSA-N
norman_susdat_id: NS00018374
pubchem_cid: 5282365
smiles: CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4O)C
inchi:
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1


name: Ergocornine
cas: 564-36-3
chebiid: CHEBI:4820
formula: C31H39N5O5
inchikey: UJYGDMFEEDNVBF-OGGGUQDZSA-N
norman_susdat_id: NS00079758
inchi:
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)

smiles:
CC(C)[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C


name: Honokiol
cas: 564-73-8
chebiid: CHEBI:5759
chemspiderid: 65254
dtxsid: DTXSID30188845
formula: C18H18O2
inchikey: FVYXIJYOAGAUQK-UHFFFAOYSA-N
norman_susdat_id: NS00011726
pubchem_cid: 72303
smiles: C=CCc1ccc(c(c1)c2ccc(c(c2)CC=C)O)O
inchi:
InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2


name: Tetrasodium [(butylimino)bis(methylene)]bisphosphonate
cas: 56401-97-9
formula: C6H17NO6P2.4Na
inchikey: OUUDQFHHBQUSSY-UHFFFAOYSA-J
norman_susdat_id: NS00087677
smiles: [Na+].[Na+].[Na+].[Na+].CCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C6H17NO6P2.4Na/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13;;;;/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4


name: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[(4-aminophenyl)azo]-5-hydroxy-
cas: 56405-32-4
chemspiderid: 5289585
dtxsid: DTXSID7069104
formula: C22H19N7O7S2
inchikey: MWGYDKYSOKEURI-UHFFFAOYSA-N
norman_susdat_id: NS00033517
pubchem_cid: NA
smiles: Nc1ccc(N/N=C/2C(=O)c3c(N)c(N=Nc4ccc(N)cc4)c(cc3C=C2S(=O)(=O)O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C22H19N7O7S2/c23-12-1-5-14(6-2-12)26-28-20-16(37(31,32)33)9-11-10-17(38(34,35)36)21(22(30)18(11)19(20)25)29-27-15-7-3-13(24)4-8-15/h1-10,27H,23-25H2,(H,31,32,33)(H,34,35,36)/b28-26+,29-21-


name: 12,12,23,23-tetramethyl-2,5,8,11,13,16,19,22,24,27,30,33-dodecaoxa-12,23-disilatetratriacontane
cas: 56408-81-2
dtxsid: DTXSID70204977
formula: C24H54O12Si2
inchikey: NTFILZVGGBFLNO-UHFFFAOYSA-N
norman_susdat_id: NS00053783
pubchem_cid: 91843
smiles: O(C)CCOCCOCCO[Si](OCCOCCOCCO[Si](OCCOCCOCCOC)(C)C)(C)C
inchi:
InChI=1/C24H54O12Si2/c1-25-7-9-27-11-13-29-17-21-33-37(3,4)35-23-19-31-15-16-32-20-24-36-38(5,6)34-22-18-30-14-12-28-10-8-26-2/h7-24H2,1-6H3


name: 1-methyl-1,2-ethanediyl bis[12-hydroxy-9-octadecenoate]
cas: 56414-56-3
formula: C39H72O6
inchikey: OMERZWZBMKPVFL-UHFFFAOYSA-N
norman_susdat_id: NS00054157
pubchem_cid: 91845
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCC(O)CCCCCC)C)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C39H72O6/c1-4-6-8-22-28-36(40)30-24-18-14-10-12-16-20-26-32-38(42)44-34-35(3)45-39(43)33-27-21-17-13-11-15-19-25-31-37(41)29-23-9-7-5-2/h18-19,24-25,35-37,40-41H,4-17,20-23,26-34H2,1-3H3


name: 1-(2-hydroxyethyl)-3-(tetradecenyl)pyrrolidine-2,5-dione
cas: 56418-17-8
formula: C20H35NO3
inchikey: IZWYOWSXBHHHGW-UHFFFAOYSA-N
norman_susdat_id: NS00054217
pubchem_cid: 53422062
smiles: O=C1N(C(=O)C(C=CCCCCCCCCCCCC)C1)CCO
inchi:
InChI=1/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h13-14,18,22H,2-12,15-17H2,1H3


cas: 56418-72-5
dtxsid: DTXSID2069107
formula: C49H35Cl2N7O5
inchikey: JEHUFDCZTMGLEA-UHFFFAOYSA-N
norman_susdat_id: NS00054159
pubchem_cid: NA
name:
4-[(3-chloro-2-methylphenyl)azo]-N-[4-[[[4-[[[4-[(3-chloro-2-methylphenyl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]amino]carbonyl]phenyl]-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C49H35Cl2N7O5/c1-27-39(50)13-7-15-41(27)55-57-43-35-11-5-3-9-30(35)25-37(45(43)59)48(62)53-32-19-17-29(18-20-32)47(61)52-33-21-23-34(24-22-33)54-49(63)38-26-31-10-4-6-12-36(31)44(46(38)60)58-56-42-16-8-14-40(51)28(42)2/h3-26,59-60H,1-2H3,(H,52,61)(H,53,62)(H,54,63)

smiles:
O=C(NC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC=4C=CC=C(Cl)C4C)=C2O)C5=CC=C(C=C5)NC(=O)C6=CC=7C=CC=CC7C(N=NC=8C=CC=C(Cl)C8C)=C6O


name: Dibenzofuran-2,8-bis(sulphonohydrazide)
cas: 56418-85-0
dtxsid: DTXSID30971850
formula: C12H12N4O5S2
inchikey: UIUWCVSRSKMUET-UHFFFAOYSA-N
norman_susdat_id: NS00055136
pubchem_cid: 91848
smiles: O=S(=O)(NN)C=1C=CC=2OC3=CC=C(C=C3C2C1)S(=O)(=O)NN
inchi:
InChI=1/C12H12N4O5S2/c13-15-22(17,18)7-1-3-11-9(5-7)10-6-8(23(19,20)16-14)2-4-12(10)21-11/h1-6,15-16H,13-14H2


name: Flurprimidol
cas: 56425-91-3
chebiid: CHEBI:81765
chemspiderid: 66319
dtxsid: DTXSID3024108
formula: C15H15F3N2O2
inchikey: VEVZCONIUDBCDC-UHFFFAOYSA-N
norman_susdat_id: NS00006885
pubchem_cid: 73668
smiles: CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1
inchi:
InChI=1S/C15H15F3N2O2/c1-10(2)14(21,12-7-19-9-20-8-12)11-3-5-13(6-4-11)22-15(16,17)18/h3-10,21H,1-2H3


name: Disodium 4-amino-5-hydroxy-3-(4-nitrophenylazo)naphthalene-2,7-disulphonate
cas: 56431-61-9
dtxsid: DTXSID30889769
formula: C16H13N4O9S2
inchikey: XCFVSYWEMCQEOH-UHFFFAOYSA-L
norman_susdat_id: NS00053812
pubchem_cid: NA
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H12N4O9S2.2Na/c17-15-14-8(5-11(7-12(14)21)30(24,25)26)6-13(31(27,28)29)16(15)19-18-9-1-3-10(4-2-9)20(22)23;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Benzyl p-(benzyloxy)benzoate
cas: 56442-22-9
chemspiderid: 82946
dtxsid: DTXSID30204998
formula: C21H18O3
inchikey: BPLKDVGMXNZCQO-UHFFFAOYSA-N
norman_susdat_id: NS00033522
pubchem_cid: 91863
smiles: O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
inchi:
InChI=1S/C21H18O3/c22-21(24-16-18-9-5-2-6-10-18)19-11-13-20(14-12-19)23-15-17-7-3-1-4-8-17/h1-14H,15-16H2


name: 1-(3-chloro-4-methylphenyl)-3-{2-[({5-[(dimethylamino)methyl]-2-furyl}methyl)thio]ethyl}urea
cas: 564475-13-4
formula: C18H24ClN3O2S
inchikey: WEYNBWVKOYCCQT-UHFFFAOYSA-N
norman_susdat_id: NS00069736
pubchem_cid: 5082818
smiles: Cc1ccc(NC(=O)NCCSCc2ccc(CN(C)C)o2)cc1Cl
inchi:
InChI=1S/C18H24ClN3O2S/c1-13-4-5-14(10-17(13)19)21-18(23)20-8-9-25-12-16-7-6-15(24-16)11-22(2)3/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,21,23)


name: Methyloctadecylbenzenesulphonic acid
cas: 56448-49-8
formula: C25H44O3S
inchikey: ZRPKAINKWDGAFV-UHFFFAOYSA-N
norman_susdat_id: NS00055137
pubchem_cid: 3024137
smiles: O=S(=O)(O)C=1C=CC=CC1C(C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23(2)24-21-18-19-22-25(24)29(26,27)28/h18-19,21-23H,3-17,20H2,1-2H3,(H,26,27,28)


name: N-({(1r)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-l-glutamic acid
cas: 564482-79-7
formula: C16H19FN2O7S
inchikey: IDTMSHGCAZPVLC-RYUDHWBXSA-N
norman_susdat_id: NS00072367
pubchem_cid: 25113157
smiles: O=C(O)CC[C@H](NC(=O)N[C@@H](CSCc1ccc(F)cc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C16H19FN2O7S/c17-10-3-1-9(2-4-10)7-27-8-12(15(24)25)19-16(26)18-11(14(22)23)5-6-13(20)21/h1-4,11-12H,5-8H2,(H,20,21)(H,22,23)(H,24,25)(H2,18,19,26)/t11-,12-/m0/s1


name: SUCROSE POLYLINOLE- ATE
cas: 56449-51-5
chemspiderid: 4955725
formula: C30H52O12
inchikey: PACMATUKLHXEAV-HZJYTTRNSA-N
norman_susdat_id: NS00014141
pubchem_cid: NA
inchi:
InChI=1S/C30H52O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)42-30(28(39)26(37)24(35)21(18-31)41-30)29(20-33)27(38)25(36)22(19-32)40-29/h6-7,9-10,21-22,24-28,31-33,35-39H,2-5,8,11-20H2,1H3/b7-6-,10-9-/t21-,22-,24-,25-,26+,27+,28-,29+,30+/m1/s1

smiles:
CCCCCC=C/C/C=CCCCCCCCC(=O)O[C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O


name: Sorbitan stearic acid ester
cas: 56451-84-4
chemspiderid: NA
dtxsid: DTXSID40872900
formula: C31H61N1O4
inchikey: KGUHWHHMNQPSRV-UHFFFAOYSA-N
norman_susdat_id: NS00002146
pubchem_cid: 21885088
smiles: CCCCCCCCCCCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
inchi:
InChI=1S/C31H61NO4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(33)36-27-24-29(2,3)32(30(4,5)25-27)35-26-31(6,7)34/h27,34H,8-26H2,1-7H3


name: 4-O-ß-D-galactopyranosyl-D-glucitol monopalmitate
cas: 56453-22-6
dtxsid: DTXSID10971873
formula: C28H54O12
inchikey: QDHVAJSLNZWMPL-RHWSCGTFSA-N
norman_susdat_id: NS00054265
pubchem_cid: 21116764
smiles: O=C(OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)CCCCCCCCCCCCCCC
inchi:
InChI=1/C28H54O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(33)38-18-20(32)23(34)27(19(31)16-29)40-28-26(37)25(36)24(35)21(17-30)39-28/h19-21,23-32,34-37H,2-18H2,1H3


cas: 56469-15-9
chemspiderid: 36449
dtxsid: DTXSID30205021
formula: C24H36O3
inchikey: GECBBEABIDMGGL-MOPGFXCFSA-N
norman_susdat_id: NS00033524
pubchem_cid: 91906
smiles: CCCCCCC(C)(C)c1cc2c([C@@H]3CC(=O)CC[C@@H]3C(C)(C)O2)c(O)c1
name:
cis-(1)-3-(1,1-Dimethylheptyl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo(b,d)pyran-9-one

inchi:
InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19+/m1/s1


name: Ethyl N-[[1-(1-methylpropyl)cycloheptyl]carbonyl]glycinate
cas: 56471-41-1
dtxsid: DTXSID00971882
formula: C16H29NO3
inchikey: IQLBHPALSIJIPG-UHFFFAOYSA-N
norman_susdat_id: NS00055157
pubchem_cid: 91877
smiles: O=C(OCC)CNC(=O)C1(CCCCCC1)C(C)CC
inchi:
InChI=1/C16H29NO3/c1-4-13(3)16(10-8-6-7-9-11-16)15(19)17-12-14(18)20-5-2/h13H,4-12H2,1-3H3,(H,17,19)


name: 1-sec-butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide
cas: 56471-42-2
dtxsid: DTXSID60971883
formula: C16H31NO2
inchikey: CFPRLPOHLDRYIP-UHFFFAOYSA-N
norman_susdat_id: NS00053815
pubchem_cid: 91878
smiles: O=C(NC(C)(C)CO)C1(CCCCCC1)C(C)CC
inchi:
InChI=1/C16H31NO2/c1-5-13(2)16(10-8-6-7-9-11-16)14(19)17-15(3,4)12-18/h13,18H,5-12H2,1-4H3,(H,17,19)


name: Ethyl N-(2-isopropylcycloheptanecarbonyl)glycinate
cas: 56471-45-5
dtxsid: DTXSID40971886
formula: C15H27NO3
inchikey: FOLFMQFDEHZBRV-UHFFFAOYSA-N
norman_susdat_id: NS00054284
pubchem_cid: 91880
smiles: O=C(OCC)CNC(=O)C1CCCCCC1C(C)C
inchi:
InChI=1/C15H27NO3/c1-4-19-14(17)10-16-15(18)13-9-7-5-6-8-12(13)11(2)3/h11-13H,4-10H2,1-3H3,(H,16,18)


name: Ethyl N-(1-isopropyl-2-methylcycloheptanecarbonyl)glycinate
cas: 56471-48-8
dtxsid: DTXSID20971889
formula: C16H29NO3
inchikey: IMFCJDMCTVMSKP-UHFFFAOYSA-N
norman_susdat_id: NS00054286
pubchem_cid: 91883
smiles: O=C(OCC)CNC(=O)C1(CCCCCC1C)C(C)C
inchi:
InChI=1/C16H29NO3/c1-5-20-14(18)11-17-15(19)16(12(2)3)10-8-6-7-9-13(16)4/h12-13H,5-11H2,1-4H3,(H,17,19)


name: 1-(Isopropyl)-N-(4-methoxy-2-methylphenyl)cycloheptanecarboxamide
cas: 56471-69-3
chemspiderid: 82967
dtxsid: DTXSID10205024
formula: C19H29N1O2
inchikey: YSCNEKGZQWJYEE-UHFFFAOYSA-N
norman_susdat_id: NS00033527
pubchem_cid: 91884
smiles: COc1cc(C)c(NC(=O)C2(CCCCCC2)C(C)C)cc1
inchi:
InChI=1S/C19H29NO2/c1-14(2)19(11-7-5-6-8-12-19)18(21)20-17-10-9-16(22-4)13-15(17)3/h9-10,13-14H,5-8,11-12H2,1-4H3,(H,20,21)


name: N-Cyclopentyl-1-isopropylcycloheptanecarboxamide
cas: 56471-70-6
chemspiderid: 82968
dtxsid: DTXSID70205025
formula: C16H29N1O1
inchikey: NUTMIYRXXQBCST-UHFFFAOYSA-N
norman_susdat_id: NS00033528
pubchem_cid: 91885
smiles: CC(C)C1(CCCCCC1)C(=O)NC1CCCC1
inchi:
InChI=1S/C16H29NO/c1-13(2)16(11-7-3-4-8-12-16)15(18)17-14-9-5-6-10-14/h13-14H,3-12H2,1-2H3,(H,17,18)


name: Undecanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 56479-48-2
formula: C11H22O2.C6H15NO3
inchikey: YUGQAXMSFXLTRQ-UHFFFAOYSA-N
norman_susdat_id: NS00086805
smiles: CCCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C11H22O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2-10H2,1H3,(H,12,13);8-10H,1-6H2


name: Sodium 3-[2-(4,5-dihydro-2-octyl-1H-imidazol-1-yl)ethoxy]propionate
cas: 56484-15-2
dtxsid: DTXSID1069110
formula: C16H30N2O3
inchikey: ZNFTWFNXQBAHJI-UHFFFAOYSA-M
norman_susdat_id: NS00053817
pubchem_cid: 91887
smiles: [Na+].O=C([O-])CCOCCN1C(=NCC1)CCCCCCCC
inchi:
InChI=1/C16H30N2O3.Na/c1-2-3-4-5-6-7-8-15-17-10-11-18(15)12-14-21-13-9-16(19)20;/h2-14H2,1H3,(H,19,20);/q;+1/p-1


name: 4-O-ß-D-galactopyranosyl-D-glucitol stearate
cas: 56487-84-4
dtxsid: DTXSID40971907
formula: C30H58O12
inchikey: IIYLMAIPMPRBFH-BGHSNXIRSA-N
norman_susdat_id: NS00054210
pubchem_cid: 21116767
smiles: O=C(OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H58O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(35)40-20-22(34)25(36)29(21(33)18-31)42-30-28(39)27(38)26(37)23(19-32)41-30/h21-23,25-34,36-39H,2-20H2,1H3


name: Disodium 4,4'-azobis[4-cyanovalerate]
cas: 56496-86-7
formula: C12H16N4O4.xNa
inchikey: ICCKYZGDUAOTHD-UHFFFAOYSA-L
norman_susdat_id: NS00086846
smiles: [Na+].[Na+].[O-]C(=O)CCC(C)(N=NC(C)(CCC([O-])=O)C#N)C#N
inchi:
InChI=1/C12H16N4O4.2Na/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20;;/h3-6H2,1-2H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: 7-amino-4-hydroxy-3-[[2-sulpho-4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid
cas: 56499-46-8
formula: C22H17N5O10S3
inchikey: KJGZONUYPWSTFF-UHFFFAOYSA-N
norman_susdat_id: NS00053860
pubchem_cid: 3017032
smiles: O=S(=O)(O)C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)O)C(=C2)S(=O)(=O)O)C=C1
inchi:
InChI=1/C22H17N5O10S3/c23-13-1-7-17-12(9-13)10-20(40(35,36)37)21(22(17)28)27-26-18-8-4-15(11-19(18)39(32,33)34)25-24-14-2-5-16(6-3-14)38(29,30)31/h1-11,28H,23H2,(H,29,30,31)(H,32,33,34)(H,35,36,37)


name: Metahexamide
cas: 565-33-3
chebiid: CHEBI:135328
chemspiderid: 10785
dtxsid: DTXSID3023267
formula: C14H21N3O3S1
inchikey: XXYTXQGCRQLRHA-UHFFFAOYSA-N
norman_susdat_id: NS00033536
pubchem_cid: 11259
smiles: Cc1c(N)cc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
inchi:
InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)


name: 9,10-Anthracenedione, 1-[(3-hydroxypropyl)amino]-4-(methylamino)-
cas: 56504-94-0
chemspiderid: 82976
dtxsid: DTXSID1069112
formula: C18H18N2O3
inchikey: AWFZMEBVAIDNSS-UHFFFAOYSA-N
norman_susdat_id: NS00033531
pubchem_cid: 91894
smiles: CNc1ccc(NCCCO)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C18H18N2O3/c1-19-13-7-8-14(20-9-4-10-21)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,19-21H,4,9-10H2,1H3


name: Zinc bis[butylbenzoate]
cas: 56507-10-9
dtxsid: DTXSID30890890
formula: C11H14O2
inchikey: YCJZPPOCCOJUGU-UHFFFAOYSA-L
norman_susdat_id: NS00054273
pubchem_cid: 171525
smiles: [Zn+2].O=C([O-])C=1C=CC=CC1CCCC.O=C([O-])C=1C=CC=CC1CCCC
inchi:
InChI=1/2C11H14O2.Zn/c2*1-2-3-6-9-7-4-5-8-10(9)11(12)13;/h2*4-5,7-8H,2-3,6H2,1H3,(H,12,13);/q;;+2/p-2


name: Hexanedioic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
cas: 56509-15-0
dtxsid: DTXSID50971958
formula: C16H30O10
inchikey: NDEUMYVIGDLDIB-UHFFFAOYSA-N
norman_susdat_id: NS00055203
pubchem_cid: 87309735
smiles: O=C(O)CCCCC(=O)OCC(CO)(CO)COCC(CO)(CO)CO
inchi:
InChI=1/C16H30O10/c17-5-15(6-18,7-19)10-25-11-16(8-20,9-21)12-26-14(24)4-2-1-3-13(22)23/h17-21H,1-12H2,(H,22,23)


name: 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride
cas: 56518-40-2
formula: C13H15BrN4O2.xClH
inchikey: MKXLZXVWTRKRGJ-UHFFFAOYSA-N
norman_susdat_id: NS00087238
smiles: Cl.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1Br
inchi:
InChI=1/C13H15BrN4O2.ClH/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15;/h4-6H,3H2,1-2H3,(H4,15,16,17,18);1H


name: Brodimoprim
cas: 56518-41-3
chebiid: CHEBI:131726
chemspiderid: 62004
dtxsid: DTXSID20205070
formula: C13H15Br1N4O2
inchikey: BFCRRLMMHNLSCP-UHFFFAOYSA-N
norman_susdat_id: NS00033532
pubchem_cid: 68760
smiles: COc1cc(Cc2c(N)nc(N)nc2)cc(OC)c1Br
inchi:
InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-Hexacosafluorotetradec-7-ene
cas: 56523-43-4
dtxsid: DTXSID60895530
formula: C14H2F26
inchikey: SFEKJPRYZMFTFH-UHFFFAOYSA-N
norman_susdat_id: NS00111052
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H2F26/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H


name: 9,10-Anthracenedione, 4,5-bis(methylamino)-1,8-dihydroxy-
cas: 56524-76-6
chemspiderid: 82983
dtxsid: DTXSID40205077
formula: C16H14N2O4
inchikey: GCAWNTQAMNBDAY-UHFFFAOYSA-N
norman_susdat_id: NS00020318
pubchem_cid: 91903
smiles: CNc1ccc(O)c2c1C(=O)c1c(NC)ccc(O)c1C2=O
inchi:
InChI=1S/C16H14N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18-2)4-6-10(20)14(12)16(13)22/h3-6,17-20H,1-2H3


name: 9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-(methylamino)-
cas: 56524-77-7
chemspiderid: 82984
dtxsid: DTXSID1069114
formula: C15H12N2O4
inchikey: UHEWQMYKNNPODZ-UHFFFAOYSA-N
norman_susdat_id: NS00022389
pubchem_cid: 91904
smiles: CNc1ccc(O)c2c1C(=O)c1c(c(O)ccc1N)C2=O
inchi:
InChI=1S/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)14(20)10-6(16)2-4-8(18)12(10)15(13)21/h2-5,17-19H,16H2,1H3


name: Bis[2-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]ethyl] 3,3'-thiobispropionate
cas: 56525-25-8
dtxsid: DTXSID30886197
formula: C38H58O6S
inchikey: BLJQWZOMWAIKOE-UHFFFAOYSA-N
norman_susdat_id: NS00054756
pubchem_cid: 108783
smiles: O=C(OCCC=1C=C(C(O)=C(C1)C(C)(C)C)C(C)(C)C)CCSCCC(=O)OCCC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C38H58O6S/c1-35(2,3)27-21-25(22-28(33(27)41)36(4,5)6)13-17-43-31(39)15-19-45-20-16-32(40)44-18-14-26-23-29(37(7,8)9)34(42)30(24-26)38(10,11)12/h21-24,41-42H,13-20H2,1-12H3


name: 4-(1,3-diphenylbutyl)-o-xylene
cas: 56525-86-1
dtxsid: DTXSID90886198
formula: C24H26
inchikey: LWURZOGQVAFYIE-UHFFFAOYSA-N
norman_susdat_id: NS00056084
pubchem_cid: 108370
smiles: C=1C=CC(=CC1)C(C2=CC=C(C(=C2)C)C)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-18-14-15-23(16-19(18)2)24(22-12-8-5-9-13-22)17-20(3)21-10-6-4-7-11-21/h4-16,20,24H,17H2,1-3H3


name: Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(dipropylamino)phenyl]-
cas: 56532-53-7
chemspiderid: 83458
dtxsid: DTXSID1069116
formula: C22H23N7O3
inchikey: BRFLEIZLMZUSSP-UHFFFAOYSA-N
norman_susdat_id: NS00033535
pubchem_cid: 92440
smiles: CCCN(CCC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])C#N
inchi:
InChI=1S/C22H23N7O3/c1-4-8-28(9-5-2)18-6-7-20(21(12-18)25-15(3)30)26-27-22-16(13-23)10-19(29(31)32)11-17(22)14-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,25,30)/b27-26+


name: 2-(3-butoxypropyl)-10-chlorobenzimidazo[2,1-b]benzo[lmn][3,8]phenanthroline-1,3,6(2H)-trione
cas: 56532-67-3
dtxsid: DTXSID80971981
formula: C27H22ClN3O4
inchikey: FMOOUOXPMHKXAV-UHFFFAOYSA-N
norman_susdat_id: NS00055223
pubchem_cid: 92441
smiles: O=C1C2=CC=C3C(=O)N(C(=O)C=4C=CC(C5=NC6=CC(Cl)=CC=C6N15)=C2C34)CCCOCCCC
inchi:
InChI=1/C27H22ClN3O4/c1-2-3-12-35-13-4-11-30-25(32)17-7-6-16-22-19(9-8-18(23(17)22)26(30)33)27(34)31-21-10-5-15(28)14-20(21)29-24(16)31/h5-10,14H,2-4,11-13H2,1H3


name: URB602
cas: 565460-15-3
chemspiderid: 8284080
dtxsid: DTXSID90450611
formula: C19H21N1O2
inchikey: HHVUFQYJOSFTEH-UHFFFAOYSA-N
norman_susdat_id: NS00017929
pubchem_cid: 10979337
smiles: C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3
inchi:
InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)


name: Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diethylamino)-4-methoxyphenyl]-
cas: 56548-64-2
chemspiderid: 83464
dtxsid: DTXSID6069117
formula: C19H21Br1N6O6
inchikey: QRKGKRSGMAWUMO-UHFFFAOYSA-N
norman_susdat_id: NS00020096
pubchem_cid: 92446
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C19H21BrN6O6/c1-5-24(6-2)16-9-14(21-11(3)27)15(10-18(16)32-4)22-23-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10H,5-6H2,1-4H3,(H,21,27)/b23-22+


cas: 56548-81-3
formula: C56H40Cl2N20O26S8
inchikey: GOAZAAHFBGSCRS-UHFFFAOYSA-N
norman_susdat_id: NS00055167
pubchem_cid: NA
name:
3,3'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-3,1-phenylene)azo]]bis[5-amino-4-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic] acid

inchi:
InChI=1/C56H40Cl2N20O26S8/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70)

smiles:
O=S(=O)(O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC(=CC=C4S(=O)(=O)O)NC5=NC(Cl)=NC(=N5)NC6=CC=CC(=C6)NC=7N=C(Cl)N=C(N7)NC8=CC=C(C(N=NC9=C(O)C=%10C(C=C9S(=O)(=O)O)=CC(=C(N=NC%11=CC=C(C=C%11)S(=O)(=O)O)C%10N)S(=O)(=O)O)=C8)S(=O)(=O)O)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1


name: Methyl Perfluorododecanoate
cas: 56554-52-0
dtxsid: DTXSID60338250
formula: C13H3F23O2
inchikey: ABNZIVVYHQYSLI-UHFFFAOYSA-N
norman_susdat_id: NS00110866
smiles: COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H3F23O2/c1-38-2(37)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1H3


name: propane-1,2,3-triyl 3,5,5-trimethylhexanoate
cas: 56554-53-1
chemspiderid: 83465
formula: C30H56O6
inchikey: QNESDXMHQYMNGD-UHFFFAOYSA-N
norman_susdat_id: NS00007671
pubchem_cid: 92447
smiles: CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
inchi:
InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3


name: Methylenebis[(2-methyl-4,1-cyclohexanediyl)iminocarbonyloxy(1-methyl-2,1-ethanediyl)] diacrylate
cas: 56558-21-5
dtxsid: DTXSID50971998
formula: C29H46N2O8
inchikey: PEZCIMHTNYHOSQ-UHFFFAOYSA-N
norman_susdat_id: NS00056140
pubchem_cid: NA
smiles: O=C(OC(C)COC(=O)NC1CCC(CC1C)CC2(NC(=O)OCC(OC(=O)C=C)C)CCCCC2C)C=C
inchi:
InChI=1/C29H46N2O8/c1-7-25(32)38-21(5)17-36-27(34)30-24-13-12-23(15-19(24)3)16-29(14-10-9-11-20(29)4)31-28(35)37-18-22(6)39-26(33)8-2/h7-8,19-24H,1-2,9-18H2,3-6H3,(H,30,34)(H,31,35)


name: 4-[(4-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
cas: 5656-10-0
dtxsid: DTXSID30884178
formula: C16H13N5O9S2
inchikey: BJJABVALSYRXKL-UHFFFAOYSA-N
norman_susdat_id: NS00046015
pubchem_cid: 165332
smiles: O=C(O)C1=NN(C(=O)C1N=NC2=CC=C(N)C=C2S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)O
inchi:
InChI=1/C16H13N5O9S2/c17-8-1-6-11(12(7-8)32(28,29)30)18-19-13-14(16(23)24)20-21(15(13)22)9-2-4-10(5-3-9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)


name: Cefsumide
cas: 56564-72-8
chemspiderid: 61968
formula: C17H20N4O6S2
inchikey: OFKRKCHCYWQZLY-XHBSWPGZSA-N
norman_susdat_id: NS00011595
pubchem_cid: 68718
smiles: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3cccc(c3)NS(=O)(=O)C)N)SC1)C(=O)O
inchi:
InChI=1S/C17H20N4O6S2/c1-8-7-28-16-12(15(23)21(16)13(8)17(24)25)19-14(22)11(18)9-4-3-5-10(6-9)20-29(2,26)27/h3-6,11-12,16,20H,7,18H2,1-2H3,(H,19,22)(H,24,25)/t11-,12-,16-/m1/s1


name: 1-[4-(5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)butyl]-3-phenylthiourea
cas: 5657-26-1
formula: C20H22N4OS2
inchikey: BUPYRERCBPFRFM-UHFFFAOYSA-N
norman_susdat_id: NS00046016
pubchem_cid: NA
smiles: O=C1N(C=2C=CC=CC2)C(=S)NC1CCCCNC(=S)NC=3C=CC=CC3
inchi:
InChI=1/C20H22N4OS2/c25-18-17(23-20(27)24(18)16-11-5-2-6-12-16)13-7-8-14-21-19(26)22-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,23,27)(H2,21,22,26)


name: Panacaine hydrochloride
cas: 56583-43-8
dtxsid: DTXSID80205137
formula: C20H26ClNO2
inchikey: HWDXMCUKRADNLV-UHFFFAOYSA-N
norman_susdat_id: NS00076416
smiles: Cl.C(CN1CCOCC1)CC1=CC=C(COC2=CC=CC=C2)C=C1
inchi:
InChI=1S/C20H25NO2.ClH/c1-2-6-20(7-3-1)23-17-19-10-8-18(9-11-19)5-4-12-21-13-15-22-16-14-21;/h1-3,6-11H,4-5,12-17H2;1H


name: Tetrapotassium 4,4'-carbonylbisphthalate
cas: 56585-48-9
formula: C17H10O9.4K
inchikey: ZTGFLACFCSNWJK-UHFFFAOYSA-J
norman_susdat_id: NS00087736
smiles: [K+].[K+].[K+].[K+].[O-]C(=O)c1ccc(cc1C(=O)[O-])C(=O)c2ccc(C(=O)[O-])c(c2)C(=O)[O-]
inchi:
InChI=1/C17H10O9.4K/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26;;;;/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26);;;;/q;4*+1/p-4


name: Efrotomycin
cas: 56592-32-6
chemspiderid: 4940713
formula: C59H88N2O20
inchikey: UKJUBQQKUQHKQI-OUYMVFBDSA-N
norman_susdat_id: NS00004007
pubchem_cid: NA
inchi:
InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,64-68,70-71H,16,29H2,1-14H3,(H,60,69)/b17-15+,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+

smiles:
CCC(C(=O)NCC=CC=C(/C)C(OC)C(C)C1OC(C=CC=CC=C(/C)C(=O)c2c(O)n(C)ccc2=O)C(O)C1O)C1(O)OC(C=CC=CC)C(C)(C)C(OC2OC(C)C(OC3OC(C)C(OC)C(O)C3OC)C(OC)C2O)C1O


name: 7beta-hydroxycholesterol
cas: 566-27-8
chebiid: CHEBI:42989
dtxsid: DTXSID60862207
formula: C27H46O2
inchikey: OYXZMSRRJOYLLO-KGZHIOMZSA-N
norman_susdat_id: NS00069996
pubchem_cid: 473141
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O
inchi:
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1


name: 4-Hydroxyandrostenedione
cas: 566-48-3
chebiid: CHEBI:75172
chemspiderid: 10799
dtxsid: DTXSID3034113
formula: C19H26O3
inchikey: OSVMTWJCGUFAOD-KZQROQTASA-N
norman_susdat_id: NS00009015
pubchem_cid: 11273
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,22H,3-10H2,1-2H3/t11-,12-,13-,18+,19-/m0/s1


name: 5α-Pregnan-3,20-dione
cas: 566-65-4
chebiid: CHEBI:28952
chemspiderid: 83782
formula: C21H32O2
inchikey: XMRPGKVKISIQBV-BJMCWZGWSA-N
norman_susdat_id: NS00014749
pubchem_cid: 92810
smiles: O=C(C)C2C1(CCC4C(C1CC2)CCC3CC(=O)CCC34C)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/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1


name: 16-alpha-Hydroxesteron
cas: 566-76-7
chebiid: CHEBI:776
chemspiderid: 103012
formula: C18H22O3
inchikey: WPOCIZJTELRQMF-QFXBJFAPSA-N
norman_susdat_id: NS00005727
pubchem_cid: 115116
smiles: CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2=O
inchi:
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3


name: 3-ß,21-dihydroxypregn-5-en-20-one 21-acetate
cas: 566-78-9
chebiid: CHEBI:135579
dtxsid: DTXSID60878641
formula: C23H34O4
inchikey: MDJRZSNPHZEMJH-MTMZYOSNSA-N
norman_susdat_id: NS00043316
pubchem_cid: 248856
smiles: O=C(OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C
inchi:
InChI=1/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3


name: 5-alpha-Cholestan-3-one
cas: 566-88-1
chemspiderid: 77468
formula: C27H46O1
inchikey: PESKGJQREUXSRR-UHFFFAOYSA-N
norman_susdat_id: NS00003178
pubchem_cid: 85881
smiles: CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3


name: Cholesta-4,6-dien-3-one
cas: 566-93-8
chebiid: CHEBI:157665
dtxsid: DTXSID10862212
formula: C27H42O
inchikey: XIWMRKFKSRYSIJ-GYKMGIIDSA-N
norman_susdat_id: NS00043317
pubchem_cid: 3034666
smiles: O=C1C=C2C=CC3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C27H42O/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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3


name: 1,3-Diphenyl-2H-cyclopenta(l)phenanthren-2-one
cas: 5660-91-3
chebiid: CHEBI:48304
chemspiderid: 87687
dtxsid: DTXSID10205165
formula: C29H18O1
inchikey: MNSDGJFEKUKHGO-UHFFFAOYSA-N
norman_susdat_id: NS00033549
pubchem_cid: 97140
smiles: O=C1C(=c2c(=C1c1ccccc1)c1c(cccc1)c1ccccc21)c1ccccc1
inchi:
InChI=1S/C29H18O/c30-29-25(19-11-3-1-4-12-19)27-23-17-9-7-15-21(23)22-16-8-10-18-24(22)28(27)26(29)20-13-5-2-6-14-20/h1-18H


name: 1-benzhydrylpiperazinium chloride
cas: 56609-03-1
formula: C17H20N2.ClH
inchikey: DLCXUFKAJDKSDD-UHFFFAOYSA-N
norman_susdat_id: NS00088204
smiles: [Cl-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3
inchi:
InChI=1/C17H20N2.ClH/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;/h1-10,17-18H,11-14H2;1H


name: Cyclopentane-1,1-diacetic anhydride
cas: 5662-95-3
dtxsid: DTXSID20205196
formula: C18H26O7
inchikey: CACMWTCOVZOJTQ-UHFFFAOYSA-N
norman_susdat_id: NS00046784
pubchem_cid: 21115649
smiles: O=C(O)CC1(CC(=O)OC(=O)CC2(CC(=O)O)CCCC2)CCCC1
inchi:
InChI=1/C18H26O7/c19-13(20)9-17(5-1-2-6-17)11-15(23)25-16(24)12-18(10-14(21)22)7-3-4-8-18/h1-12H2,(H,19,20)(H,21,22)


name: 4-cinnamyl-1-[(4-chlorophenyl)benzyl]piperazinium chloride
cas: 56620-35-0
formula: C26H27ClN2
inchikey: ROGHCASIBBIPMB-MLBSPLJJSA-N
norman_susdat_id: NS00056158
pubchem_cid: NA
smiles: [Cl-].ClC1=CC=C(C=C1)C=2C=CC=CC2C[NH+]3CCN(CC=CC=4C=CC=CC4)CC3
inchi:
InChI=1/C26H27ClN2.ClH/c27-25-14-12-23(13-15-25)26-11-5-4-10-24(26)21-29-19-17-28(18-20-29)16-6-9-22-7-2-1-3-8-22;/h1-15H,16-21H2;1H


name: 9,15-octadecadienoic acid, methyl ester
cas: 56630-73-0
dtxsid: DTXSID50880894
formula: C19H34O2
inchikey: OTROKOXHZSGHEN-PMXBNEBOSA-N
norman_susdat_id: NS00096205
smiles: CCC=CCCCCC=CCCCCCCCC(=O)OC
inchi:
InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,10-11H,3,6-9,12-18H2,1-2H3/b5-4+,11-10+


name: 5a,6a-epoxy-3ß,17-dihydroxy-16a-methylpregnan-20-one
cas: 56630-87-6
dtxsid: DTXSID00972071
formula: C22H34O4
inchikey: KJCQIPXVQPRPPF-WOHDBFHPSA-N
norman_susdat_id: NS00056159
pubchem_cid: 22213524
smiles: O=C(C)C1(O)C(C)CC2C3CC4OC54CC(O)CCC5(C)C3CCC21C
inchi:
InChI=1/C22H34O4/c1-12-9-17-15-10-18-21(26-18)11-14(24)5-7-19(21,3)16(15)6-8-20(17,4)22(12,25)13(2)23/h12,14-18,24-25H,5-11H2,1-4H3


name: N-(N-formyl-L-a-aspartyl)-3-phenyl-L-alanine
cas: 56633-51-3
dtxsid: DTXSID20972078
formula: C14H16N2O6
inchikey: WYYUBJAMROQJSF-QWRGUYRKSA-N
norman_susdat_id: NS00055267
pubchem_cid: 92472
smiles: O=CNC(C(=O)NC(C(=O)O)CC=1C=CC=CC1)CC(=O)O
inchi:
InChI=1/C14H16N2O6/c17-8-15-10(7-12(18)19)13(20)16-11(14(21)22)6-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)


name: Bis(decanoato-O)hydroxyaluminium
cas: 56639-50-0
formula: C20H39AlO5
inchikey: JBMLJVQLMILUCO-UHFFFAOYSA-K
norman_susdat_id: NS00088223
smiles: CCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCC
inchi:
InChI=1/2C10H20O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10(11)12;;/h2*2-9H2,1H3,(H,11,12);;1H2/q;;+3;/p-3/rC20H39AlO5/c1-3-5-7-9-11-13-15-17-19(22)25-21(24)26-20(23)18-16-14-12-10-8-6-4-2/h24H,3-18H2,1-2H3


name: Hydroxybis(myristato-O)aluminium
cas: 56639-51-1
formula: C28H55AlO5
inchikey: YNQRLDQNSBVJGU-UHFFFAOYSA-K
norman_susdat_id: NS00087812
smiles: CCCCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;/h2*2-13H2,1H3,(H,15,16);;1H2/q;;+3;/p-3/rC28H55AlO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(30)33-29(32)34-28(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h32H,3-26H2,1-2H3


name: 5-oxo-L-proline, compound with (8a,9R)-cinchonan-9-ol (1:1)
cas: 56652-27-8
formula: C19H22N2O.C5H7NO3
inchikey: IOFJVJGKFAPBNG-IQFOGYGGSA-N
norman_susdat_id: NS00087748
smiles: O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C19H22N2O.C5H7NO3/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;7-4-2-1-3(6-4)5(8)9/h2-7,9,13-14,18-19,22H,1,8,10-12H2;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with (8a,9R)-6'-methoxycinchonan-9-ol (1:1)
cas: 56652-31-4
formula: C20H24N2O2.C5H7NO3
inchikey: HYAFWGYUMDFMRG-FMOUBYBUSA-N
norman_susdat_id: NS00087813
smiles: COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.OC(=O)[C@@H]5CCC(=O)N5
inchi:
InChI=1/C20H24N2O2.C5H7NO3/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;7-4-2-1-3(6-4)5(8)9/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Kalmitoxin I
cas: 56663-60-6
chemspiderid: 44559353
formula: C20H34O7
inchikey: HRJZZHMMTOORSG-BPYSUHJDSA-N
norman_susdat_id: NS00093899
pubchem_cid: 23326875
smiles:
C[C@]1(C[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]([C@@H]4C[C@@H](C([C@]4([C@@H]([C@H]3O)O)O)(C)C)O)(C)O)O


name: 17-hydroxy-16ß-methylpregna-1,4,9(11)-triene-3,20-dione 21-(ethylcarbonate)
cas: 56665-79-3
dtxsid: DTXSID70972109
formula: C25H32O6
inchikey: DADGESXUBSRHSL-UHFFFAOYSA-N
norman_susdat_id: NS00055309
pubchem_cid: NA
smiles: O=C(OCC(=O)C1(O)C(C)CC2C3C(=CCC21C)C4(C=CC(=O)C=C4CC3)C)OCC
inchi:
InChI=1/C25H32O6/c1-5-30-22(28)31-14-21(27)25(29)15(2)12-20-18-7-6-16-13-17(26)8-10-23(16,3)19(18)9-11-24(20,25)4/h8-10,13,15,18,20,29H,5-7,11-12,14H2,1-4H3


name: 1-(methyloctadecylamino)propan-2-ol
cas: 56669-92-2
dtxsid: DTXSID00972112
formula: C22H47NO
inchikey: FIIVRQMXFMRFJI-UHFFFAOYSA-N
norman_susdat_id: NS00054845
pubchem_cid: 92487
smiles: OC(C)CN(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3)21-22(2)24/h22,24H,4-21H2,1-3H3


name: 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolinium dihydrogen phosphate
cas: 5667-46-9
dtxsid: DTXSID40205234
formula: C22H25NO4
inchikey: YZKZXTBSUSEYQZ-UHFFFAOYSA-L
norman_susdat_id: NS00047316
pubchem_cid: 21878
smiles: O=P([O-])([O-])[O-].O(C1=CC2=CC(=[NH+]C(=C2C=C1OC)CC3=CC=C(OCC)C(OC)=C3)C)C
inchi:
InChI=1/C22H25NO4.H3O4P/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18;1-5(2,3)4/h7-9,11-13H,6,10H2,1-5H3;(H3,1,2,3,4)/p-2


cas: 56670-24-7
dtxsid: DTXSID0069121
formula: C29H22N6O6S
inchikey: OOVIVLRCIYZYTO-UHFFFAOYSA-N
norman_susdat_id: NS00055310
pubchem_cid: NA
smiles: O=C(NC1=CC=C(N=NC2=CC=C(O)C=C2)C=C1)C3=CC=C(N=NC4=C(N)C=CC5=CC(=CC(O)=C54)S(=O)(=O)O)C=C3
name:
6-amino-4-hydroxy-5-[[4-[[[4-[(4-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C29H22N6O6S/c30-25-14-3-18-15-24(42(39,40)41)16-26(37)27(18)28(25)35-34-20-4-1-17(2-5-20)29(38)31-19-6-8-21(9-7-19)32-33-22-10-12-23(36)13-11-22/h1-16,36-37H,30H2,(H,31,38)(H,39,40,41)


cas: 56670-26-9
dtxsid: DTXSID60886201
formula: C33H27N9O9S2
inchikey: DHTZJXQLSJCXGW-UHFFFAOYSA-N
norman_susdat_id: NS00055211
pubchem_cid: 171537
name:
p-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C33H27N9O9S2/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51)

smiles:
O=C(NC1=CC=C(N=NC2C(=O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C=C1)C4=CC=C(N=NC5C(=O)N(N=C5C)C6=CC=C(C=C6)S(=O)(=O)O)C=C4


name: 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-5-nitropyrimidine
cas: 56672-87-8
dtxsid: DTXSID20886202
formula: C21H44N3O2
inchikey: LGMAAKQUWQWLTL-UHFFFAOYSA-N
norman_susdat_id: NS00055311
pubchem_cid: 92490
smiles: O=[N+]([O-])C1(C)CN(CN(CC(CC)CCCC)C1)CC(CC)CCCC
inchi:
InChI=1/C21H43N3O2/c1-6-10-12-19(8-3)14-22-16-21(5,24(25)26)17-23(18-22)15-20(9-4)13-11-7-2/h19-20H,6-18H2,1-5H3


cas: 56677-69-1
chemspiderid: 4955760
dtxsid: DTXSID50205240
formula: C51H82N2O6
inchikey: UPVKSNXKHZOFBC-UHFFFAOYSA-N
norman_susdat_id: NS00033563
pubchem_cid: 6453377
name:
Bis(2,2,6,6,-tetramethyl-4-piperidyl) bis((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)malonate

inchi:
InChI=1S/C51H82N2O6/c1-43(2,3)35-21-31(22-36(39(35)54)44(4,5)6)25-51(41(56)58-33-27-47(13,14)52-48(15,16)28-33,42(57)59-34-29-49(17,18)53-50(19,20)30-34)26-32-23-37(45(7,8)9)40(55)38(24-32)46(10,11)12/h21-24,33-34,52-55H,25-30H2,1-20H3

smiles:
CC(C)(C)c1cc(CC(Cc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(C(=O)OC2CC(C)(C)NC(C)(C)C2)C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(c1O)C(C)(C)C


name: mecloxamine
cas: 5668-06-4
chebiid: CHEBI:135360
chemspiderid: 2308147
formula: C19H24Cl1N1O1
inchikey: WILANEPAIMJUCP-UHFFFAOYSA-N
norman_susdat_id: NS00008408
pubchem_cid: 3045406
smiles: CC(CN(C)C)OC(C)(c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3


cas: 56686-90-9
dtxsid: DTXSID60972133
formula: C27H36N4O13S2
inchikey: YBVOYFJRYXRGHG-UHFFFAOYSA-N
norman_susdat_id: NS00056209
pubchem_cid: NA
smiles: O=C(OCC1=C(C(=O)OCOC)N2C(=O)C(OC)(NC(=O)CCCC(NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCOC)C2SC1)N
name:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-methoxy-7-[[6-(methoxymethoxy)-5-[[(4-methylphenyl)sulfonyl]amino]-1,6-dioxohexyl]amino]-8-oxo-, methoxymethyl ester, [6R-[6a,7a,7(R*)]]-

inchi:
InChI=1/C27H36N4O13S2/c1-16-8-10-18(11-9-16)46(37,38)30-19(22(33)43-14-39-2)6-5-7-20(32)29-27(41-4)24(35)31-21(23(34)44-15-40-3)17(12-42-26(28)36)13-45-25(27)31/h8-11,19,25,30H,5-7,12-15H2,1-4H3,(H2,28,36)(H,29,32)


name: Eu(fod)3-d30
cas: 56689-47-5
dtxsid: DTXSID30746888
formula: C30H3D30EuF21O6
inchikey: UDXLMYFGTHAWDC-FONBAFMVSA-N
norman_susdat_id: NS00109896
inchi:
InChI=1S/3C10H11F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/b5-4-;;;/i3*1D3,2D3,3D3,4D;

smiles:
[Eu].[2H]C(=C(O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)C(F)(F)C(F)(F)C(F)(F)F.[2H]C(=C(O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)C(F)(F)C(F)(F)C(F)(F)F.[2H]C(=C(O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Mociprazine
cas: 56693-13-1
formula: C22H32N2O3
inchikey: UWDDRCRFIZGSCD-UHFFFAOYSA-N
norman_susdat_id: NS00054847
pubchem_cid: 68762
smiles: C#CC1(OCC(O)CN2CCN(C=3C=CC=CC3OC)CC2)CCCCC1
inchi:
InChI=1/C22H32N2O3/c1-3-22(11-7-4-8-12-22)27-18-19(25)17-23-13-15-24(16-14-23)20-9-5-6-10-21(20)26-2/h1,5-6,9-10,19,25H,4,7-8,11-18H2,2H3


name: Rosaprostol
cas: 56695-65-9
chebiid: CHEBI:135266
formula: C18H34O3
inchikey: NMAOJFAMEOVURT-RTKIROINSA-N
norman_susdat_id: NS00087749
smiles: CCCCCC[C@H]1CCC(O)[C@@H]1CCCCCCC(=O)O
inchi:
InChI=1/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)


name: Sodium 2-hexyl-5-hydroxycyclopentaneheptanoate
cas: 56695-66-0
formula: C18H34O3.Na
inchikey: ALNUHUMOGUVHIO-UHFFFAOYSA-M
norman_susdat_id: NS00088225
smiles: [Na+].CCCCCCC1CCC(O)C1CCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O3.Na/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21;/h15-17,19H,2-14H2,1H3,(H,20,21);/q;+1/p-1


name: 3a,21-dihydroxy-5a-pregnan-20-one
cas: 567-02-2
chebiid: CHEBI:34461
formula: C21H34O3
inchikey: CYKYBWRSLLXBOW-GDYGHMJCSA-N
norman_susdat_id: NS00043318
pubchem_cid: 101771
smiles: O=C(CO)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
inchi:
InChI=1/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3


name: Cholesta-3,5-dien-7-one
cas: 567-72-6
dtxsid: DTXSID10972143
formula: C27H42O
inchikey: TTXJJFWWNDJDNR-CZRUWHASSA-N
norman_susdat_id: NS00043319
pubchem_cid: 5283627
smiles: O=C1C=C2C=CCCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCCC(C)C
inchi:
InChI=1/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3


name: 4-hydroxy-a-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxo-2H-1-benzopyran-3-acetic acid
cas: 567-83-9
dtxsid: DTXSID40205259
formula: C20H12O8
inchikey: NEDXBAMFCBNKIB-UHFFFAOYSA-N
norman_susdat_id: NS00042826
pubchem_cid: 54682149
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C(=O)O)C=3C(=O)OC=4C=CC=CC4C3O
inchi:
InChI=1/C20H12O8/c21-16-9-5-1-3-7-11(9)27-19(25)14(16)13(18(23)24)15-17(22)10-6-2-4-8-12(10)28-20(15)26/h1-8,13,21-22H,(H,23,24)


name: 4,5-Dihydroxy-2-hydroxymethyl-1,3,6,8-tetranitroanthraquinone
cas: 567-95-3
chemspiderid: 4576567
dtxsid: DTXSID50205260
formula: C15H6N4O13
inchikey: QFCNNIIPXGJBQT-UHFFFAOYSA-N
norman_susdat_id: NS00033580
pubchem_cid: 5464178
smiles: OCc1c(c(O)c2C(=O)c3c(C(=O)c2c1[N+](=O)[O-])c(cc(c3O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2


name: 4-(2-Cyclohexylphenoxy)aniline
cas: 56705-79-4
chemspiderid: 83513
dtxsid: DTXSID10205266
formula: C18H21N1O1
inchikey: PLVQWNLOOHOANK-UHFFFAOYSA-N
norman_susdat_id: NS00033569
pubchem_cid: 92504
smiles: Nc1ccc(Oc2c(cccc2)C2CCCCC2)cc1
inchi:
InChI=1S/C18H21NO/c19-15-10-12-16(13-11-15)20-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7,19H2


name: 4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
cas: 56706-10-6
dtxsid: DTXSID5069122
formula: C18H42O6S2Si2
inchikey: FBBATURSCRIBHN-UHFFFAOYSA-N
norman_susdat_id: NS00054867
pubchem_cid: 92506
smiles: O(CC)[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3


name: 4,4,14,14-tetraethoxy-3,15-dioxa-8,9,10-trithia-4,14-disilaheptadecane
cas: 56706-11-7
dtxsid: DTXSID6074627
formula: C18H42O6S3Si2
inchikey: KLFNHRIZTXWZHT-UHFFFAOYSA-N
norman_susdat_id: NS00055232
pubchem_cid: 92507
smiles: O(CC)[Si](OCC)(OCC)CCCSSSCCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C18H42O6S3Si2/c1-7-19-28(20-8-2,21-9-3)17-13-15-25-27-26-16-14-18-29(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3


name: 1,1'-[[3-(triethoxysilyl)propyl]imino]bis[3-chloropropan-2-ol]
cas: 56709-05-8
dtxsid: DTXSID80886203
formula: C15H33Cl2NO5Si
inchikey: XKXVAWYYKGISES-UHFFFAOYSA-N
norman_susdat_id: NS00056245
pubchem_cid: 92508
smiles: ClCC(O)CN(CCC[Si](OCC)(OCC)OCC)CC(O)CCl
inchi:
InChI=1/C15H33Cl2NO5Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-18(12-14(19)10-16)13-15(20)11-17/h14-15,19-20H,4-13H2,1-3H3


name: 3-[[4-[[2-(benzoyloxy)ethyl]ethylamino]phenyl]azo]dimethyl-1H-1,2,4-triazolium chloride
cas: 56729-05-6
formula: C21H25N6O2
inchikey: XMLGBJZQDYFHSU-UHFFFAOYSA-M
norman_susdat_id: NS00055385
pubchem_cid: NA
smiles: [Cl-].O=C(OCCN(C1=CC=C(N=NC=2N=C[N+](N2)(C)C)C=C1)CC)C=3C=CC=CC3
inchi:
InChI=1/C21H25N6O2.ClH/c1-4-26(14-15-29-20(28)17-8-6-5-7-9-17)19-12-10-18(11-13-19)23-24-21-22-16-27(2,3)25-21;/h5-13,16H,4,14-15H2,1-3H3;1H/q+1;/p-1


cas: 56731-02-3
norman_susdat_id: NS00113166
name:
Poly[oxy(methyl-1,2-ethanediyl)], ?-hydro-?-hydroxy-, ether with -D-fructofuranosyl ?-D-glucopyranoside and 1,2,3-propanetriol


name: 9,10-dichloro-12-(phosphonooxy)octadecanoic acid
cas: 56744-27-5
dtxsid: DTXSID00972197
formula: C18H35Cl2O6P
inchikey: NZTGBAWFQMSCCA-UHFFFAOYSA-N
norman_susdat_id: NS00056246
pubchem_cid: 92520
smiles: O=C(O)CCCCCCCC(Cl)C(Cl)CC(OP(=O)(O)O)CCCCCC
inchi:
InChI=1/C18H35Cl2O6P/c1-2-3-4-8-11-15(26-27(23,24)25)14-17(20)16(19)12-9-6-5-7-10-13-18(21)22/h15-17H,2-14H2,1H3,(H,21,22)(H2,23,24,25)


name: [hexane-1,6-diylbis[nitrilobis(methylene)]]tetrakisphosphonic acid, sodium salt
cas: 56744-47-9
formula: C10H28N2O12P4.xNa
inchikey: OTMVRSKBJZXYMF-UHFFFAOYSA-M
norman_susdat_id: NS00087573
smiles: OP(=O)(O)CN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O[Na])CP(=O)(O)O
inchi:
InChI=1/C10H28N2O12P4.Na/c13-25(14,15)7-11(8-26(16,17)18)5-3-1-2-4-6-12(9-27(19,20)21)10-28(22,23)24;/h1-10H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);/q;+1/p-1/rC10H27N2NaO12P4/c13-25-29(23,24)10-12(9-28(20,21)22)6-4-2-1-3-5-11(7-26(14,15)16)8-27(17,18)19/h1-10H2,(H,23,24)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)


cas: 56744-60-6
chemspiderid: 83530
dtxsid: DTXSID0069125
formula: C31H40O8
inchikey: NREFJJBCYMZUEK-UHFFFAOYSA-N
norman_susdat_id: NS00020004
pubchem_cid: 92523
smiles: CC(=C)C(=O)OCCOCCOc1ccc(cc1)C(C)(C)c1ccc(OCCOCCOC(=O)C(=C)C)cc1
name:
2-Propenoic acid, 2-methyl-, (1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyloxy-2,1-ethanediyl) ester

inchi:
InChI=1S/C31H40O8/c1-23(2)29(32)38-21-17-34-15-19-36-27-11-7-25(8-12-27)31(5,6)26-9-13-28(14-10-26)37-20-16-35-18-22-39-30(33)24(3)4/h7-14H,1,3,15-22H2,2,4-6H3


name: Sodium 2-fluoro-a-methyl[1,1'-biphenyl]-4-acetate
cas: 56767-76-1
formula: C15H13FO2.Na
inchikey: AUAGTGKMTMVIKN-UHFFFAOYSA-M
norman_susdat_id: NS00087574
smiles: [Na+].CC(C(=O)[O-])c1ccc(c(F)c1)c2ccccc2
inchi:
InChI=1/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);/q;+1/p-1


name: Tetraethylammonium perfluorooctanesulfonate
cas: 56773-42-3
chemspiderid: NA
dtxsid: DTXSID5069128
formula: C16H20F17N1O3S1
inchikey: WHGWPDXQKGUNHP-UHFFFAOYSA-N
norman_susdat_id: NS00007176
pubchem_cid: NA
smiles: CC[N](CC)(CC)(CC)OS(=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/C16H20F17NO3S/c1-5-34(6-2,7-3,8-4)37-38(35,36)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h5-8H2,1-4H3


name: N,N,N-Tripropylpentan-1-aminium nonafluorobutane-1-sulfonate
cas: 56773-55-8
dtxsid: DTXSID20895612
formula: C18H32F9NO3S
inchikey: HZLJOGAIEWEAAH-UHFFFAOYSA-M
norman_susdat_id: NS00109697
smiles: CCCCC[N+](CCC)(CCC)CCC.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H32N.C4HF9O3S/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h5-14H2,1-4H3;(H,14,15,16)/q+1;/p-1


name: N,N,N-Tripropylpentan-1-aminium heptadecafluorooctane-1-sulfonate
cas: 56773-56-9
dtxsid: DTXSID90895927
formula: C22H32F17NO3S
inchikey: NYXOUCJEJJDTDM-UHFFFAOYSA-M
norman_susdat_id: NS00112123
smiles: CCCCC[N+](CCC)(CCC)CCC.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H32N.C8HF17O3S/c1-5-9-10-14-15(11-6-2,12-7-3)13-8-4;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h5-14H2,1-4H3;(H,26,27,28)/q+1;/p-1


name: Zimeldine
cas: 56775-88-3
chebiid: CHEBI:135357
chemspiderid: 4517305
dtxsid: DTXSID6048462
formula: C16H17Br1N2
inchikey: OYPPVKRFBIWMSX-SXGWCWSVSA-N
norman_susdat_id: NS00004111
pubchem_cid: 5365247
smiles: CN(C)CC=C(c1ccc(Br)cc1)c1cccnc1
inchi:
InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-


name: etofibrate
cas: 56775-91-8
chebiid: CHEBI:135535
chemspiderid: 59197
formula: C18H18Cl1N1O5
inchikey: XXRVYAFBUDSLJX-UHFFFAOYSA-N
norman_susdat_id: NS00005283
pubchem_cid: 65777
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCOC(=O)c1cccnc1
inchi:
InChI=1S/C18H18ClNO5/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3


name: F 1393
cas: 56775-92-9
chemspiderid: 171685
dtxsid: DTXSID50205326
formula: C18H19Cl1N2O4
inchikey: VBQSOVUBXWFWRS-UHFFFAOYSA-N
norman_susdat_id: NS00033578
pubchem_cid: 91981158
smiles: [Cl-].CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCNC(=O)c1cccnc1.[H+]
inchi:
InChI=1S/C18H19ClN2O4/c1-18(2,25-15-7-5-14(19)6-8-15)17(23)24-11-10-21-16(22)13-4-3-9-20-12-13/h3-9,12H,10-11H2,1-2H3,(H,21,22)


name: 6-chloro-N-ethyl-4-methyl-4-phenyl-4H-3,1-benzoxazin-2-amine monohydrochloride
cas: 56776-32-0
formula: C17H17ClN2O.ClH
inchikey: SCBJXEBIMVRTJE-UHFFFAOYSA-N
norman_susdat_id: NS00087794
smiles: Cl.CCNC1=Nc2ccc(Cl)cc2C(C)(O1)c3ccccc3
inchi:
InChI=1/C17H17ClN2O.ClH/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3,(H,19,20);1H


name: Sodium [N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycinato(3-)]manganate(1-)
cas: 56779-88-5
formula: C10H15MnN2O7.Na
inchikey: SNOMUGAZLBPIKG-UHFFFAOYSA-K
norman_susdat_id: NS00087795
smiles: [Na+].O=C1CN2CC(=O)O[Mn-](O1)OC(=O)CN(CC2)CCO
inchi:
InChI=1/C10H18N2O7.Mn.Na/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: Cefmetazole
cas: 56796-39-5
chebiid: CHEBI:3489
chemspiderid: 38311
formula: C15H17N7O5S3
inchikey: SNBUBQHDYVFSQF-HIFRSBDPSA-N
norman_susdat_id: NS00011557
pubchem_cid: 42008
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O
inchi:
InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1


name: 4-(benzyloxy)-a-[[tert-butylamino]methyl]-m-xylene-a,a'-diol
cas: 56796-66-8
formula: C20H27NO3
inchikey: ICDQPCBDGAHBGG-UHFFFAOYSA-N
norman_susdat_id: NS00054335
pubchem_cid: 92535
smiles: OCC1=CC(=CC=C1OCC=2C=CC=CC2)C(O)CNC(C)(C)C
inchi:
InChI=1/C20H27NO3/c1-20(2,3)21-12-18(23)16-9-10-19(17(11-16)13-22)24-14-15-7-5-4-6-8-15/h4-11,18,21-23H,12-14H2,1-3H3


name: Tetrakis(2-methyl-2-phenylpropyl)zirconium
cas: 56797-10-5
formula: C40H52Zr
inchikey: VSKUGEFWRDJTPS-UHFFFAOYSA-N
norman_susdat_id: NS00086848
smiles: CC(C)(C[Zr](CC(C)(C)c1ccccc1)(CC(C)(C)c2ccccc2)CC(C)(C)c3ccccc3)c4ccccc4
inchi:
InChI=1/4C10H13.Zr/c4*1-10(2,3)9-7-5-4-6-8-9;/h4*4-8H,1H2,2-3H3;/rC40H52Zr/c1-37(2,33-21-13-9-14-22-33)29-41(30-38(3,4)34-23-15-10-16-24-34,31-39(5,6)35-25-17-11-18-26-35)32-40(7,8)36-27-19-12-20-28-36/h9-28H,29-32H2,1-8H3


name: Melicopine
cas: 568-01-4
chebiid: CHEBI:6735
chemspiderid: 61714
dtxsid: DTXSID50205346
formula: C17H15N1O5
inchikey: PEWWLIQAXYMMAN-UHFFFAOYSA-N
norman_susdat_id: NS00033582
pubchem_cid: 68433
smiles: COc1c(OC)c2c(n(C)c3c(cccc3)c2=O)c2c1OCO2
inchi:
InChI=1S/C17H15NO5/c1-18-10-7-5-4-6-9(10)13(19)11-12(18)15-17(23-8-22-15)16(21-3)14(11)20-2/h4-7H,8H2,1-3H3


name: alpha-Peltatin
cas: 568-53-6
chebiid: CHEBI:10324
chemspiderid: 83175
dtxsid: DTXSID30205349
formula: C21H20O8
inchikey: JGGWNGRBXJWAOC-HKJPBSJPSA-N
norman_susdat_id: NS00094675
pubchem_cid: 92129
smiles: COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)CC2=C(O)C3=C(OCO3)C=C12
inchi:
InChI=1S/C21H20O8/c1-25-13-4-9(5-14(26-2)19(13)23)16-11-6-15-20(29-8-28-15)18(22)12(11)3-10-7-27-21(24)17(10)16/h4-6,10,16-17,22-23H,3,7-8H2,1-2H3/t10-,16+,17-/m0/s1


name: Tanshinone II
cas: 568-72-9
chebiid: CHEBI:108595
chemspiderid: 144362
dtxsid: DTXSID60205352
formula: C19H18O3
inchikey: HYXITZLLTYIPOF-UHFFFAOYSA-N
norman_susdat_id: NS00018027
pubchem_cid: 164676
smiles: CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
inchi:
InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3


name: Methyldipropyl[2-[(9H-xanthen-9-ylcarbonyl)oxy]ethyl]ammonium hydroxide
cas: 568-84-3
dtxsid: DTXSID00205356
formula: C23H30NO3
inchikey: OQBAQVHOUQXAEP-UHFFFAOYSA-M
norman_susdat_id: NS00043320
pubchem_cid: 3013907
smiles: [OH-].O=C(OCC[N+](C)(CCC)CCC)C1C=2C=CC=CC2OC=3C=CC=CC31
inchi:
InChI=1/C23H30NO3.H2O/c1-4-14-24(3,15-5-2)16-17-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22;/h6-13,22H,4-5,14-17H2,1-3H3;1H2/q+1;/p-1


name: Propanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester
cas: 5680-61-5
chemspiderid: 72058
dtxsid: DTXSID2063975
formula: C15H15N1O6
inchikey: SZNGBHWKVWEBKW-UHFFFAOYSA-N
norman_susdat_id: NS00033583
pubchem_cid: 79760
smiles: CCOC(=O)C(N1C(=O)c2c(cccc2)C1=O)C(=O)OCC
inchi:
InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3


name: 4-tert-butylphenyl diphenyl phosphate
cas: 56803-37-3
chemspiderid: 63604
formula: C22H23O4P1
inchikey: ULGAVXUJJBOWOD-UHFFFAOYSA-N
norman_susdat_id: NS00007525
pubchem_cid: 70425
smiles: CC(C)(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
inchi:
InChI=1S/C22H23O4P/c1-22(2,3)18-14-16-21(17-15-18)26-27(23,24-19-10-6-4-7-11-19)25-20-12-8-5-9-13-20/h4-17H,1-3H3


cas: 56815-45-3
norman_susdat_id: NS00113534
name:
Hexanedioic acid, polymer with 1,4-butanediol, 2,2-dimethyl-1,3-propanediol and 1,1-methylenebis[4-isocyanatobenzene]


name: Phosphoric acid, hexadecyl diphenyl ester
cas: 56827-92-0
dtxsid: DTXSID9069132
formula: C28H43O4P
inchikey: FEUQWJRZKZQFAO-UHFFFAOYSA-N
norman_susdat_id: NS00113609
smiles: CCCCCCCCCCCCCCCCOP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
inchi:
InChI=1S/C28H43O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-30-33(29,31-27-22-17-15-18-23-27)32-28-24-19-16-20-25-28/h15-20,22-25H,2-14,21,26H2,1H3


name: cis,cis-7,10,-hexadecadienal
cas: 56829-23-3
dtxsid: DTXSID60880840
formula: C16H28O
inchikey: WIWVOAOSGQCJSL-HZJYTTRNSA-N
norman_susdat_id: NS00096178
smiles: CCCCCC=C/CC=C/CCCCCC=O
inchi:
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,9-10,16H,2-5,8,11-15H2,1H3/b7-6-,10-9-


name: (+-)-eperisone
cas: 56839-43-1
chebiid: CHEBI:77071
dtxsid: DTXSID5040671
formula: C17H25NO
inchikey: SQUNAWUMZGQQJD-CQSZACIVSA-N
norman_susdat_id: NS00068044
pubchem_cid: 25271654
smiles: CCc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1
inchi:
InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/t14-/m1/s1


name: Dithiodisalicylic acid
cas: 56841-45-3
chemspiderid: 4955779
dtxsid: DTXSID40205375
formula: C14H10O6S2
inchikey: KCCZGARGXZYYFY-UHFFFAOYSA-N
norman_susdat_id: NS00033590
pubchem_cid: 6453398
smiles: OC(=O)c1ccccc1OSSOc1ccccc1C(=O)O
inchi:
InChI=1S/C14H10O6S2/c15-13(16)9-5-1-3-7-11(9)19-21-22-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)


name: Magnesium dithiobis(salicylate)
cas: 56841-48-6
formula: C14H10O6S2.Mg
inchikey: NFVNOBZFVCIKRG-UHFFFAOYSA-L
norman_susdat_id: NS00087205
smiles: [Mg+2].[O-]C(=O)c2ccccc2OSSOc1ccccc1C([O-])=O
inchi:
InChI=1/C14H10O6S2.Mg/c15-13(16)9-5-1-3-7-11(9)19-21-22-20-12-8-4-2-6-10(12)14(17)18;/h1-8H,(H,15,16)(H,17,18);/q;+2/p-2


name: 3-Pyridinecarbonitrile, 5-[(2-cyanophenyl)azo]-2,6-bis[(2-methoxyethyl)amino]-4-methyl-
cas: 56842-61-6
chemspiderid: 83551
dtxsid: DTXSID9069134
formula: C20H23N7O2
inchikey: SEQWUAQJBYUKJI-UHFFFAOYSA-N
norman_susdat_id: NS00033591
pubchem_cid: 92545
smiles: COCCNc1nc(NCCOC)c(N=Nc2c(cccc2)C#N)c(C)c1C#N
inchi:
InChI=1S/C20H23N7O2/c1-14-16(13-22)19(23-8-10-28-2)25-20(24-9-11-29-3)18(14)27-26-17-7-5-4-6-15(17)12-21/h4-7H,8-11H2,1-3H3,(H2,23,24,25)/b27-26+


name: Diisooctyl phenyl phosphate
cas: 56846-22-1
chemspiderid: 83553
dtxsid: DTXSID9069136
formula: C22H39O4P1
inchikey: NQOFUSUDAMVORD-UHFFFAOYSA-N
norman_susdat_id: NS00022397
pubchem_cid: 92547
smiles: CC(C)CCCCCOP(=O)(OCCCCCC(C)C)Oc1ccccc1
inchi:
InChI=1S/C22H39O4P/c1-20(2)14-8-6-12-18-24-27(23,26-22-16-10-5-11-17-22)25-19-13-7-9-15-21(3)4/h5,10-11,16-17,20-21H,6-9,12-15,18-19H2,1-4H3


name: (E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(2-thienyl)vinyl]pyrimidine citrate (1:1)
cas: 5685-86-9
formula: C11H14N2S.C6H8O7
inchikey: YJGGCARNRYGSPA-IPZCTEOASA-K
norman_susdat_id: NS00082246
smiles: CN1CCCN=C1\C=C\c2cccs2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C11H14N2S.C6H8O7/c1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-6,9H,3,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3


name: Agavoside A
cas: 56857-65-9
chebiid: CHEBI:2513
chemspiderid: 441876
formula: C33H52O9
inchikey: NVCUAFIUMZCPGV-RGIGLGGVSA-N
norman_susdat_id: NS00094581
pubchem_cid: 390452
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)C)OC1


name: 5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-7-chloro-4,6-dimethoxy-, (3aS,12aR)-
cas: 5686-84-0
dtxsid: DTXSID40970591
formula: C19H13ClO6
inchikey: POXKBPUNCDMQMW-UHFFFAOYSA-N
norman_susdat_id: NS00097192
smiles: COC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)OC)Cl
inchi:
InChI=1S/C19H13ClO6/c1-22-17-9(20)3-4-10-14(17)16(21)15-12(25-10)7-11-13(18(15)23-2)8-5-6-24-19(8)26-11/h3-8,19H,1-2H3


name: 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic anhydride
cas: 56860-12-9
dtxsid: DTXSID10972289
formula: C16H18Cl4O3
inchikey: CFCQREDNKXNRIG-UHFFFAOYSA-N
norman_susdat_id: NS00054296
pubchem_cid: 92550
smiles: O=C(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C2C(C=C(Cl)Cl)C2(C)C
inchi:
InChI=1/C16H18Cl4O3/c1-15(2)7(5-9(17)18)11(15)13(21)23-14(22)12-8(6-10(19)20)16(12,3)4/h5-8,11-12H,1-4H3


name: Octanoic acid, compound with tributylamine (1:1)
cas: 56863-01-5
formula: C12H27N.C8H16O2
inchikey: FENTZGYTGCWDPS-UHFFFAOYSA-N
norman_susdat_id: NS00087262
smiles: CCCCCCCC(=O)O.CCCCN(CCCC)CCCC
inchi:
InChI=1/C12H27N.C8H16O2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-3-4-5-6-7-8(9)10/h4-12H2,1-3H3;2-7H2,1H3,(H,9,10)


name: Linoleic diethanolamide
cas: 56863-02-6
chemspiderid: 4896950
dtxsid: DTXSID9042099
formula: C22H41N1O3
inchikey: CKNOIIXFUKKRIC-AVQMFFATSA-N
norman_susdat_id: NS00013839
pubchem_cid: 6366410
smiles: CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(CCO)CCO
inchi:
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3/b7-6+,10-9+


name: 2,2-dioctyl-1,3-dioxa-6,9-dithia-2-stannacycloundecane-4,11-dione
cas: 56875-68-4
formula: C22H42O4S2Sn
inchikey: JJCXSKMERQVLRH-UHFFFAOYSA-L
norman_susdat_id: NS00087263
smiles: CCCCCCCC[Sn]1(CCCCCCCC)OC(=O)CSCCSCC(=O)O1
inchi:
InChI=1/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(8)3-11-1-2-12-4-6(9)10;/h2*1,3-8H2,2H3;1-4H2,(H,7,8)(H,9,10);/q;;;+2/p-2/rC22H42O4S2Sn/c1-3-5-7-9-11-13-17-29(18-14-12-10-8-6-4-2)25-21(23)19-27-15-16-28-20-22(24)26-29/h3-20H2,1-2H3


cas: 56878-32-1
formula: C35H28N6O17S4
inchikey: LEWUDGVXJFXTRY-UHFFFAOYSA-J
norman_susdat_id: NS00055272
pubchem_cid: 135571052
name:
Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxy-4-sulphonatophenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C35H28N6O17S4.4Na/c1-57-27-15-21(59(45,46)47)5-9-25(27)38-40-31-29(61(51,52)53)13-17-11-19(3-7-23(17)33(31)42)36-35(44)37-20-4-8-24-18(12-20)14-30(62(54,55)56)32(34(24)43)41-39-26-10-6-22(60(48,49)50)16-28(26)58-2;;;;/h3-16,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3OC)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6OC)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


cas: 56878-33-2
formula: C33H24N6O15S4
inchikey: RVBPEPBHFLAQTE-UHFFFAOYSA-J
norman_susdat_id: NS00053912
pubchem_cid: 370113
name:
Tetrasodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C33H24N6O15S4.4Na/c40-31-25-11-5-21(13-17(25)15-27(57(49,50)51)29(31)38-36-19-1-7-23(8-2-19)55(43,44)45)34-33(42)35-22-6-12-26-18(14-22)16-28(58(52,53)54)30(32(26)41)39-37-20-3-9-24(10-4-20)56(46,47)48;;;;/h1-16,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


name: 5-(4-Fluorophenyl)-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol
cas: 56882-41-8
chemspiderid: 2096742
formula: C17H15F1N2O1
inchikey: ASAXCWFAAMUWMC-UHFFFAOYSA-N
norman_susdat_id: NS00015987
pubchem_cid: 2818477
smiles: C1CN2C(=N1)C3=CC=CC=C3CC2(C4=CC=C(C=C4)F)O
inchi:
InChI=1S/C17H15FN2O/c18-14-7-5-13(6-8-14)17(21)11-12-3-1-2-4-15(12)16-19-9-10-20(16)17/h1-8,21H,9-11H2


name: Chlorotrianisene
cas: 569-57-3
chebiid: CHEBI:3641
chemspiderid: 10815
dtxsid: DTXSID1021299
formula: C23H21Cl1O3
inchikey: BFPSDSIWYFKGBC-UHFFFAOYSA-N
norman_susdat_id: NS00001052
pubchem_cid: 11289
smiles: COc1ccc(cc1)C(Cl)=C(c1ccc(OC)cc1)c1ccc(OC)cc1
inchi:
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3


name: Triammonium 5,5'-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)disalicylate
cas: 569-58-4
chebiid: CHEBI:87398
dtxsid: DTXSID20889354
formula: C22H14O9
inchikey: AIPNSHNRCQOTRI-UHFFFAOYSA-N
norman_susdat_id: NS00043321
pubchem_cid: 2259
smiles: O=C([O-])C1=CC(C=CC1=O)=C(C2=CC=C(O)C(=C2)C(=O)[O-])C3=CC=C(O)C(=C3)C(=O)[O-].[NH4+].[NH4+].[NH4+]
inchi:
InChI=1/C22H14O9.3H3N/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);3*1H3


name: Phenindamine tartrate
cas: 569-59-5
formula: C19H19N.C4H6O6
inchikey: WFXURHIXPXVPGM-LREBCSMRSA-N
norman_susdat_id: NS00080033
smiles: CN1CCC2=C(C1)C(c3ccccc3)c4ccccc24.O[C@H]([C@@H](O)C(=O)O)C(=O)O
inchi:
InChI=1/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: 4,4â€²-(4-iminocyclohexa-2,5-dienylidenemethylene)dianiline
cas: 569-61-9
chebiid: CHEBI:75372
chemspiderid: 10819
formula: C19H17N3
inchikey: AFAIELJLZYUNPW-UHFFFAOYSA-N
norman_susdat_id: NS00005424
pubchem_cid: 11293
smiles: Nc1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(N)cc1
inchi:
InChI=1S/C19H17N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20H,21-22H2


name: Malachite green
cas: 569-64-2
chebiid: CHEBI:44107
chemspiderid: 10820
formula: C23H25N2
inchikey: VFCNQNZNPKRXIT-UHFFFAOYSA-N
norman_susdat_id: NS00014996
pubchem_cid: 11295
smiles: CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3
inchi:
InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1


name: Meclizine
cas: 569-65-3
chebiid: CHEBI:6709
chemspiderid: 3894
dtxsid: DTXSID0023242
formula: C25H27Cl1N2
inchikey: OCJYIGYOJCODJL-UHFFFAOYSA-N
norman_susdat_id: NS00000507
pubchem_cid: 4034
smiles: Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)Cc4cccc(c4)C
inchi:
InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3


name: Naphthalene-1,8:4,5-tetracarboxydiimide
cas: 5690-24-4
dtxsid: DTXSID30205440
formula: C14H6N2O4
inchikey: BODUWJSFPLUDMP-UHFFFAOYSA-N
norman_susdat_id: NS00046791
pubchem_cid: 79771
smiles: O=C1NC(=O)C2=CC=C3C(=O)NC(=O)C4=CC=C1C2=C43
inchi:
InChI=1/C14H6N2O4/c17-11-5-1-2-6-10-8(14(20)16-12(6)18)4-3-7(9(5)10)13(19)15-11/h1-4H,(H,15,17,19)(H,16,18,20)


cas: 56912-29-9
dtxsid: DTXSID60886206
formula: C48H63ClN2O8S2
inchikey: WUJTWJZEQRSSPU-UHFFFAOYSA-N
norman_susdat_id: NS00055274
pubchem_cid: 92561
name:
N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide

inchi:
InChI=1/C48H63ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-60(54,55)51-38-24-33-43(49)44(35-38)50-47(53)45(46(52)48(2,3)4)59-40-27-31-42(32-28-40)61(56,57)41-29-25-39(26-30-41)58-36-37-22-19-18-20-23-37/h18-20,22-33,35,45,51H,5-17,21,34,36H2,1-4H3,(H,50,53)

smiles:
O=C(NC1=CC(=CC=C1Cl)NS(=O)(=O)CCCCCCCCCCCCCCCC)C(OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(OCC=4C=CC=CC4)C=C3)C(=O)C(C)(C)C


cas: 56918-92-4
dtxsid: DTXSID3069140
formula: C33H27N9O7S
inchikey: DJMAQCZODPUFBF-UHFFFAOYSA-N
norman_susdat_id: NS00054381
pubchem_cid: NA
name:
5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

inchi:
InChI=1/C33H27N9O7S/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46/h2-17,43H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49)

smiles:
O=C(O)C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC=4C(N)=C(N=NC5=CC=C(C=C5)S(=O)(=O)O)C=C(C4N)C)C=C3)=CC=C1O


cas: 56918-93-5
chemspiderid: 17287938
dtxsid: DTXSID8069141
formula: C36H25N9O13S2
inchikey: MMVNZWAJOBFTMS-UHFFFAOYSA-N
norman_susdat_id: NS00033601
pubchem_cid: NA
name:
Benzoic acid, 5-[[4-[[[4-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulfo-2-naphthalenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-

inchi:
InChI=1S/C36H25N9O13S2/c37-31-30-19(15-28(59(53,54)55)32(31)43-40-23-9-12-25(13-10-23)45(51)52)16-29(60(56,57)58)33(34(30)47)44-41-22-7-5-20(6-8-22)38-35(48)18-1-3-21(4-2-18)39-42-24-11-14-27(46)26(17-24)36(49)50/h1-17,46-47H,37H2,(H,38,48)(H,49,50)(H,53,54,55)(H,56,57,58)/b42-39-,43-40+,44-41?

smiles:
Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(cc2cc(c(N=Nc3ccc(NC(=O)c4ccc(cc4)N=Nc4ccc(O)c(c4)C(=O)O)cc3)c(O)c12)S(=O)(=O)O)S(=O)(=O)O


name: 1-(1-phenylethyl)-4-[1-(3,4-xylyl)ethyl]benzene
cas: 56922-56-6
dtxsid: DTXSID60972355
formula: C24H26
inchikey: NTASRDMNIODWLU-UHFFFAOYSA-N
norman_susdat_id: NS00055275
pubchem_cid: 92568
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2)C(C3=CC=C(C(=C3)C)C)C)C
inchi:
InChI=1/C24H26/c1-17-10-11-24(16-18(17)2)20(4)23-14-12-22(13-15-23)19(3)21-8-6-5-7-9-21/h5-16,19-20H,1-4H3


name: 2',3'-O-isopropylidene-5'-O-tritylinosine
cas: 56927-16-3
dtxsid: DTXSID00972359
formula: C32H30N4O5
inchikey: KCWRKFVKIDINBP-UHFFFAOYSA-N
norman_susdat_id: NS00054399
pubchem_cid: NA
smiles: O=C1NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6)C7OC(OC37)(C)C
inchi:
InChI=1/C32H30N4O5/c1-31(2)40-26-24(39-30(27(26)41-31)36-20-35-25-28(36)33-19-34-29(25)37)18-38-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24,26-27,30H,18H2,1-2H3,(H,33,34,37)


name: Bis[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propyl] But-2-enedioate
cas: 56927-83-4
dtxsid: DTXSID40371105
formula: C26H22F26O4S2
inchikey: TYMGDYKDZSSLJM-UHFFFAOYSA-N
norman_susdat_id: NS00110191
inchi:
InChI=1S/C26H22F26O4S2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)5-11-57-9-1-7-55-13(53)3-4-14(54)56-8-2-10-58-12-6-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h3-4H,1-2,5-12H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCSCCCOC(=O)C=CC(=O)OCCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Octadecylsuccinic acid
cas: 5693-14-1
dtxsid: DTXSID10972365
formula: C22H42O4
inchikey: ZPJDFKVKOFGAFV-UHFFFAOYSA-N
norman_susdat_id: NS00046855
pubchem_cid: 110691
smiles: O=C(O)CC(C(=O)O)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24/h20H,2-19H2,1H3,(H,23,24)(H,25,26)


name: Disodium 8-hydroxy-7-[(6-sulphonato-2-naphthyl)azo]quinoline-5-sulphonate
cas: 56932-43-5
dtxsid: DTXSID30889401
formula: C19H13N3O7S2
inchikey: IFVGQKHFUZRWNA-UHFFFAOYSA-L
norman_susdat_id: NS00054400
pubchem_cid: 92577
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C2C=C(N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)[O-])C=CC2=C1
inchi:
InChI=1/C19H13N3O7S2.2Na/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13;;/h1-10,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-hexanoate
cas: 56933-61-0
dtxsid: DTXSID60972370
formula: C28H39FO6
inchikey: KZMKFAJYVZNKJS-DGAWKMIRSA-N
norman_susdat_id: NS00053929
pubchem_cid: 92580
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H39FO6/c1-5-6-7-8-24(33)35-16-23(32)28(34)17(2)13-21-20-10-9-18-14-19(30)11-12-25(18,3)27(20,29)22(31)15-26(21,28)4/h11-12,14,17,20-22,31,34H,5-10,13,15-16H2,1-4H3


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-nonanoate
cas: 56933-62-1
dtxsid: DTXSID20972371
formula: C31H45FO6
inchikey: AWDSCRBRERQCNU-DXPBGWFQSA-N
norman_susdat_id: NS00054401
pubchem_cid: 92581
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCCCCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C31H45FO6/c1-5-6-7-8-9-10-11-27(36)38-19-26(35)31(37)20(2)16-24-23-13-12-21-17-22(33)14-15-28(21,3)30(23,32)25(34)18-29(24,31)4/h14-15,17,20,23-25,34,37H,5-13,16,18-19H2,1-4H3


name: 3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 56935-85-4
formula: C14H21N6.CH3O4S
inchikey: PORYPSLRNIVJCL-UHFFFAOYSA-N
norman_susdat_id: NS00087246
smiles: [O-]S(=O)(=O)OC.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C
inchi:
InChI=1/C14H22N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-5-6(2,3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,2,3,4)


name: (dodecyl)ethyldimethylammonium p-(hexyloxy)benzoate
cas: 56955-78-3
formula: C16H36N.C13H17O3
inchikey: RBBNOVKRLWDEGC-UHFFFAOYSA-M
norman_susdat_id: NS00087822
smiles: CCCCCCCCCCCC[N+](C)(C)CC.CCCCCCOc1ccc(cc1)C(=O)[O-]
inchi:
InChI=1/C16H36N.C13H18O3/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h5-16H2,1-4H3;6-9H,2-5,10H2,1H3,(H,14,15)/q+1;/p-1


name: 15-methyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadecane-5,14-dione
cas: 5696-58-2
formula: C18H26O2
inchikey: CRDKSBHJIGNEOH-IMRIKWHGSA-N
norman_susdat_id: NS00070164
pubchem_cid: 5288172
smiles: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CCC2=O
inchi:
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1


cas: 5696-92-4
dtxsid: DTXSID80884183
formula: C20H8Cl12
inchikey: ULBZLTIPWBXWCY-UHFFFAOYSA-N
norman_susdat_id: NS00046794
pubchem_cid: 165335
smiles: ClC1=C(Cl)C2(Cl)C3C(C=4C=CC=CC4C5C3C6(Cl)C(Cl)=C(Cl)C5(Cl)C6(Cl)Cl)C1(Cl)C2(Cl)Cl
name:
1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene

inchi:
InChI=1/C20H8Cl12/c21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-3-1-2-4-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32/h1-4,7-10H


name: 3-[(5,8-dichloro-1-hydroxy-2-naphthyl)azo]-4-hydroxybenzenesulphonamide
cas: 56961-50-3
dtxsid: DTXSID3069144
formula: C16H11Cl2N3O4S
inchikey: YUFGHCYMOGJWDF-UHFFFAOYSA-N
norman_susdat_id: NS00055340
pubchem_cid: 92593
smiles: O=S(=O)(N)C1=CC=C(O)C(N=NC=2C=CC=3C(Cl)=CC=C(Cl)C3C2O)=C1
inchi:
InChI=1/C16H11Cl2N3O4S/c17-10-3-4-11(18)15-9(10)2-5-12(16(15)23)20-21-13-7-8(26(19,24)25)1-6-14(13)22/h1-7,22-23H,(H2,19,24,25)


name: Glycine, N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methyl-, monosodium salt
cas: 56968-08-2
chemspiderid: 83597
dtxsid: DTXSID2069151
formula: C19H31N1O3
inchikey: XKGBTJJNMMJRDL-UHFFFAOYSA-M
norman_susdat_id: NS00019825
pubchem_cid: 101996205
smiles: [Na+].CCCCCCCCCc1cc(CN(C)CC(=O)[O-])c(O)cc1
inchi:
InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23)


name: Oxapadol
cas: 56969-22-3
formula: C17H14N2O2
inchikey: LCXASZQUGJCXBG-UHFFFAOYSA-N
norman_susdat_id: NS00053966
pubchem_cid: 68766
smiles: N=1C=2C=CC=CC2N3C1C4(OCC(O4)C3)C=5C=CC=CC5
inchi:
InChI=1/C17H14N2O2/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h1-9,13H,10-11H2


name: Carbenoxolone
cas: 5697-56-3
chemspiderid: 552190
dtxsid: DTXSID4022733
formula: C34H50O7
inchikey: OBZHEBDUNPOCJG-HKLXDWFYSA-N
norman_susdat_id: NS00006225
pubchem_cid: 23900
smiles: CC1(C)[C@H](CCC2(C)[C@H]1CCC1(C)[C@@H]2C(=O)C=C2C3C[C@](C)(CCC3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
inchi:
InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21?,23-,24-,27+,30?,31-,32?,33+,34?/m0/s1


name: 1,1'-(tetradecylimino)dipropan-2-ol
cas: 56975-11-2
dtxsid: DTXSID10886211
formula: C20H43NO2
inchikey: NMEWVFFBYQFTLK-UHFFFAOYSA-N
norman_susdat_id: NS00053984
pubchem_cid: 92614
smiles: OC(C)CN(CCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)22)18-20(3)23/h19-20,22-23H,4-18H2,1-3H3


name: Acenaphthene-5,6-dicarboxic acid
cas: 5698-99-7
chemspiderid: 87796
dtxsid: DTXSID70205585
formula: C14H10O4
inchikey: MCTYNCQPNKIMCL-UHFFFAOYSA-N
norman_susdat_id: NS00033624
pubchem_cid: 97270
smiles: OC(=O)c1ccc2CCc3ccc(C(=O)O)c1c23
inchi:
InChI=1S/C14H10O4/c15-13(16)9-5-3-7-1-2-8-4-6-10(14(17)18)12(9)11(7)8/h3-6H,1-2H2,(H,15,16)(H,17,18)


name: Celiprolol
cas: 56980-93-9
chebiid: CHEBI:94461
chemspiderid: 2563
dtxsid: DTXSID3020259
formula: C20H33N3O4
inchikey: JOATXPAWOHTVSZ-UHFFFAOYSA-N
norman_susdat_id: NS00010514
pubchem_cid: 2663
smiles: CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C
inchi:
InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)


name: U-44069
cas: 56985-32-1
chemspiderid: 4470878
formula: C21H34O4
inchikey: DJKDIKIDYDXHDD-REGKDVDGSA-N
norman_susdat_id: NS00017066
pubchem_cid: 44364273
smiles: CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)OC2)O
inchi:
InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20?/m0/s1


name: Flupirtine
cas: 56995-20-1
chebiid: CHEBI:94646
chemspiderid: 48119
dtxsid: DTXSID4048436
formula: C15H17F1N4O2
inchikey: JUUFBMODXQKSTD-UHFFFAOYSA-N
norman_susdat_id: NS00008682
pubchem_cid: 53276
smiles: CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
inchi:
InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)


name: Vincristine
cas: 57-22-7
chebiid: CHEBI:28445
chemspiderid: 5758
dtxsid: DTXSID1032278
formula: C46H56N4O10
inchikey: OGWKCGZFUXNPDA-XQKSVPLYSA-N
norman_susdat_id: NS00009299
pubchem_cid: 5978
inchi:
InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

smiles:
CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC


name: Strychnine
cas: 57-24-9
chebiid: CHEBI:28973
chemspiderid: 389877
dtxsid: DTXSID6023600
formula: C21H22N2O2
inchikey: QMGVPVSNSZLJIA-FVWCLLPLSA-N
norman_susdat_id: NS00009135
pubchem_cid: 441071
smiles: O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61
inchi:
InChI=1S/C21H22N2O2/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/t13-,16-,17-,19-,20-,21+/m0/s1


name: Morphine
cas: 57-27-2
chebiid: CHEBI:17303
chemspiderid: 4450907
dtxsid: DTXSID9023336
formula: C17H19N1O3
inchikey: BQJCRHHNABKAKU-KBQPJGBKSA-N
norman_susdat_id: NS00000380
pubchem_cid: 5288826
smiles: CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O
inchi:
InChI=1S/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/t10-,11+,13-,16-,17-/m0/s1


name: Nalorphine hydrochloride
cas: 57-29-4
formula: C19H21NO3.ClH
inchikey: NAHATSPWSULUAA-ZQGPYOJVSA-N
norman_susdat_id: NS00079132
smiles: Cl.O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
inchi:
InChI=1/C19H21NO3.ClH/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20;/h2-6,12-13,15,18,21-22H,1,7-10H2;1H


name: Phenobarbital sodium
cas: 57-30-7
chebiid: CHEBI:8070
dtxsid: DTXSID0021123
formula: C12H11N2NaO3
inchikey: WRLGYAWRGXKSKG-UHFFFAOYSA-M
norman_susdat_id: NS00076142
smiles: [Na+].CCC1(C(=O)NC([O-])=NC1=O)C1=CC=CC=C1
inchi:
InChI=1/C12H12N2O3.Na/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+1/p-1


name: Pentobarbital sodium
cas: 57-33-0
chebiid: CHEBI:7984
dtxsid: DTXSID9021712
formula: C11H17N2NaO3
inchikey: QGMRQYFBGABWDR-UHFFFAOYSA-M
norman_susdat_id: NS00067927
smiles: [Na+].CCCC(C)C1(CC)C(=O)NC([O-])=NC1=O
inchi:
InChI=1/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1


name: Benactyzine hydrochloride
cas: 57-37-4
formula: C20H25NO3.ClH
inchikey: ZCEHOOLYWQBGQO-UHFFFAOYSA-N
norman_susdat_id: NS00078857
smiles: Cl.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c2ccccc2
inchi:
InChI=1/C20H25NO3.ClH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,23H,3-4,15-16H2,1-2H3;1H


name: Metepa
cas: 57-39-6
chebiid: CHEBI:82556
chemspiderid: 54938
dtxsid: DTXSID5020815
formula: C9H18N3O1P1
inchikey: AVUYXHYHTTVPRX-UHFFFAOYNA-N
norman_susdat_id: NS00033709
pubchem_cid: NA
smiles: CC1CN1P(=O)(N1CC1C)N1CC1C
inchi:
InChI=1S/C9H18N3OP/c1-7-4-10(7)14(13,11-5-8(11)2)12-6-9(12)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-,10-,11-,12-/m1/s1


name: 5,5-Diphenylhydantoin
cas: 57-41-0
chebiid: CHEBI:8107
chemspiderid: 1710
dtxsid: DTXSID8020541
formula: C15H12N2O2
inchikey: CXOFVDLJLONNDW-UHFFFAOYSA-N
norman_susdat_id: NS00010290
pubchem_cid: 1775
smiles: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
inchi:
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)


name: Physostigmine
cas: 57-47-6
chebiid: CHEBI:27953
chemspiderid: 5763
dtxsid: DTXSID3023471
formula: C15H21N3O2
inchikey: PIJVFDBKTWXHHD-HIFRSBDPSA-N
norman_susdat_id: NS00004015
pubchem_cid: 5983
smiles: CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
inchi:
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1


name: Sucrose
cas: 57-50-1
chemspiderid: 21241545
dtxsid: DTXSID2021288
formula: C12H22O11
inchikey: CZMRCDWAGMRECN-UHFFFAOYSA-N
norman_susdat_id: NS00014135
pubchem_cid: 1115
smiles: OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1


name: 3,3,7,7-tetraethyl-4,6-dioxa-5-thia-3,7-distannanonane 5,5-dioxide
cas: 57-52-3
dtxsid: DTXSID8075338
formula: C12H30O4SSn2
inchikey: BTVURVLQSDTSSS-UHFFFAOYSA-L
norman_susdat_id: NS00041186
pubchem_cid: NA
smiles: O=S(=O)(O[Sn](CC)(CC)CC)O[Sn](CC)(CC)CC
inchi:
InChI=1/6C2H5.H2O4S.2Sn/c6*1-2;1-5(2,3)4;;/h6*1H2,2H3;(H2,1,2,3,4);;/q;;;;;;;2*+1/p-2/rC12H30O4SSn2/c1-7-18(8-2,9-3)15-17(13,14)16-19(10-4,11-5)12-6/h7-12H2,1-6H3


name: 11β-Hydroxyandrosterone
cas: 57-61-4
chebiid: CHEBI:34350
chemspiderid: 92020
formula: C19H30O3
inchikey: PIXFHVWJOVNKQK-PTXZMSDUSA-N
norman_susdat_id: NS00018328
pubchem_cid: 10286365
smiles: CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)C)O)O
inchi:
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13-,14-,15-,17+,18-,19-/m0/s1


name: Chlortetracycline
cas: 57-62-5
chebiid: CHEBI:27644
chemspiderid: 10469370
dtxsid: DTXSID9022811
formula: C22H23Cl1N2O8
inchikey: CYDMQBQPVICBEU-XRNKAMNCSA-N
norman_susdat_id: NS00001931
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O
inchi:
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1


name: 17alpha-Ethinylestradiol
cas: 57-63-6
chebiid: CHEBI:4903
chemspiderid: 5770
dtxsid: DTXSID5020576
formula: C20H24O2
inchikey: BFPYWIDHMRZLRN-SLHNCBLASA-N
norman_susdat_id: NS00008601
pubchem_cid: 5991
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C
eea_notation: CAS_57-63-6
inchi:
InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1


name: Physostigmine salicylate
cas: 57-64-7
chebiid: CHEBI:48883
formula: C15H21N3O2.C7H6O3
inchikey: HZOTZTANVBDFOF-PBCQUBLHSA-N
norman_susdat_id: NS00078948
smiles: CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1.OC(=O)c4ccccc4O
inchi:
InChI=1/C15H21N3O2.C7H6O3/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)


name: Probenecid
cas: 57-66-9
chebiid: CHEBI:8426
chemspiderid: 4742
dtxsid: DTXSID9021188
formula: C13H19N1O4S1
inchikey: DBABZHXKTCFAPX-UHFFFAOYSA-N
norman_susdat_id: NS00004996
pubchem_cid: 4911
smiles: CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
inchi:
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)


name: Sulfamethazine
cas: 57-68-1
chebiid: CHEBI:102265
chemspiderid: 5136
dtxsid: DTXSID6021290
formula: C12H14N4O2S1
inchikey: ASWVTGNCAZCNNR-UHFFFAOYSA-N
norman_susdat_id: NS00000199
pubchem_cid: 5327
smiles: c1(S(Nc2nc(cc(n2)C)C)(=O)=O)ccc(N)cc1
inchi:
InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)


name: Progesterone
cas: 57-83-0
chebiid: CHEBI:17026
chemspiderid: 5773
dtxsid: DTXSID3022370
formula: C21H30O2
inchikey: RJKFOVLPORLFTN-LEKSSAKUSA-N
norman_susdat_id: NS00010899
pubchem_cid: 5994
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1


name: Testosterone propionate
cas: 57-85-2
chebiid: CHEBI:9466
chemspiderid: 5774
dtxsid: DTXSID9036515
formula: C22H32O3
inchikey: PDMMFKSKQVNJMI-BLQWBTBKSA-N
norman_susdat_id: NS00015421
pubchem_cid: 5995
smiles: CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1


name: ERGOSTEROL
cas: 57-87-4
chebiid: CHEBI:16933
chemspiderid: 392539
dtxsid: DTXSID90878679
formula: C28H44O1
inchikey: DNVPQKQSNYMLRS-APGDWVJJSA-N
norman_susdat_id: NS00008818
pubchem_cid: 444679
smiles: CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1


name: Cholesterol
cas: 57-88-5
chebiid: CHEBI:16113
chemspiderid: 5775
dtxsid: DTXSID3022401
formula: C27H46O1
inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
norman_susdat_id: NS00005787
pubchem_cid: 5997
smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1


name: 17alpha-Estradiol
cas: 57-91-0
chebiid: CHEBI:17160
dtxsid: DTXSID8022377
formula: C18H24O2
inchikey: VOXZDWNPVJITMN-SFFUCWETSA-N
norman_susdat_id: NS00075580
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[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/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1


name: Streptomycin A
cas: 57-92-1
chemspiderid: 5107
dtxsid: DTXSID4023597
formula: C21H39N7O12
inchikey: UCSJYZPVAKXKNQ-UHFFFAOYSA-N
norman_susdat_id: NS00001471
pubchem_cid: 5297
smiles: CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)OC(C)C1(O)C=O
inchi:
InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)


name: (+)-Tubocurarine chloride hydrochloride
cas: 57-94-3
dtxsid: DTXSID2023727
formula: C37H42Cl2N2O6
inchikey: GXFZCDMWGMFGFL-KKXMJGKMSA-N
norman_susdat_id: NS00075403
inchi:
InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/m0../s1

smiles:
Cl.[Cl-].COC1=CC2=C3[C@@H](CC4=CC(OC5=CC6=C(CCN(C)[C@H]6CC6=CC=C(OC3=C1O)C=C6)C=C5OC)=C(O)C=C4)[N+](C)(C)CC2


name: Sulfinpyrazone
cas: 57-96-5
chebiid: CHEBI:9342
chemspiderid: 5149
dtxsid: DTXSID0023618
formula: C23H20N2O3S1
inchikey: MBGGBVCUIVRRBF-UHFFFAOYSA-N
norman_susdat_id: NS00004052
pubchem_cid: 5342
smiles: O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2


name: Europine
cas: 570-19-4
chebiid: CHEBI:4943
chemspiderid: 4575419
formula: C16H27NO6
inchikey: ZNEMYFCJOCCUJN-VFFTVRQLSA-N
norman_susdat_id: NS00067010
pubchem_cid: 5462451
smiles: C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)(C(C)(C)O)O)OC
inchi:
InChI=1S/C16H27NO6/c1-10(22-4)16(21,15(2,3)20)14(19)23-9-11-5-7-17-8-6-12(18)13(11)17/h5,10,12-13,18,20-21H,6-9H2,1-4H3/t10-,12-,13+,16-/m0/s1


name: 6a-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 570-36-5
dtxsid: DTXSID90205608
formula: C23H29FO6
inchikey: CYMBAKFTWRNHPS-APRQOCPKSA-N
norman_susdat_id: NS00043390
pubchem_cid: 101772
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C23H29FO6/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/h4,6,8,14-15,17-18,20,27,29H,5,7,9-11H2,1-3H3


name: 3-ß,17-a-dihydroxy-5-a-pregnan-20-one
cas: 570-54-7
dtxsid: DTXSID30878597
formula: C21H34O3
inchikey: LKQDFQLSEHWIRK-UHFFFAOYSA-N
norman_susdat_id: NS00042409
pubchem_cid: 536976
smiles: O=C(C)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3CCC21C
inchi:
InChI=1/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3


name: Cholest-5-ene
cas: 570-74-1
chebiid: CHEBI:28810
dtxsid: DTXSID50862216
formula: C27H46
inchikey: DTGDZMYNKLTSKC-HKQCOZBKSA-N
norman_susdat_id: NS00042854
pubchem_cid: 440663
smiles: C1=C2CCCCC2(C)C3CCC4(C)C(CCC4C3C1)C(C)CCCC(C)C
inchi:
InChI=1/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h12,19-20,22-25H,6-11,13-18H2,1-5H3


name: 3-a,6-a-dihydroxy-5-ß-pregnan-20-one
cas: 570-78-5
dtxsid: DTXSID60972491
formula: C21H34O3
inchikey: HHUZGDMRRLQZIQ-UHFFFAOYSA-N
norman_susdat_id: NS00042410
pubchem_cid: 537137
smiles: O=C(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C
inchi:
InChI=1/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3


name: 2-(3,4-dimethoxyphenyl)-1,3-dithiane 1,1,3,3-tetraoxide
cas: 57009-86-6
dtxsid: DTXSID40205618
formula: C12H16O6S2
inchikey: ODNGPQOKPLSWSJ-UHFFFAOYSA-N
norman_susdat_id: NS00054454
pubchem_cid: 92624
smiles: O=S1(=O)CCCS(=O)(=O)C1C2=CC=C(OC)C(OC)=C2
inchi:
InChI=1/C12H16O6S2/c1-17-10-5-4-9(8-11(10)18-2)12-19(13,14)6-3-7-20(12,15)16/h4-5,8,12H,3,6-7H2,1-2H3


name: Tiapamil
cas: 57010-31-8
chebiid: CHEBI:35016
dtxsid: DTXSID10205620
formula: C26H37NO8S2
inchikey: ZROUQTNYPCANTN-UHFFFAOYSA-N
norman_susdat_id: NS00054022
pubchem_cid: 42107
smiles: O=S1(=O)CCCS(=O)(=O)C1(C2=CC=C(OC)C(OC)=C2)CCCN(C)CCC3=CC=C(OC)C(OC)=C3
inchi:
InChI=1/C26H37NO8S2/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5/h8-11,18-19H,6-7,12-17H2,1-5H3


name: Tiapamil hydrochloride
cas: 57010-32-9
dtxsid: DTXSID60897155
formula: C26H38ClNO8S2
inchikey: FEEDFNKRGAKOFI-UHFFFAOYSA-N
norman_susdat_id: NS00075490
smiles: [Cl-].COC1=CC=C(CC[NH+](C)CCCC2(C3=CC=C(OC)C(OC)=C3)S(=O)(=O)CCCS2(=O)=O)C=C1OC
inchi:
InChI=1/C26H37NO8S2.ClH/c1-27(15-12-20-8-10-22(32-2)24(18-20)34-4)14-6-13-26(36(28,29)16-7-17-37(26,30)31)21-9-11-23(33-3)25(19-21)35-5;/h8-11,18-19H,6-7,12-17H2,1-5H3;1H


name: N-(4-(Piperidin-1-ylsulphonyl)phenyl)acetamide
cas: 5702-82-9
chemspiderid: 72074
dtxsid: DTXSID60205630
formula: C13H18N2O3S1
inchikey: TVEBRNUNWHDRLC-UHFFFAOYSA-N
norman_susdat_id: NS00033632
pubchem_cid: 79780
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1
inchi:
InChI=1S/C13H18N2O3S/c1-11(16)14-12-5-7-13(8-6-12)19(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)


name: Isonixin
cas: 57021-61-1
chebiid: CHEBI:134986
dtxsid: DTXSID80877494
formula: C14H14N2O2
inchikey: WJDDCFNFNAHLAF-UHFFFAOYSA-N
norman_susdat_id: NS00054476
pubchem_cid: 68767
smiles: O=C1NC=CC=C1C(=O)NC=2C(=CC=CC2C)C
inchi:
InChI=1/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-14(18)11-7-4-8-15-13(11)17/h3-8H,1-2H3,(H,15,17)(H,16,18)


name: N-Butyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
cas: 570420-18-7
dtxsid: DTXSID10896012
formula: C11H10F13NO
inchikey: GHDJJZIELAHLLV-UHFFFAOYSA-N
norman_susdat_id: NS00109379
smiles: CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F13NO/c1-2-3-4-25-5(26)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3,(H,25,26)


name: MAHP
cas: 57043-35-3
chemspiderid: 16671950
formula: C19H30N6O5S1
inchikey: CSMLDYVDBBFUJF-MXAVVETBSA-N
norman_susdat_id: NS00003074
pubchem_cid: NA
smiles: CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O
inchi:
InChI=1S/C19H30N6O5S/c1-11(23-17(27)13(20)5-7-31-2)16(26)24-14(8-12-9-21-10-22-12)18(28)25-6-3-4-15(25)19(29)30/h9-11,13-15H,3-8,20H2,1-2H3,(H,21,22)(H,23,27)(H,24,26)(H,29,30)/t11-,13-,14-,15-/m0/s1


name: 4,4'-Diaminotrityl alcohol
cas: 57049-35-1
chemspiderid: 83625
dtxsid: DTXSID50205669
formula: C19H18N2O1
inchikey: RPDAPRWXVMJJSE-UHFFFAOYSA-N
norman_susdat_id: NS00033637
pubchem_cid: 92637
smiles: Nc1ccc(cc1)C(O)(c1ccccc1)c1ccc(N)cc1
inchi:
InChI=1S/C19H18N2O/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,22H,20-21H2


name: 2-ethylhexyl 12-ethyl-5,5-dimethyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate
cas: 57057-50-8
dtxsid: DTXSID10886216
formula: C24H48O4S2Sn
inchikey: OSJAAYAWZBUHDN-UHFFFAOYSA-L
norman_susdat_id: NS00054523
pubchem_cid: 9576098
smiles: O=C(OCC(CC)CCCC)CCS[Sn](SCCC(=O)OCC(CC)CCCC)(C)C
inchi:
InChI=1/2C11H22O2S.2CH3.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;;;/h2*10,14H,3-9H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC24H48O4S2Sn/c1-7-11-13-21(9-3)19-27-23(25)15-17-29-31(5,6)30-18-16-24(26)28-20-22(10-4)14-12-8-2/h21-22H,7-20H2,1-6H3


name: Tris(2,5,8,11-tetraoxatridecyl) orthoborate
cas: 57057-98-4
dtxsid: DTXSID40972530
formula: C27H57BO15
inchikey: UIEDYIVSCRTJDQ-UHFFFAOYSA-N
norman_susdat_id: NS00054477
pubchem_cid: 92641
smiles: O(B(OCCOCCOCCOCCOC)OCCOCCOCCOCCOC)CCOCCOCCOCCOC
inchi:
InChI=1/C27H57BO15/c1-29-4-7-32-10-13-35-16-19-38-22-25-41-28(42-26-23-39-20-17-36-14-11-33-8-5-30-2)43-27-24-40-21-18-37-15-12-34-9-6-31-3/h4-27H2,1-3H3


name: 3-(acetoxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-pyrido[3,2-e]-1,4-diazepin-2-one
cas: 57059-34-4
dtxsid: DTXSID00972531
formula: C16H11Cl2N3O3
inchikey: UYCMAQWEBUMMAV-UHFFFAOYSA-N
norman_susdat_id: NS00054025
pubchem_cid: 92642
smiles: O=C(OC1N=C(C=2N=C(Cl)C=CC2NC1=O)C=3C=CC=CC3Cl)C
inchi:
InChI=1/C16H11Cl2N3O3/c1-8(22)24-16-15(23)19-11-6-7-12(18)20-14(11)13(21-16)9-4-2-3-5-10(9)17/h2-7,16H,1H3,(H,19,23)


name: 3-[tris(2-methoxyethoxy)silyl]propyl methacrylate
cas: 57069-48-4
dtxsid: DTXSID7069154
formula: C16H32O8Si
inchikey: DMZPTAFGSRVFIA-UHFFFAOYSA-N
norman_susdat_id: NS00054524
pubchem_cid: 92644
smiles: O=C(OCCC[Si](OCCOC)(OCCOC)OCCOC)C(=C)C
inchi:
InChI=1/C16H32O8Si/c1-15(2)16(17)21-7-6-14-25(22-11-8-18-3,23-12-9-19-4)24-13-10-20-5/h1,6-14H2,2-5H3


cas: 57071-02-0
chemspiderid: 83633
dtxsid: DTXSID30205682
formula: C21H26N4O2S1
inchikey: ZPQXPCFUSWSISP-UHFFFAOYSA-N
norman_susdat_id: NS00033638
pubchem_cid: 92647
smiles: CCn1c(=CC=C2C(=O)N(CC)C(=S)N(CC)C2=O)n(CC)c2c1cccc2
name:
5-((1,3-Diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)ethylidene)-1,3-diethyldihydro-2-thioxo-1H,5H-pyrimidine-4,6-dione

inchi:
InChI=1S/C21H26N4O2S/c1-5-22-16-11-9-10-12-17(16)23(6-2)18(22)14-13-15-19(26)24(7-3)21(28)25(8-4)20(15)27/h9-14H,5-8H2,1-4H3


name: 1,1'-dimethyl-2,2'-oxydiethylene bis(diphenyl phosphite)
cas: 57077-45-9
dtxsid: DTXSID00972551
formula: C30H32O7P2
inchikey: XZZWOTQMUOIIFX-UHFFFAOYSA-N
norman_susdat_id: NS00055395
pubchem_cid: 14121743
smiles: O(C=1C=CC=CC1)P(OC=2C=CC=CC2)OC(C)COCC(OP(OC=3C=CC=CC3)OC=4C=CC=CC4)C
inchi:
InChI=1/C30H32O7P2/c1-25(32-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)23-31-24-26(2)33-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3


name: (Z)-N-(3-carboxy-1-oxoallyl)-DL-methionine
cas: 57079-19-3
formula: C9H13NO5S
inchikey: FJZYCKGQUGEQLO-GFNSNHMOSA-N
norman_susdat_id: NS00054482
pubchem_cid: 20838713
smiles: O=C(O)C=CC(=O)NC(C(=O)O)CCSC
inchi:
InChI=1/C9H13NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)


name: Peralopride
cas: 57083-89-3
chemspiderid: 62012
dtxsid: DTXSID50205705
formula: C20H22Cl1N3O4
inchikey: XBYVCKARLGAKEX-UHFFFAOYSA-N
norman_susdat_id: NS00033639
pubchem_cid: 68768
smiles: COc1c(cc(Cl)c(N)c1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
inchi:
InChI=1S/C20H22ClN3O4/c1-26-18-10-16(22)15(21)9-14(18)20(25)24-6-4-23(5-7-24)11-13-2-3-17-19(8-13)28-12-27-17/h2-3,8-10H,4-7,11-12,22H2,1H3


name: N-(2-Hydroxyethyl)octadeca-9,12,15-trienamide
cas: 57086-93-8
chebiid: CHEBI:89605
chemspiderid: 4446569
dtxsid: DTXSID30694017
formula: C20H35N1O2
inchikey: HBJXRRXWHSHZPU-PDBXOOCHSA-N
norman_susdat_id: NS00016761
pubchem_cid: 5283449
smiles: CCC=CCC=CCC=CCCCCCCCC(=O)NCCO
inchi:
InChI=1S/C20H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h3-4,6-7,9-10,22H,2,5,8,11-19H2,1H3,(H,21,23)/b4-3-,7-6-,10-9-


name: 2,14,15-trimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadec-6-ene-5,14-diol
cas: 571-03-9
formula: C20H32O2
inchikey: BNUOCVTVOYWNJC-DTMQFJJTSA-N
norman_susdat_id: NS00072240
pubchem_cid: 69259387
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
inchi:
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,14-17,21-22H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1


name: 3beta-Androstanediol
cas: 571-20-0
chebiid: CHEBI:18329
dtxsid: DTXSID8022379
formula: C19H32O2
inchikey: CBMYJHIOYJEBSB-YSZCXEEOSA-N
norman_susdat_id: NS00067929
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1


name: 2,15-dimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadec-7-ene-5,14-dione
cas: 571-36-8
chebiid: CHEBI:83865
dtxsid: DTXSID10862217
formula: C19H26O2
inchikey: SQGZFRITSMYKRH-QAGGRKNESA-N
norman_susdat_id: NS00073271
pubchem_cid: 160531
smiles: C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,14-16H,4-11H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1


name: 1-Androstenedione
cas: 571-40-4
chebiid: CHEBI:133930
dtxsid: DTXSID60458467
formula: C19H26O2
inchikey: WJIQCDPCDVWDDE-WZNAKSSCSA-N
norman_susdat_id: NS00067987
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-16H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1


name: 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxy-
cas: 571-74-4
chebiid: CHEBI:9131
chemspiderid: 4445015
dtxsid: DTXSID00205715
formula: C16H12O7
inchikey: AZFYHRHUTXBGJS-UHFFFAOYSA-N
norman_susdat_id: NS00094602
pubchem_cid: 5281698
smiles: COC1=C(O)C=C(O)C2=C1OC(=C(O)C2=O)C1=CC=C(O)C=C1
inchi:
InChI=1S/C16H12O7/c1-22-15-10(19)6-9(18)11-12(20)13(21)14(23-16(11)15)7-2-4-8(17)5-3-7/h2-6,17-19,21H,1H3


name: 2,4,6-Tris(nonadecafluorononyl)-1,3,5-triazine
cas: 57101-59-4
chemspiderid: 552157
dtxsid: DTXSID10205721
formula: C30F57N3
inchikey: RTAZGRONMASOMW-UHFFFAOYSA-N
norman_susdat_id: NS00019142
pubchem_cid: 636356
inchi:
InChI=1S/C30F57N3/c31-4(32,7(37,38)10(43,44)13(49,50)16(55,56)19(61,62)22(67,68)25(73,74)28(79,80)81)1-88-2(5(33,34)8(39,40)11(45,46)14(51,52)17(57,58)20(63,64)23(69,70)26(75,76)29(82,83)84)90-3(89-1)6(35,36)9(41,42)12(47,48)15(53,54)18(59,60)21(65,66)24(71,72)27(77,78)30(85,86)87

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)C1=NC(=NC(=N1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(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: 4,4'-(1,2-Ethanediylbis(oxy))bis(3-chlorobenzoic) acid
cas: 57101-71-0
chemspiderid: 83646
dtxsid: DTXSID70205722
formula: C16H12Cl2O6
inchikey: BLTVSIJVJFEGQK-UHFFFAOYSA-N
norman_susdat_id: NS00033641
pubchem_cid: 92662
smiles: OC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2)C(=O)O)cc1
inchi:
InChI=1S/C16H12Cl2O6/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)


name: N-(3-Indolylacetyl)-L-valine
cas: 57105-42-7
chebiid: CHEBI:177043
dtxsid: DTXSID70332229
formula: C15H18N2O3
inchikey: AZEGJHGXTSUPPG-AWEZNQCLSA-N
norman_susdat_id: NS00068190
pubchem_cid: 446641
smiles: CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O
inchi:
InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1


name: Acetoxytrimethylplumbane
cas: 5711-19-3
formula: C5H12O2Pb
inchikey: WWMVIEUWJUEIKF-UHFFFAOYSA-M
norman_susdat_id: NS00082253
smiles: CC(=O)O[Pb](C)(C)C
inchi:
InChI=1/C2H4O2.3CH3.Pb/c1-2(3)4;;;;/h1H3,(H,3,4);3*1H3;/q;;;;+1/p-1/rC5H12O2Pb/c1-5(6)7-8(2,3)4/h1-4H3


cas: 57116-45-7
chemspiderid: 83650
dtxsid: DTXSID6044696
formula: C20H33N3O7
inchikey: KAPCRJOPWXUMSQ-UHFFFAOYSA-N
norman_susdat_id: NS00020668
pubchem_cid: 92667
smiles: OCC(COC(=O)CCN1CC1)(COC(=O)CCN1CC1)COC(=O)CCN1CC1
name:
3-{[3-(Aziridin-1-yl)propanoyl]oxy}-2-({[3-(aziridin-1-yl)propanoyl]oxy}methyl)-2-(hydroxymethyl)propyl 3-(aziridin-1-yl)propanoate

inchi:
InChI=1S/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2


name: Impranine
cas: 571167-90-3
chemspiderid: 639687
formula: C28H45NO2
inchikey: YWTDTKWYDRWAKX-BDHLFTEASA-N
norman_susdat_id: NS00094281
pubchem_cid: 555096
smiles:
C[C@H]1CC[C@H](N(C1)C)[C@@H](C)[C@H]2C[C@@]3(C[C@@H]4[C@@H]([C@H]3C=C2)CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C


name: Dihydroimpranine
cas: 571167-91-4
formula: C28H47NO2
inchikey: WMVFFRXSRDHDPV-LEIMWKHHSA-N
norman_susdat_id: NS00094282
smiles:
C[C@H]1CC[C@H]([C@@H](C)[C@@H]2C=C[C@H]3[C@@H]4C[C@H]([C@H]5C[C@H](CC[C@]5(C)[C@H]4C[C@@]3(C)C2)O)O)N(C)C1


name: laropiprant
cas: 571170-77-9
chemspiderid: 8392225
formula: C21H19Cl1F1N1O4S1
inchikey: NXFFJDQHYLNEJK-UHFFFAOYSA-N
norman_susdat_id: NS00004086
pubchem_cid: 10216733
smiles: CS(=O)(=O)c1cc(F)cc2c3CCC(CC(O)=O)c3n(Cc3ccc(Cl)cc3)c12
inchi:
InChI=1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)


name: Tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
cas: 571188-59-5
chemspiderid: 9912232
dtxsid: DTXSID10471464
formula: C14H22N4O2
inchikey: RMULRXHUNOVPEI-UHFFFAOYSA-N
norman_susdat_id: NS00002226
pubchem_cid: 11737525
smiles: CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(N)nc1
inchi:
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11/h4-5,10H,6-9H2,1-3H3,(H2,15,16)


name: Palbociclib
cas: 571189-11-2
chebiid: CHEBI:85993
dtxsid: DTXSID40972590
formula: C24H29N7O2
inchikey: AHJRHEGDXFFMBM-UHFFFAOYSA-N
norman_susdat_id: NS00069617
pubchem_cid: 5330286
smiles: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
inchi:
InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)


name: Tert-butyl 4-(6-nitropyridin-3-yl)piperazine-1-carboxylate
cas: 571189-16-7
chemspiderid: 9418794
dtxsid: DTXSID00459953
formula: C14H20N4O4
inchikey: SUWKOEMQNOBJEQ-UHFFFAOYSA-N
norman_susdat_id: NS00001807
pubchem_cid: 11243758
smiles: CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(nc1)[N+]([O-])=O
inchi:
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-16(7-9-17)11-4-5-12(15-10-11)18(20)21/h4-5,10H,6-9H2,1-3H3


name: Ethanol, 2-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]ethoxy]-, acetate (ester)
cas: 57119-83-2
chemspiderid: 83652
dtxsid: DTXSID2069157
formula: C22H20Br1N5O7
inchikey: INEGGYCDKNFPJG-UHFFFAOYSA-N
norman_susdat_id: NS00033643
pubchem_cid: 92669
smiles: CC(=O)OCCOCCNc1c2ccccc2c(cc1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C22H20BrN5O7/c1-14(29)35-11-10-34-9-8-24-19-6-7-20(17-5-3-2-4-16(17)19)25-26-22-18(23)12-15(27(30)31)13-21(22)28(32)33/h2-7,12-13,24H,8-11H2,1H3/b26-25+


name: 4-(4-Ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
cas: 5712-36-7
dtxsid: DTXSID40384755
formula: C21H24N2O
inchikey: UTCBNEKLZHKTHN-UHFFFAOYSA-N
norman_susdat_id: NS00096558
smiles: CCC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)C)C#N
inchi:
InChI=1S/C21H24N2O/c1-5-14-6-8-15(9-7-14)19-16(12-22)13(2)23-17-10-21(3,4)11-18(24)20(17)19/h6-9,19,23H,5,10-11H2,1-4H3


name: 4'-dodecyl[1,1'-biphenyl]-4-carbonitrile
cas: 57125-49-2
dtxsid: DTXSID00886220
formula: C25H33N
inchikey: YTXPODSLSFRTBJ-UHFFFAOYSA-N
norman_susdat_id: NS00054573
pubchem_cid: 92673
smiles: N#CC=1C=CC(=CC1)C2=CC=C(C=C2)CCCCCCCCCCCC
inchi:
InChI=1/C25H33N/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-17-24(18-14-22)25-19-15-23(21-26)16-20-25/h13-20H,2-12H2,1H3


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(dodecyloxy)-
cas: 57125-50-5
chemspiderid: 83657
dtxsid: DTXSID2069159
formula: C25H33N1O1
inchikey: WYSZDBDWXPAHDS-UHFFFAOYSA-N
norman_susdat_id: NS00033645
pubchem_cid: 92674
smiles: CCCCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3


name: Cannabichromevarin
cas: 57130-04-8
dtxsid: DTXSID20961664
formula: C19H26O2
inchikey: AAXZFUQLLRMVOG-UHFFFAOYSA-N
norman_susdat_id: NS00097766
smiles: CCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1)O
inchi:
InChI=1S/C19H26O2/c1-5-7-15-12-17(20)16-9-11-19(4,21-18(16)13-15)10-6-8-14(2)3/h8-9,11-13,20H,5-7,10H2,1-4H3


name: N,N'-bis(2-aminoethyl)ethylenediamine, mono[1-methyl-2-(octyloxy)ethyl] derivative
cas: 57130-80-0
dtxsid: DTXSID80972599
formula: C17H40N4O
inchikey: NEYQJWIFNBCOHF-UHFFFAOYSA-N
norman_susdat_id: NS00054544
pubchem_cid: 92675
smiles: O(CCCCCCCC)CC(NCCNCCNCCN)C
inchi:
InChI=1/C17H40N4O/c1-3-4-5-6-7-8-15-22-16-17(2)21-14-13-20-12-11-19-10-9-18/h17,19-21H,3-16,18H2,1-2H3


name: Proglumetacin
cas: 57132-53-3
chebiid: CHEBI:76263
chemspiderid: 4752
dtxsid: DTXSID0048842
formula: C46H58Cl1N5O8
inchikey: PTXGHCGBYMQQIG-UHFFFAOYSA-N
norman_susdat_id: NS00004776
pubchem_cid: 4921
inchi:
InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)

smiles:
CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1


name: 3-Hydroxy-2-(3-(morpholino)propyl)naphthalene-1-carboxamide
cas: 57133-25-2
chemspiderid: 71978
dtxsid: DTXSID90205769
formula: C18H22N2O3
inchikey: QOZVTDMGRXVAPM-UHFFFAOYSA-N
norman_susdat_id: NS00033647
pubchem_cid: 92678
smiles: NC(=O)c1c2ccccc2cc(O)c1CCCN1CCOCC1
inchi:
InChI=1S/C18H22N2O3/c19-18(22)17-14-5-2-1-4-13(14)12-16(21)15(17)6-3-7-20-8-10-23-11-9-20/h1-2,4-5,12,21H,3,6-11H2,(H2,19,22)


cas: 57137-50-5
chemspiderid: 83666
dtxsid: DTXSID6069161
formula: C14H31N5
inchi: InChI=1S/C14H31N5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h15-17H,5-12H2,1-4H3
inchikey: RNSVADAHBNMOEI-UHFFFAOYSA-N
norman_susdat_id: NS00033650
pubchem_cid: 92683
smiles: CC(=NCCNCCNCCNCCN=C(C)C)C
name:
1,2-Ethanediamine, N-[2-[(1-methylethylidene)amino]ethyl]-N'-[2-[[2-[(1-methylethylidene)amino]ethyl]amino]ethyl]-


name: 2-acetyl-10-[3-[4-(2-hydroxyethyl)piperazinyl]propyl]-10H-phenothiazine dimaleate
cas: 5714-00-1
chebiid: CHEBI:2402
dtxsid: DTXSID7047851
formula: C23H29N3O2S
inchikey: NUKVZKPNSKJGBK-SPIKMXEPSA-N
norman_susdat_id: NS00046140
pubchem_cid: 17676
smiles: O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(CCO)CC4)C
inchi:
InChI=1/C23H29N3O2S.2C4H4O4/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)


name: 3-Methoxyandrosta-3,5-dien-17-one
cas: 57144-06-6
chemspiderid: 83670
dtxsid: DTXSID00205775
formula: C20H28O2
inchikey: WSIQEGIPGPEMTC-TXTPUJOMSA-N
norman_susdat_id: NS00006972
pubchem_cid: 92687
smiles: COC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
inchi:
InChI=1S/C20H28O2/c1-19-10-8-14(22-3)12-13(19)4-5-15-16-6-7-18(21)20(16,2)11-9-17(15)19/h4,12,15-17H,5-11H2,1-3H3/t15-,16-,17-,19-,20-/m0/s1


name: Naftopidil
cas: 57149-07-2
dtxsid: DTXSID5045176
formula: C24H28N2O3
inchikey: HRRBJVNMSRJFHQ-HXUWFJFHSA-N
norman_susdat_id: NS00071605
pubchem_cid: 6603939
smiles: COc1ccccc1N1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1
inchi:
InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3/t20-/m1/s1


name: Disodium 4-[(3-carboxylato-4-hydroxy-1-naphthyl)phenylmethylene]-1,4-dihydro-1-oxo-2-naphthoate
cas: 5715-76-4
formula: C29H18O6
inchikey: YMXSSEMZYBUPOI-UHFFFAOYSA-L
norman_susdat_id: NS00047420
pubchem_cid: 111093
smiles: [Na+].[Na+].O=C([O-])C1=CC(C=2C=CC=CC2C1=O)=C(C=3C=CC=CC3)C4=CC(C(=O)[O-])=C(O)C=5C=CC=CC54
inchi:
InChI=1/C29H18O6.2Na/c30-26-19-12-6-4-10-17(19)21(14-23(26)28(32)33)25(16-8-2-1-3-9-16)22-15-24(29(34)35)27(31)20-13-7-5-11-18(20)22;;/h1-15,30H,(H,32,33)(H,34,35);;/q;2*+1/p-2


name: Adogen 283
cas: 57157-80-9
chemspiderid: 83674
dtxsid: DTXSID20205792
formula: C26H55N1
inchikey: YOFPVMWVLDSWKR-UHFFFAOYSA-N
norman_susdat_id: NS00033652
pubchem_cid: 92691
smiles: CC(C)CCCCCCCCCCNCCCCCCCCCCC(C)C
inchi:
InChI=1S/C26H55N/c1-25(2)21-17-13-9-5-7-11-15-19-23-27-24-20-16-12-8-6-10-14-18-22-26(3)4/h25-27H,5-24H2,1-4H3


name: Dehydroisoandrosterone 3-glucuronide
cas: 5716-14-3
chemspiderid: 4284399
dtxsid: DTXSID30408434
formula: C25H36O8
inchikey: GLONBVCUAVPJFV-UHFFFAOYSA-N
norman_susdat_id: NS00009039
pubchem_cid: 5109183
smiles: CC12CCC3C(CC=C4CC(CCC34C)OC3OC(C(O)C(O)C3O)C(O)=O)C1CCC2=O
inchi:
InChI=1S/C25H36O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h3,13-16,18-21,23,27-29H,4-11H2,1-2H3,(H,30,31)


name: Bamethan sulphate
cas: 5716-20-1
formula: C12H19NO2.1/2H2O4S
inchikey: LHQHLXHNHWARAM-UHFFFAOYSA-N
norman_susdat_id: NS00082254
smiles: CCCCNCC(O)c1ccc(O)cc1.OS(=O)(=O)O
inchi:
InChI=1/C12H19NO2.H2O4S/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10;1-5(2,3)4/h4-7,12-15H,2-3,8-9H2,1H3;(H2,1,2,3,4)


cas: 57167-02-9
formula: C46H36N10O13S3
inchikey: GJCOTXMVFXWCSI-UHFFFAOYSA-M
norman_susdat_id: NS00055441
pubchem_cid: 135571055
name:
2,7-Naphthalenedisulfonic acid, 5-[(2-amino-4-hydroxyphenyl)azo]-3-[[4'-[[7-[(2-amino-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxy-, sodium salt

inchi:
InChI=1/C46H36N10O13S3.Na/c1-22-13-24(4-9-35(22)50-55-43-40(71(64,65)66)16-26-3-6-28(18-32(26)45(43)59)49-52-37-11-7-29(57)19-33(37)47)25-5-10-36(23(2)14-25)51-56-44-41(72(67,68)69)17-27-15-31(70(61,62)63)21-39(42(27)46(44)60)54-53-38-12-8-30(58)20-34(38)48;/h3-21,57-60H,47-48H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C=1C=C2C=C(C=C(N=NC3=CC=C(O)C=C3N)C2=C(O)C1N=NC4=CC=C(C=C4C)C5=CC=C(N=NC=6C(O)=C7C=C(N=NC8=CC=C(O)C=C8N)C=CC7=CC6S(=O)(=O)O)C(=C5)C)S(=O)(=O)O


name: Ethyl 2-(triphenylphosphoranylidene)propionate
cas: 5717-37-3
chemspiderid: 72085
dtxsid: DTXSID20205818
formula: C23H23O2P1
inchikey: KZENFXVDPUMQOE-UHFFFAOYSA-N
norman_susdat_id: NS00033656
pubchem_cid: 79792
smiles: CCOC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C
inchi:
InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3


name: Dipotassium tetradec-2-enylsuccinate
cas: 57170-02-2
formula: C18H32O4.2K
inchikey: JRHLLAQEXYJMGV-UHFFFAOYSA-L
norman_susdat_id: NS00087883
smiles: [K+].[K+].[O-]C(=O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(CC=CCCCCCCC)(CC=CCCCCCCC)C([O-])=O
inchi:
InChI=1/C44H78O4.2K/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4;;/h29-36H,5-28,37-40H2,1-4H3,(H,45,46)(H,47,48);;/q;2*+1/p-2


name: Dipotassium octadec-2-enylsuccinate
cas: 57170-05-5
formula: C22H40O4
inchikey: KBODHJSZTFLROJ-UHFFFAOYSA-L
norman_susdat_id: NS00053278
pubchem_cid: 53436559
smiles: [K+].[K+].O=C([O-])CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H40O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26)19-21(23)24;;/h16-17,20H,2-15,18-19H2,1H3,(H,23,24)(H,25,26);;/q;2*+1/p-2


name: Dipotassium dodec-2-enylsuccinate
cas: 57170-07-7
formula: C16H28O4.2K
inchikey: AQWHEUOSFAMWCV-UHFFFAOYSA-L
norman_susdat_id: NS00086765
smiles: [K+].[K+].[O-]C(=O)CC(CC=CCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C16H28O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


cas: 57171-56-9
formula: C114H206O12
norman_susdat_id: NS00101746
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[[(9Z)-1-oxo-9-octadecenyl]oxy]-, ether with D-glucitol (6:1)


name: Benzyl L-argininate
cas: 57177-89-6
formula: C13H20N4O2
inchikey: JSCSSJKVVXQJON-NSHDSACASA-N
norman_susdat_id: NS00086766
smiles: N[C@@H](CCCNC(=N)N)C(=O)OCc1ccccc1
inchi:
InChI=1/C13H20N4O2/c14-11(7-4-8-17-13(15)16)12(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H4,15,16,17)


cas: 5718-26-3
dtxsid: DTXSID00884185
formula: C25H25N3O3
inchikey: GSYLGDNZCGXCAQ-UHFFFAOYSA-N
norman_susdat_id: NS00046142
pubchem_cid: 57351062
smiles: O=C(OC)C1=CC=C2C(=C1)C(C(=CC=C3C(=O)N(N=C3C)C=4C=CC=CC4)N2C)(C)C
name:
Methyl 2-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-1,3,3-trimethylindoline-5-carboxylate

inchi:
InChI=1/C25H25N3O3/c1-16-19(23(29)28(26-16)18-9-7-6-8-10-18)12-14-22-25(2,3)20-15-17(24(30)31-5)11-13-21(20)27(22)4/h6-15H,1-5H3


cas: 57184-01-7
chemspiderid: 4955821
dtxsid: DTXSID50205821
formula: C14H20N2O5S1
inchikey: ZNVKBPYJZVZTDZ-JHQAJZDGSA-N
norman_susdat_id: NS00033657
pubchem_cid: 6453446
smiles: [Cl-].CC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)OCOC(=O)C(C)(C)C.[H+]
name:
(Pivaloyloxy)methyl (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate monohydrochloride

inchi:
InChI=1S/C14H20N2O5S/c1-7-5-22-11-8(15)10(17)16(11)9(7)12(18)20-6-21-13(19)14(2,3)4/h8,11H,5-6,15H2,1-4H3/t8-,11+/m1/s1


name: Paxilline
cas: 57186-25-1
chebiid: CHEBI:34907
chemspiderid: 94753
formula: C27H33N1O4
inchikey: ACNHBCIZLNNLRS-UBGQALKQSA-N
norman_susdat_id: NS00010358
pubchem_cid: 105008
smiles: C[C@]12CC[C@H]3C(=CC(=O)[C@H](O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(c5c(c6ccccc6[nH]5)C4)C)O
inchi:
InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1


name: Thiosulfuric acid (H2S2O3), SS,SS-1,6-hexanediyl ester, sodium salt (1:2)
cas: 5719-73-3
dtxsid: DTXSID3042473
formula: C6H12Na2O6S4
inchikey: QXYKBSYRGILOTK-UHFFFAOYSA-L
norman_susdat_id: NS00113359
smiles: [Na+].[Na+].[O-]S(=O)(=O)SCCCCCCSS([O-])(=O)=O
inchi:
InChI=1S/C6H14O6S4.2Na/c7-15(8,9)13-5-3-1-2-4-6-14-16(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2


name: Dilithium dodecenylsuccinate
cas: 57195-23-0
formula: C16H28O4.2Li
inchikey: VBCCNQNWGQWHKK-UHFFFAOYSA-L
norman_susdat_id: NS00086693
smiles: [Li+].[Li+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C16H28O4.2Li/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: Disodium dodecenylsuccinate
cas: 57195-26-3
formula: C16H28O4.2Na
inchikey: UOBFGRVCPMFAPP-UHFFFAOYSA-L
norman_susdat_id: NS00086694
smiles: [Na+].[Na+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C16H28O4.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: Dipotassium dodecenylsuccinate
cas: 57195-28-5
formula: C16H28O4.2K
inchikey: SSTYWPTVKANJHN-UHFFFAOYSA-L
norman_susdat_id: NS00086695
smiles: [K+].[K+].[O-]C(=O)CC(C=CCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C16H28O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;;/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: Avicularin
cas: 572-30-5
chebiid: CHEBI:65460
dtxsid: DTXSID60205832
formula: C20H18O11
inchikey: BDCDNTVZSILEOY-UXYNSRGZSA-N
norman_susdat_id: NS00097554
smiles: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O
inchi:
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1


name: (9R)-6'-methoxycinchonan-9-ol
cas: 572-59-8
formula: C20H24N2O2
inchikey: LOUPRKONTZGTKE-AFHBHXEDSA-N
norman_susdat_id: NS00080053
smiles: COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
inchi:
InChI=1/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3


name: [R-[R*,R*-(E)]]-2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
cas: 572-96-3
formula: C31H48O2
inchikey: BUFJIHPUGZHTHL-UHFFFAOYSA-N
norman_susdat_id: NS00042861
pubchem_cid: 5189703
smiles: OC=1C=2C=CC=CC2C(O)=C(C1C)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
inchi:
InChI=1/C31H48O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24,32-33H,9-17,21H2,1-6H3


name: Bismuth(3+) gallate
cas: 57206-57-2
formula: C7H6O5.1/3Bi
inchikey: XCBQHKQWHORJJJ-UHFFFAOYSA-K
norman_susdat_id: NS00086696
smiles: [BiH3+3].Oc1cc(cc(O)c1O)C(=O)[O-].Oc2cc(cc(O)c2O)C(=O)[O-].Oc3cc(cc(O)c3O)C(=O)[O-]
inchi:
InChI=1/3C7H6O5.Bi.3H/c3*8-4-1-3(7(11)12)2-5(9)6(4)10;;;;/h3*1-2,8-10H,(H,11,12);;;;/q;;;+3;;;/p-3/r3C7H6O5.BiH3/c3*8-4-1-3(7(11)12)2-5(9)6(4)10;/h3*1-2,8-10H,(H,11,12);1H3/q;;;+3/p-3


name: Sodium bis[1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-)
cas: 57206-81-2
formula: C32H18CrN6O8.Na
inchikey: MRNWMCMUBTXAIQ-UHFFFAOYSA-J
norman_susdat_id: NS00086697
smiles: [Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O
inchi:
InChI=1/2C16H11N3O4.Cr.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/rC32H19CrN6O8.Na/c40-27-13-11-21(38(41)42)17-25(27)34-36-31-23-7-3-1-5-19(23)9-14-29(31)46-33-45-28-16-12-22(39(43)44)18-26(28)35-37-32-24-8-4-2-6-20(24)10-15-30(32)47-33;/h1-18,40H;/q;+1/p-1


name: Sodium bis[1-[[2-hydroxy-3-nitro-5-tert-pentylphenyl]azo]-2-naphtholato(2-)]chromate(1-)
cas: 57206-83-4
formula: C42H38CrN6O8.Na
inchikey: BOPURGSMTQZRHV-UHFFFAOYSA-J
norman_susdat_id: NS00087397
inchi:
InChI=1/2C21H21N3O4.Cr.Na/c2*1-4-21(2,3)14-11-16(20(26)17(12-14)24(27)28)22-23-19-15-8-6-5-7-13(15)9-10-18(19)25;;/h2*5-12,25-26H,4H2,1-3H3;;/q;;+3;+1/p-4/rC42H39CrN6O8.Na/c1-7-41(3,4)27-21-31(39(50)33(23-27)48(51)52)44-46-37-29-15-11-9-13-25(29)17-19-35(37)55-43-56-36-20-18-26-14-10-12-16-30(26)38(36)47-45-32-22-28(42(5,6)8-2)24-34(49(53)54)40(32)57-43;/h9-24,50H,7-8H2,1-6H3;/q;+1/p-1

smiles:
CCC(C)(C)c1cc(N=Nc2c(O[Cr]3Oc4ccc5ccccc5c4N=Nc6cc(cc(c6O3)N(=O)=O)C(C)(C)CC)ccc7ccccc27)c(O[Na])c(c1)N(=O)=O


name: N-(4-chlorophenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
cas: 57206-89-0
formula: C17H16ClN4O4
inchikey: DZPAQLHIDOYCNQ-UHFFFAOYSA-N
norman_susdat_id: NS00053786
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C=C1)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)C
inchi:
InChI=1/C17H15ClN4O4/c1-10-3-8-14(15(9-10)22(25)26)20-21-16(11(2)23)17(24)19-13-6-4-12(18)5-7-13/h3-9,16H,1-2H3,(H,19,24)


name: 2-[(4-methyl-2-nitrophenyl)azo]-3-oxo-N-(p-tolyl)butyramide
cas: 57206-92-5
formula: C18H19N4O4
inchikey: HGJWARUBRHEKRD-UHFFFAOYSA-N
norman_susdat_id: NS00053725
pubchem_cid: NA
smiles: O=C(NC1=CC=C(C=C1)C)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)C
inchi:
InChI=1/C18H18N4O4/c1-11-4-7-14(8-5-11)19-18(24)17(13(3)23)21-20-15-9-6-12(2)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)


name: 4-[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonic acid
cas: 57206-99-2
formula: C16H13ClN4O7S
inchikey: SOHDXWQRPBWYOO-UHFFFAOYSA-N
norman_susdat_id: NS00086370
smiles: Clc2ccccc2NC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)C(C)=O
inchi:
InChI=1/C16H13ClN4O7S/c1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25/h2-8,15H,1H3,(H,18,23)(H,26,27,28)


name: 4-[[2-[(4-methyl-2-nitrophenyl)azo]-1,3-dioxobutyl]amino]benzenesulphonic acid
cas: 57207-07-5
formula: C17H17N4O7S
inchikey: GXGINBOQJUFKAI-UHFFFAOYSA-N
norman_susdat_id: NS00053787
pubchem_cid: 92706
smiles: O=C(NC1=CC=C(C=C1)S(=O)(=O)O)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)C
inchi:
InChI=1/C17H16N4O7S/c1-10-3-8-14(15(9-10)21(24)25)19-20-16(11(2)22)17(23)18-12-4-6-13(7-5-12)29(26,27)28/h3-9,16H,1-2H3,(H,18,23)(H,26,27,28)


name: Tetrapentylthioperoxydicarbamic acid
cas: 5721-31-3
formula: C22H44N2S4
inchikey: HDKVJYLPNIUCJJ-UHFFFAOYSA-N
norman_susdat_id: NS00047334
pubchem_cid: 79800
smiles: S=C(SSC(=S)N(CCCCC)CCCCC)N(CCCCC)CCCCC
inchi:
InChI=1/C22H44N2S4/c1-5-9-13-17-23(18-14-10-6-2)21(25)27-28-22(26)24(19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3


name: Desmethylmaprotiline
cas: 5721-37-9
chebiid: CHEBI:173873
chemspiderid: 106651
dtxsid: DTXSID80205839
formula: C19H21N1
inchikey: IFHUOEQJTQWFGJ-UHFFFAOYSA-N
norman_susdat_id: NS00007458
pubchem_cid: 119409
smiles: NCCCC12CCC(c3ccccc13)c1ccccc21
inchi:
InChI=1S/C19H21N/c20-13-5-11-19-12-10-14(15-6-1-3-8-17(15)19)16-7-2-4-9-18(16)19/h1-4,6-9,14H,5,10-13,20H2


name: Testosterone decanoate
cas: 5721-91-5
chebiid: CHEBI:35000
chemspiderid: 136680
dtxsid: DTXSID5046198
formula: C29H46O3
inchikey: LBERVHLCXUMDOT-MPZZESAYSA-N
norman_susdat_id: NS00015422
pubchem_cid: 155143
smiles: CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1


name: [2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]trimethylammonium chloride
cas: 57210-34-1
formula: C19H26N5O2.Cl
inchikey: CDXPPAZRPFJAIY-UHFFFAOYSA-M
norman_susdat_id: NS00086371
smiles: [Cl-].[O-][N+](=O)c2ccc(N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)cc2
inchi:
InChI=1/C19H26N5O2.ClH/c1-5-22(14-15-24(2,3)4)18-10-6-16(7-11-18)20-21-17-8-12-19(13-9-17)23(25)26;/h6-13H,5,14-15H2,1-4H3;1H/q+1;/p-1


name: Bis(pentabromophenyl) terephthalate
cas: 57212-63-2
dtxsid: DTXSID10972668
formula: C20H4Br10O4
inchikey: SIHNZOFIOMYDFF-UHFFFAOYSA-N
norman_susdat_id: NS00054618
pubchem_cid: 21116848
smiles: O=C(OC=1C(Br)=C(Br)C(Br)=C(Br)C1Br)C2=CC=C(C=C2)C(=O)OC=3C(Br)=C(Br)C(Br)=C(Br)C3Br
inchi:
InChI=1/C20H4Br10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-1-2-6(4-3-5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H


name: [(3,5,6-trichloro-2-pyridyl)oxy]acetic acid, compound with triethylamine (1:1)
cas: 57213-69-1
formula: C7H4Cl3NO3.C6H15N
inchikey: ROKVVMOXSZIDEG-UHFFFAOYSA-N
norman_susdat_id: NS00086767
smiles: CCN(CC)CC.OC(=O)COc1nc(Cl)c(Cl)cc1Cl
inchi:
InChI=1/C7H4Cl3NO3.C6H15N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-4-7(5-2)6-3/h1H,2H2,(H,12,13);4-6H2,1-3H3


name: (1-phenylethyl)[1-(3,4-xylyl)ethyl]benzene
cas: 57213-94-2
dtxsid: DTXSID80972670
formula: C24H26
inchikey: ZZMDTHIZLUEJET-UHFFFAOYSA-N
norman_susdat_id: NS00053293
pubchem_cid: 92711
smiles: C=1C=CC(=CC1)CCC(C=2C=CC=CC2)(C3=CC=C(C(=C3)C)C)C
inchi:
InChI=1/C24H26/c1-19-14-15-23(18-20(19)2)24(3,22-12-8-5-9-13-22)17-16-21-10-6-4-7-11-21/h4-15,18H,16-17H2,1-3H3


name: 2,5-diisooctylhydroquinone
cas: 57214-69-4
dtxsid: DTXSID40972671
formula: C22H38O2
inchikey: ZIASSHGVJYKYSN-UHFFFAOYSA-N
norman_susdat_id: NS00053788
pubchem_cid: 92712
smiles: OC=1C=C(C(O)=C(C1)CCCCCC(C)C)CCCCCC(C)C
inchi:
InChI=1/C22H38O2/c1-17(2)11-7-5-9-13-19-15-21(23)16-20(22(19)24)14-10-6-8-12-18(3)4/h15-18,23-24H,5-14H2,1-4H3


name: Magnesium 8-aminonaphthalene-1-sulphonate
cas: 57215-96-0
formula: C10H9NO3S.1/2Mg
inchikey: RUGUJDHXRNYMLU-UHFFFAOYSA-L
norman_susdat_id: NS00087398
smiles: [Mg+2].Nc1cccc2cccc(c12)S(=O)(=O)[O-].Nc3cccc4cccc(c34)S(=O)(=O)[O-]
inchi:
InChI=1/2C10H9NO3S.Mg/c2*11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14;/h2*1-6H,11H2,(H,12,13,14);/q;;+2/p-2


name: Magnesium 5-aminonaphthalene-1-sulphonate
cas: 57215-97-1
formula: C10H9NO3S.1/2Mg
inchikey: HIELJZNVJPPPNU-UHFFFAOYSA-L
norman_susdat_id: NS00086768
smiles: [Mg+2].Nc1cccc2c(cccc12)S(=O)(=O)[O-].Nc3cccc4c(cccc34)S(=O)(=O)[O-]
inchi:
InChI=1/2C10H9NO3S.Mg/c2*11-9-5-1-4-8-7(9)3-2-6-10(8)15(12,13)14;/h2*1-6H,11H2,(H,12,13,14);/q;;+2/p-2


name: Sodium dimethyl 3,3'-[iminobis(sulphonyl)]bisbenzoate
cas: 57216-65-6
dtxsid: DTXSID00972672
formula: C16H15NO8S2
inchikey: GTAQYXJTEZIISC-UHFFFAOYSA-N
norman_susdat_id: NS00053726
pubchem_cid: 90283
smiles: [Na+].O=C(OC)C1=CC=CC(=C1)S(=O)(=O)NS(=O)(=O)C=2C=CC=C(C2)C(=O)OC
inchi:
InChI=1/C16H15NO8S2.Na/c1-24-15(18)11-5-3-7-13(9-11)26(20,21)17-27(22,23)14-8-4-6-12(10-14)16(19)25-2;/h3-10,17H,1-2H3;/q;+1


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Nonadecafluoroundec-1-ene
cas: 57216-75-8
dtxsid: DTXSID40895311
formula: C11H3F19
inchikey: SWWADTZXHRGDPA-UHFFFAOYSA-N
norman_susdat_id: NS00110355
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=C
inchi:
InChI=1S/C11H3F19/c1-2-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h2H,1H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Tricosafluoro-13-iodotridecane
cas: 57216-88-3
dtxsid: DTXSID80895299
formula: C13H4F23I
inchikey: ROBJGVIBSNEVQR-UHFFFAOYSA-N
norman_susdat_id: NS00111722
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)CCI
inchi:
InChI=1S/C13H4F23I/c14-3(15,1-2-37)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1-2H2


name: 10-(3-(4-(2-Hydroxyethyl)piperidino)propyl)-7-methoxy-N,N-dimethyl-10H-phenothiazine-2-sulphonamide
cas: 57218-10-7
chemspiderid: 83694
dtxsid: DTXSID30205844
formula: C25H35N3O4S2
inchikey: NRBDOJCWXAOZLN-UHFFFAOYSA-N
norman_susdat_id: NS00033666
pubchem_cid: 92713
smiles: COc1cc2c(cc1)N(CCCN1CCC(CCO)CC1)c1cc(ccc1S2)S(=O)(=O)N(C)C
inchi:
InChI=1S/C25H35N3O4S2/c1-26(2)34(30,31)21-6-8-24-23(18-21)28(22-7-5-20(32-3)17-25(22)33-24)13-4-12-27-14-9-19(10-15-27)11-16-29/h5-8,17-19,29H,4,9-16H2,1-3H3


name: (S)-1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydro-2-methylisoquinoline-6,7-diol
cas: 57231-31-9
formula: C17H19NO4
inchikey: VHRSWCTVFBWHKE-ZDUSSCGKSA-N
norman_susdat_id: NS00053294
pubchem_cid: 688014
smiles: OC1=CC=C(C=C1O)CC2C3=CC(O)=C(O)C=C3CCN2C
inchi:
InChI=1/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3


name: N-((4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenyl)methyl)-2-chloroacetamide
cas: 57232-98-1
chemspiderid: 84484
dtxsid: DTXSID00205851
formula: C23H17Cl1N2O5
inchikey: XYJMEPSKBLBCEX-UHFFFAOYSA-N
norman_susdat_id: NS00033669
pubchem_cid: 93589
smiles: Nc1c(Oc2ccc(CNC(=O)CCl)cc2)cc(O)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C23H17ClN2O5/c24-10-18(28)26-11-12-5-7-13(8-6-12)31-17-9-16(27)19-20(21(17)25)23(30)15-4-2-1-3-14(15)22(19)29/h1-9,27H,10-11,25H2,(H,26,28)


cas: 57233-79-1
chemspiderid: 84487
dtxsid: DTXSID60205852
formula: C32H42Cl4N4O3
inchikey: NBLZYZCFWBIZBH-UHFFFAOYSA-N
norman_susdat_id: NS00033670
pubchem_cid: 93592
smiles: CCCCCCCCCCCCCCCCOC(=O)Nc1ccc(Cl)c(NC2=NN(C(=O)C2)c2c(Cl)cc(Cl)cc2Cl)c1
name:
Hexadecyl (4-chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)carbamate

inchi:
InChI=1S/C32H42Cl4N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-43-32(42)37-24-16-17-25(34)28(21-24)38-29-22-30(41)40(39-29)31-26(35)19-23(33)20-27(31)36/h16-17,19-21H,2-15,18,22H2,1H3,(H,37,42)(H,38,39)


name: Disodium dihydrogen (3-amino-1-hydroxypropylidene)bisphosphonate
cas: 57248-88-1
formula: C3H11NO7P2.2Na
inchikey: CEYUIFJWVHOCPP-UHFFFAOYSA-J
norman_susdat_id: NS00086372
smiles: [Na+].[Na+].NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]
inchi:
InChI=1/C3H11NO7P2.2Na/c4-2-1-3(5,12(6,7)8)13(9,10)11;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;/q;2*+1/p-4


name: a-phenyl-a-[3-(1-pyrrolidinyl)prop-1-ynyl]toluene-a-ol phosphate
cas: 57248-89-2
formula: C20H21NO.xH3O4P
inchikey: KJRDQHIYWCTNTN-UHFFFAOYSA-N
norman_susdat_id: NS00086373
smiles: OC(C#CCN1CCCC1)(c2ccccc2)c3ccccc3.OP(=O)(O)O
inchi:
InChI=1/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)


name: Potassium hydrogen 4-amino-5-hydroxynaphthalene-1,3-disulphonate
cas: 57248-90-5
formula: C10H9NO7S2.K
inchikey: LVXBUYIUMTZNLP-UHFFFAOYSA-L
norman_susdat_id: NS00087399
smiles: [K+].Nc1c(cc(c2cccc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.K/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2


name: Ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate
cas: 57258-90-9
dtxsid: DTXSID50972748
formula: C21H15NO5
inchikey: DYCJYXMVABIVOY-UHFFFAOYSA-N
norman_susdat_id: NS00053821
pubchem_cid: 93600
smiles: O=C(OCC)C1=CC=C2C(=O)C(C(=O)C2=C1)C3=NC=4C=CC=CC4C=C3O
inchi:
InChI=1/C21H15NO5/c1-2-27-21(26)12-7-8-13-14(9-12)20(25)17(19(13)24)18-16(23)10-11-5-3-4-6-15(11)22-18/h3-10,17,23H,2H2,1H3


name: O-Formylcefamandole
cas: 57268-80-1
chebiid: CHEBI:53654
chemspiderid: 390129
dtxsid: DTXSID00205891
formula: C19H18N6O6S2
inchikey: RRJHESVQVSRQEX-SUYBPPKGSA-N
norman_susdat_id: NS00033674
pubchem_cid: 5284527
smiles: Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(OC=O)c1ccccc1)C2=O)C(=O)O
inchi:
InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1


name: 2-(Benzothiazol-2-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
cas: 5728-89-2
chemspiderid: 1496060
dtxsid: DTXSID10365718
formula: C21H14N2O1S3
inchikey: WMVVRGRBAZJJRT-UHFFFAOYSA-N
norman_susdat_id: NS00016819
pubchem_cid: 1959655
smiles: C1=CC=C2C(=C1)N=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
inchi:
InChI=1S/C21H14N2OS3/c24-20(13-25-21-22-14-7-1-4-10-17(14)27-21)23-15-8-2-5-11-18(15)26-19-12-6-3-9-16(19)23/h1-12H,13H2


name: L-lysine monosalicylate
cas: 57282-48-1
formula: C7H6O3.C6H14N2O2
inchikey: KZBKRARRXDZOII-ZSCHJXSPSA-N
norman_susdat_id: NS00085993
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)c1ccccc1O
inchi:
InChI=1/C7H6O3.C6H14N2O2/c8-6-4-2-1-3-5(6)7(9)10;7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10);5H,1-4,7-8H2,(H,9,10)


name: 5-O-Phosphonopentonic acid
cas: 57287-61-3
dtxsid: DTXSID70972801
formula: C5H11O9P
inchikey: HNECGPFIYSOYHF-JJYYJPOSSA-N
norman_susdat_id: NS00069126
pubchem_cid: 191445
smiles: O=C(O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
inchi:
InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1


name: Loniceroside C
cas: 572880-29-9
chemspiderid: 101227977
formula: C53H86O22
inchikey: UIMSMPXWHBZAKD-QFOPEFBYSA-N
norman_susdat_id: NS00093736
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)[C@@]34CC[C@@]5(C(=CC[C@H]6[C@]5(CC[C@@H]7[C@@]6(CC[C@@H]([C@@]7(C)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)CO[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)O)O


name: Ammonium 1,4-dihydro-3-methyl-4-oxo-1-naphthylideneaminooxyacetate
cas: 573-01-3
formula: C13H11NO4
inchikey: VFUBCAMCLXGWOG-UHFFFAOYSA-N
norman_susdat_id: NS00042862
pubchem_cid: 68447
smiles: O=C([O-])CON=C1C=C(C(=O)C=2C=CC=CC12)C.[NH4+]
inchi:
InChI=1/C13H11NO4.H3N/c1-8-6-11(14-18-7-12(15)16)9-4-2-3-5-10(9)13(8)17;/h2-6H,7H2,1H3,(H,15,16);1H3


cas: 573-09-1
formula: C12H17N4OS.C10H7O6S2
inchikey: STJLLECREIYBCK-UHFFFAOYSA-L
norman_susdat_id: NS00080054
smiles: Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-]
name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate

inchi:
InChI=1/C12H17N4OS.C10H8O6S2/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1-6H,(H,11,12,13)(H,14,15,16)/q+1;/p-2


name: 1H-Imidazole, 4,5-dihydro-2,4,5-triphenyl-, (4R,5R)-
cas: 573-33-1
chemspiderid: 91959
dtxsid: DTXSID30448193
formula: C21H18N2
inchikey: UCCFUHZMGXEALP-UHFFFAOYSA-N
norman_susdat_id: NS00017135
pubchem_cid: 101777
smiles: C1=CC=C(C=C1)C2C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
inchi:
InChI=1S/C21H18N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15,19-20H,(H,22,23)


name: C.I. Direct Red 28
cas: 573-58-0
chemspiderid: 10838
dtxsid: DTXSID4022816
formula: C32H24N6O6S2
inchikey: IQFVPQOLBLOTPF-HKXUKFGYSA-L
norman_susdat_id: NS00020843
pubchem_cid: NA
inchi:
InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36?

smiles:
[Na+].[Na+].Nc1c(cc(c2ccccc12)S(=O)(=O)[O-])N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c2ccccc2c1N)S(=O)(=O)[O-]


name: 2,2'-azoxybisbenzoic acid
cas: 573-79-5
formula: C14H10N2O5
inchikey: MBUVKGDWMUDLBP-UHFFFAOYSA-N
norman_susdat_id: NS00042429
pubchem_cid: 68453
smiles: O=C(O)C=1C=CC=CC1N=N(=O)C=2C=CC=CC2C(=O)O
inchi:
InChI=1/C14H10N2O5/c17-13(18)9-5-1-3-7-11(9)15-16(21)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,17,18)(H,19,20)


name: C.I. Acid Orange 7 parent
cas: 573-89-7
chemspiderid: 10468564
dtxsid: DTXSID7047986
formula: C16H12N2O4S1
inchikey: RDUJRVXKAIVTDH-UHFFFAOYSA-N
norman_susdat_id: NS00010916
pubchem_cid: NA
smiles: OC1=CC=C2C=CC=CC2=C1N=NC1=CC=C(C=C1)S(O)(=O)=O
inchi:
InChI=1S/C16H12N2O4S/c19-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)23(20,21)22/h1-10,19H,(H,20,21,22)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylmethyl)sulfonyl]phenyl]azo]-N-phenyl-
cas: 57301-22-1
chemspiderid: 7842616
dtxsid: DTXSID5069172
formula: C31H25N3O5S1
inchikey: TYKQBZSGHJRQAL-UHFFFAOYSA-N
norman_susdat_id: NS00021222
pubchem_cid: NA
smiles: COc1c(cc(cc1)S(=O)(=O)Cc1ccccc1)N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1
inchi:
InChI=1S/C31H25N3O5S/c1-39-28-17-16-24(40(37,38)20-21-10-4-2-5-11-21)19-27(28)33-34-29-25-15-9-8-12-22(25)18-26(30(29)35)31(36)32-23-13-6-3-7-14-23/h2-19,35H,20H2,1H3,(H,32,36)/b34-33+


name: 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[[(4-methylphenyl)azo]methylene]-
cas: 57303-71-6
chemspiderid: 2298891
dtxsid: DTXSID5069174
formula: C19H21N3
inchikey: QVORMTIMKWYLIM-UHFFFAOYSA-N
norman_susdat_id: NS00033680
pubchem_cid: 93629
smiles: CN1c2ccccc2C(C)(C)/C/1=CN=Nc1ccc(C)cc1
inchi:
InChI=1S/C19H21N3/c1-14-9-11-15(12-10-14)21-20-13-18-19(2,3)16-7-5-6-8-17(16)22(18)4/h5-13H,1-4H3/b18-13+,21-20+


name: 1,11-Bis(8-quinolinyloxy)-3,6,9-trioxaundecane
cas: 57310-75-5
chemspiderid: 84240
dtxsid: DTXSID00205932
formula: C26H28N2O5
inchikey: GHYUCQLUMXYVRT-UHFFFAOYSA-N
norman_susdat_id: NS00033684
pubchem_cid: 93310
smiles: C(COCCOc1cccc2cccnc12)OCCOCCOc1cccc2cccnc12
inchi:
InChI=1S/C26H28N2O5/c1-5-21-7-3-11-27-25(21)23(9-1)32-19-17-30-15-13-29-14-16-31-18-20-33-24-10-2-6-22-8-4-12-28-26(22)24/h1-12H,13-20H2


cas: 57320-90-8
chemspiderid: 2298892
dtxsid: DTXSID90205941
formula: C16H16N2O5S1
inchikey: FMCDRFFHZRDWTJ-UKRRQHHQSA-N
norman_susdat_id: NS00033688
pubchem_cid: 3034444
smiles: CC(=O)N(Oc1ccccc1)[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C
name:
(6R-trans)-7-(Acetylphenoxyamino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C16H16N2O5S/c1-9-8-24-15-13(14(20)17(15)12(9)16(21)22)18(10(2)19)23-11-6-4-3-5-7-11/h3-7,13,15H,8H2,1-2H3,(H,21,22)/t13-,15-/m1/s1


name: 44-(Nonylphenoxy)-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontanol
cas: 57321-10-5
chemspiderid: 4955833
dtxsid: DTXSID50205942
formula: C45H84O16
inchikey: AIVWIYIHAXBGHP-UHFFFAOYSA-N
norman_susdat_id: NS00033689
pubchem_cid: 6453460
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C45H84O16/c1-2-3-4-5-6-7-8-11-44-12-9-10-13-45(44)61-43-42-60-41-40-59-39-38-58-37-36-57-35-34-56-33-32-55-31-30-54-29-28-53-27-26-52-25-24-51-23-22-50-21-20-49-19-18-48-17-16-47-15-14-46/h9-10,12-13,46H,2-8,11,14-43H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-9-iodotricosane
cas: 57325-43-6
dtxsid: DTXSID80895370
formula: C23H32F15I
inchikey: QGHZNZSVANDDGP-UHFFFAOYSA-N
norman_susdat_id: NS00111729
smiles: CCCCCCCCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C23H32F15I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(39)15-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h16H,2-15H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluorotricosane
cas: 57325-44-7
dtxsid: DTXSID50895322
formula: C23H33F15
inchikey: UNLQLBOSUFWFJC-UHFFFAOYSA-N
norman_susdat_id: NS00110699
smiles: CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C23H33F15/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h2-16H2,1H3


name: 6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
cas: 57331-14-3
dtxsid: DTXSID50972844
formula: C21H27F2O8P
inchikey: PTFJOVUOXOHPIW-UHFFFAOYSA-N
norman_susdat_id: NS00052703
pubchem_cid: 21489764
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C32F)C
inchi:
InChI=1/C21H27F2O8P/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(27,17(26)10-31-32(28,29)30)19(12,2)9-16(25)21(13,18)23/h3,5,7,12-13,15-16,25,27H,4,6,8-10H2,1-2H3,(H2,28,29,30)


name: Tacalcitol
cas: 57333-96-7
chebiid: CHEBI:32176
dtxsid: DTXSID90905111
formula: C27H44O3
inchikey: BJYLYJCXYAMOFT-RSFVBTMBSA-N
norman_susdat_id: NS00069889
pubchem_cid: 5283734
smiles: C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O
inchi:
InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1


name: 4,6-Bis[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]-1,3,5-triazin-2-amine
cas: 57338-64-4
dtxsid: DTXSID00896187
formula: C17H6F26N4O2
inchikey: XZNQZBAZHBPEEQ-UHFFFAOYSA-N
norman_susdat_id: NS00109034
inchi:
InChI=1S/C17H6F26N4O2/c18-6(19,8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40)1-48-4-45-3(44)46-5(47-4)49-2-7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43/h1-2H2,(H2,44,45,46,47)

smiles:
Nc1nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1


name: 6-[(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxy]-1,3,5-triazine-2,4-diamine
cas: 57338-65-5
dtxsid: DTXSID20896129
formula: C10H6F13N5O
inchikey: YPGCCGOAPJDVQF-UHFFFAOYSA-N
norman_susdat_id: NS00109735
smiles: Nc1nc(N)nc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1
inchi:
InChI=1S/C10H6F13N5O/c11-5(12,1-29-4-27-2(24)26-3(25)28-4)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h1H2,(H4,24,25,26,27,28)


name: Epofenonane
cas: 57342-02-6
chemspiderid: 38551
dtxsid: DTXSID7041912
formula: C20H32O2
inchikey: YHDXOFFTMOZZPE-UHFFFAOYSA-N
norman_susdat_id: NS00001041
pubchem_cid: 42272
smiles: CCC(CCOc1ccc(CC)cc1)CCC1OC1(C)CC
inchi:
InChI=1S/C20H32O2/c1-5-16-8-11-18(12-9-16)21-15-14-17(6-2)10-13-19-20(4,7-3)22-19/h8-9,11-12,17,19H,5-7,10,13-15H2,1-4H3


name: 5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-
cas: 57345-19-4
chemspiderid: 84526
dtxsid: DTXSID3041538
formula: C18H30O2
inchikey: PHNCACYNYORRNS-UHFFFAOYSA-N
norman_susdat_id: NS00012349
pubchem_cid: 93639
smiles: CC1(C)CCCC2(C)C1CCC34COC(C)(CCC23)O4
inchi:
InChI=1S/C18H30O2/c1-15(2)8-5-9-16(3)13(15)7-11-18-12-19-17(4,20-18)10-6-14(16)18/h13-14H,5-12H2,1-4H3


cas: 57359-00-9
formula: C20H14Cl2N8O10S3.3Na
inchikey: XLZHGJIMRMGXRI-UHFFFAOYSA-K
norman_susdat_id: NS00087015
smiles: NC(=O)Nc1cc(Nc2ncncn2)ccc1N=Nc3cc4c(cc(cc4cc3S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]
name:
Trisodium 7-[2-[(aminocarbonyl)amino]-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C20H16N8O10S3.3Na/c21-19(29)26-15-5-11(25-20-23-8-22-9-24-20)1-2-14(15)27-28-16-7-13-10(4-18(16)41(36,37)38)3-12(39(30,31)32)6-17(13)40(33,34)35;;;/h1-9H,(H3,21,26,29)(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;/q;3*+1/p-3/rC20H13N8Na3O10S3/c21-19(32)26-15-5-11(25-20-23-8-22-9-24-20)1-2-14(15)27-28-16-7-13-10(4-18(16)44(37,38)41-31)3-12(42(33,34)39-29)6-17(13)43(35,36)40-30/h1-9H,(H3,21,26,32)(H,22,23,24,25)


name: 1-[(2,3-dihydro-5-benzofuranyl)methyl]-4-thiazol-2-ylpiperazinium chloride
cas: 57359-17-8
formula: C16H19N3OS.ClH
inchikey: ZPWJKCKRQHIQNM-UHFFFAOYSA-N
norman_susdat_id: NS00086016
smiles: [Cl-].C([NH+]1CCN(CC1)c2nccs2)c3ccc4OCCc4c3
inchi:
InChI=1/C16H19N3OS.ClH/c1-2-15-14(3-9-20-15)11-13(1)12-18-5-7-19(8-6-18)16-17-4-10-21-16;/h1-2,4,10-11H,3,5-9,12H2;1H


name: Sodium hydrogen 2,2'-methylenebis[3,4,6-trichlorophenolate]
cas: 5736-15-2
formula: C13H6Cl6O2.Na
inchikey: JNAQOQQXXBMQKT-UHFFFAOYSA-L
norman_susdat_id: NS00082619
smiles: [Na+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl
inchi:
InChI=1/C13H6Cl6O2.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-2


name: N-[4-[4-(tert-butyl)phenoxy]phenyl]-1-hydroxy-4-(phenylazo)naphthalene-2-carboxamide
cas: 57360-63-1
dtxsid: DTXSID5069178
formula: C33H29N3O3
inchikey: MEVAAZHTGVFWTB-UHFFFAOYSA-N
norman_susdat_id: NS00054016
pubchem_cid: 93647
smiles: O=C(NC1=CC=C(OC2=CC=C(C=C2)C(C)(C)C)C=C1)C=3C=C(N=NC=4C=CC=CC4)C=5C=CC=CC5C3O
inchi:
InChI=1/C33H29N3O3/c1-33(2,3)22-13-17-25(18-14-22)39-26-19-15-23(16-20-26)34-32(38)29-21-30(36-35-24-9-5-4-6-10-24)27-11-7-8-12-28(27)31(29)37/h4-21,37H,1-3H3,(H,34,38)


name: 2,2'-(Ethane-1,2-diyldiimino)bis[(2-hydroxy-5-sulfophenyl)acetic acid]
cas: 57368-07-7
chemspiderid: 11409460
formula: C18H20N2O12S2
inchikey: GOPWHIPESJZSFI-UHFFFAOYSA-N
norman_susdat_id: NS00006902
pubchem_cid: 21125255
smiles: OC(=O)C(NCCNC(C(O)=O)c1cc(ccc1O)S(O)(=O)=O)c1cc(ccc1O)S(O)(=O)=O
inchi:
InChI=1S/C18H20N2O12S2/c21-13-3-1-9(33(27,28)29)7-11(13)15(17(23)24)19-5-6-20-16(18(25)26)12-8-10(34(30,31)32)2-4-14(12)22/h1-4,7-8,15-16,19-22H,5-6H2,(H,23,24)(H,25,26)(H,27,28,29)(H,30,31,32)


name: 3-(isopropoxycarbonylamino)phenyl N-ethylcarbanilate
cas: 57375-63-0
chebiid: CHEBI:82187
chemspiderid: 85345
dtxsid: DTXSID80205970
formula: C19H22N2O4
inchikey: PWEOEHNGYFXZLI-UHFFFAOYSA-N
norman_susdat_id: NS00015474
pubchem_cid: 94578
smiles: CCN(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)NC(=O)OC(C)C
inchi:
InChI=1S/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)


name: Bis(2,4,6-tribromophenyl) terephthalate
cas: 57376-95-1
chemspiderid: 84536
dtxsid: DTXSID40205971
formula: C20H8Br6O4
inchikey: JYXKGBIRZSOSAP-UHFFFAOYSA-N
norman_susdat_id: NS00033706
pubchem_cid: 93651
smiles: Brc1cc(Br)c(OC(=O)c2ccc(cc2)C(=O)Oc2c(Br)cc(Br)cc2Br)c(Br)c1
inchi:
InChI=1S/C20H8Br6O4/c21-11-5-13(23)17(14(24)6-11)29-19(27)9-1-2-10(4-3-9)20(28)30-18-15(25)7-12(22)8-16(18)26/h1-8H


name: (2-ethylhexanoato-O)bis(propan-2-olato)aluminium
cas: 57377-06-7
formula: C14H29AlO4
inchikey: SYBBENKWBWIAHN-UHFFFAOYSA-M
norman_susdat_id: NS00086053
smiles: CCCCC(CC)C(=O)O[Al](OC(C)C)OC(C)C
inchi:
InChI=1/C8H16O2.2C3H7O.Al/c1-3-5-6-7(4-2)8(9)10;2*1-3(2)4;/h7H,3-6H2,1-2H3,(H,9,10);2*3H,1-2H3;/q;2*-1;+3/p-1/rC14H29AlO4/c1-7-9-10-13(8-2)14(16)19-15(17-11(3)4)18-12(5)6/h11-13H,7-10H2,1-6H3


name: 9-Oxoprosta-10,12,14-trien-1-oic acid
cas: 573951-20-9
chemspiderid: 17220786
dtxsid: DTXSID50693981
formula: C20H30O3
inchikey: LDOCIRJMPUHXRM-YUJGFSRTSA-N
norman_susdat_id: NS00017059
pubchem_cid: 16061103
smiles: CCCCCC=CC=C1C=CC(=O)C1CCCCCCC(=O)O
inchi:
InChI=1S/C20H30O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)23/h6,9,12,15-16,18H,2-5,7-8,10-11,13-14H2,1H3,(H,22,23)/b9-6+,17-12-/t18-/m1/s1


cas: 573981-31-4
formula: C28H38O6
inchikey: GSTZHANFXAKPSE-MXTREEOPSA-N
norman_susdat_id: NS00072077
pubchem_cid: 10174045
smiles: CCCCCCC(C)(C)c1cc(O)c([C@H]2CC(=O)[C@H]3C[C@@H]2C3(C)C)c(OC(=O)/C=C/C(=O)O)c1
name:
4-(2-{6,6-dimethyl-4-oxobicyclo[3.1.1]heptan-2-yl}-3-hydroxy-5-(2-methyloctan-2-yl)phenoxy)-4-oxobut-2-enoic acid

inchi:
InChI=1S/C28H38O6/c1-6-7-8-9-12-27(2,3)17-13-22(30)26(23(14-17)34-25(33)11-10-24(31)32)18-15-21(29)20-16-19(18)28(20,4)5/h10-11,13-14,18-20,30H,6-9,12,15-16H2,1-5H3,(H,31,32)/b11-10+/t18-,19-,20+/m0/s1


name: Thioinosine
cas: 574-25-4
chemspiderid: 588909
dtxsid: DTXSID5046019
formula: C10H12N4O4S1
inchikey: NKGPJODWTZCHGF-KQYNXXCUSA-N
norman_susdat_id: NS00033722
pubchem_cid: 676166
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=S
inchi:
InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1


cas: 574-64-1
formula: C32H24N6O15S5
inchikey: RBDJQFKUZPMOFH-UHFFFAOYSA-I
norman_susdat_id: NS00042881
pubchem_cid: 73031
name:
Pentasodium 4,4'-[(3-sulphonato[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-aminonaphthalene-2,7-disulphonate]

inchi:
InChI=1/C32H24N6O15S5.5Na/c33-29-27(57(48,49)50)14-18-11-21(54(39,40)41)6-8-23(18)31(29)37-35-20-4-1-16(2-5-20)17-3-10-25(26(13-17)56(45,46)47)36-38-32-24-9-7-22(55(42,43)44)12-19(24)15-28(30(32)34)58(51,52)53;;;;;/h1-15H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N)C2N=NC3=CC=C(C=C3)C4=CC=C(N=NC=5C(N)=C(C=C6C=C(C=CC65)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Benzenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]-
cas: 574-69-6
chemspiderid: 4583116
dtxsid: DTXSID5060356
formula: C16H12N2O4S1
inchikey: PURJGKXXWJKIQR-UHFFFAOYSA-N
norman_susdat_id: NS00033728
pubchem_cid: NA
smiles: Oc1ccc(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccccc12
inchi:
InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17-


name: Papaveroline
cas: 574-77-6
chebiid: CHEBI:135171
dtxsid: DTXSID50972889
formula: C16H13NO4
inchikey: MXQKCNCLQIHHJA-UHFFFAOYSA-N
norman_susdat_id: NS00042431
pubchem_cid: 5459346
smiles: OC1=CC=C(C=C1O)CC2=NC=CC=3C=C(O)C(O)=CC32
inchi:
InChI=1/C16H13NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-4,6-8,18-21H,5H2


name: Fexaramine
cas: 574013-66-4
chebiid: CHEBI:80003
dtxsid: DTXSID80870369
formula: C32H36N2O3
inchikey: VLQTUNDJHLEFEQ-KGENOOAVSA-N
norman_susdat_id: NS00071006
pubchem_cid: 5326713
smiles: COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1
inchi:
InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3/b21-14+


name: 1,3-Propanediamine, N-methyl-N'-(2-nitrophenyl)-N-[3-[(2-nitrophenyl)amino]propyl]-
cas: 57402-83-2
chemspiderid: 84544
dtxsid: DTXSID9069180
formula: C19H25N5O4
inchikey: QINTZFYFQXRHFS-UHFFFAOYSA-N
norman_susdat_id: NS00033712
pubchem_cid: 93660
smiles: CN(CCCNc1c(cccc1)[N+](=O)[O-])CCCNc1c(cccc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H25N5O4/c1-22(14-6-12-20-16-8-2-4-10-18(16)23(25)26)15-7-13-21-17-9-3-5-11-19(17)24(27)28/h2-5,8-11,20-21H,6-7,12-15H2,1H3


name: a-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexa-1,4-diene-1-acetic acid
cas: 57410-95-4
formula: C13H19NO4
inchikey: VAJQVCXAZPZIGP-UHFFFAOYSA-N
norman_susdat_id: NS00054061
pubchem_cid: 93663
smiles: O=C(OC(C)(C)C)NC(C(=O)O)C1=CCC=CC1
inchi:
InChI=1/C13H19NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-5,8,10H,6-7H2,1-3H3,(H,14,17)(H,15,16)


name: Hexadecanamide, N,N-bis(1-methylethyl)-
cas: 57413-34-0
chemspiderid: 84547
dtxsid: DTXSID4069181
formula: C22H45N1O1
inchikey: SPFIEWHOPDAJLI-UHFFFAOYSA-N
norman_susdat_id: NS00033716
pubchem_cid: 93664
smiles: CCCCCCCCCCCCCCCC(=O)N(C(C)C)C(C)C
inchi:
InChI=1S/C22H45NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23(20(2)3)21(4)5/h20-21H,6-19H2,1-5H3


name: Ethylphenidate
cas: 57413-43-1
chemspiderid: 2338571
formula: C15H21N1O2
inchikey: AIVSIRYZIBXTMM-UHFFFAOYSA-N
norman_susdat_id: NS00003758
pubchem_cid: 3080846
smiles: CCOC(=O)C(C1CCCCN1)c1ccccc1
inchi:
InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3


cas: 57414-26-3
chemspiderid: 84550
dtxsid: DTXSID9069182
formula: C21H21Br1N6O8
inchikey: ZBFUAGPRXUDDAB-UHFFFAOYSA-N
norman_susdat_id: NS00033718
pubchem_cid: 93667
smiles: COC(=O)CN(CC=C)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
Glycine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-2-propenyl-, methyl ester

inchi:
InChI=1S/C21H21BrN6O8/c1-5-6-26(11-20(30)36-4)17-9-15(23-12(2)29)16(10-19(17)35-3)24-25-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h5,7-10H,1,6,11H2,2-4H3,(H,23,29)/b25-24+


name: Decanediamide, N,N'-bis(3,4-dicyanophenyl)-
cas: 57414-42-3
chemspiderid: 84551
dtxsid: DTXSID4069183
formula: C26H24N6O2
inchikey: NSKQFRRGJXVKEE-UHFFFAOYSA-N
norman_susdat_id: NS00033719
pubchem_cid: 93668
smiles: O=C(CCCCCCCCC(=O)Nc1ccc(C#N)c(c1)C#N)Nc1cc(C#N)c(cc1)C#N
inchi:
InChI=1S/C26H24N6O2/c27-15-19-9-11-23(13-21(19)17-29)31-25(33)7-5-3-1-2-4-6-8-26(34)32-24-12-10-20(16-28)22(14-24)18-30/h9-14H,1-8H2,(H,31,33)(H,32,34)


name: N-(2-pyridylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
cas: 57415-36-8
dtxsid: DTXSID20206002
formula: C17H14F6N2O3
inchikey: YCKWLOJVFNPJAW-UHFFFAOYSA-N
norman_susdat_id: NS00052766
pubchem_cid: 93669
smiles: O=C(NCC1=NC=CC=C1)C2=CC(OCC(F)(F)F)=CC=C2OCC(F)(F)F
inchi:
InChI=1/C17H14F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h1-7H,8-10H2,(H,25,26)


name: Bis(2-hydroxyethyl)ammonium 2,4-dichlorophenoxyacetate
cas: 5742-19-8
formula: C8H6Cl2O3.C4H11NO2
inchikey: FDMDZIBZKGXZPT-UHFFFAOYSA-N
norman_susdat_id: NS00082973
smiles: OCC[NH2+]CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/C8H6Cl2O3.C4H11NO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;6-3-1-5-2-4-7/h1-3H,4H2,(H,11,12);5-7H,1-4H2


name: Physalin F
cas: 57423-71-9
chebiid: CHEBI:69019
chemspiderid: 49864133
formula: C28H30O10
inchikey: VSLWNSSUMFSGFF-DKOLRWHASA-N
norman_susdat_id: NS00093774
pubchem_cid: 25050251
smiles:
C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@@H]8[C@]9(O8)CC=CC(=O)[C@@]9([C@H]7CC[C@]6(C(=O)O4)O)C)OC[C@H]2C(=O)O3)C


name: Caffeine benzoate
cas: 5743-17-9
formula: C8H10N4O2.C7H6O2
inchikey: VXXKVQICUHMECR-UHFFFAOYSA-N
norman_susdat_id: NS00082621
smiles: CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3
inchi:
InChI=1/C8H10N4O2.C7H6O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-7(9)6-4-2-1-3-5-6/h4H,1-3H3;1-5H,(H,8,9)


name: Caffeine salicylate
cas: 5743-22-6
formula: C8H10N4O2.C7H6O3
inchikey: SVXXBCDDJXZXOZ-UHFFFAOYSA-N
norman_susdat_id: NS00082974
smiles: CN1C(=O)N(C)c2ncn(C)c2C1=O.OC(=O)c3ccccc3O
inchi:
InChI=1/C8H10N4O2.C7H6O3/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;8-6-4-2-1-3-5(6)7(9)10/h4H,1-3H3;1-4,8H,(H,9,10)


name: D-gluconic acid, cyclic 4,5-ester with boric acid, calcium salt (2:1)
cas: 5743-34-0
formula: C6H11BO8.1/2Ca
inchikey: SSKRIDIHZLFJCG-UHFFFAOYSA-L
norman_susdat_id: NS00082633
smiles: OCC1OB(O)OC1C(O)C(O)C(=O)O[Ca]OC(=O)C(O)C(O)C2OB(O)OC2CO
inchi:
InChI=1/2C6H11BO8.Ca/c2*8-1-2-5(15-7(13)14-2)3(9)4(10)6(11)12;/h2*2-5,8-10,13H,1H2,(H,11,12);/q;;+2/p-2


name: Methylergometrine maleate
cas: 57432-61-8
formula: C20H25N3O2.C4H4O4
inchikey: NOFOWWRHEPHDCY-BZEWFBLPSA-N
norman_susdat_id: NS00086322
smiles: OC(=O)C=CC(O)=O.OC[C@H](CC)NC(=O)[C@@H]2/C=C1/c3cccc4ncc(C[C@H]1N(C)C2)c34
inchi:
InChI=1/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1-ethylpyridinium iodide
cas: 57439-27-7
dtxsid: DTXSID20972917
formula: C19H25N2
inchikey: WZHBDOPQGWBNEU-UHFFFAOYSA-M
norman_susdat_id: NS00053256
pubchem_cid: NA
smiles: [I-].C=1C=C[N+](=C(C1)C=CC2=CC=C(C=C2)N(CC)CC)CC
inchi:
InChI=1/C19H25N2.HI/c1-4-20(5-2)19-14-11-17(12-15-19)10-13-18-9-7-8-16-21(18)6-3;/h7-16H,4-6H2,1-3H3;1H/q+1;/p-1


name: Resiniferatoxin
cas: 57444-62-9
chemspiderid: 4642871
formula: C37H40O9
inchikey: DSDNAKHZNJAGHN-IHCAYWNCSA-N
norman_susdat_id: NS00018632
pubchem_cid: 104826
smiles: CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC(=C(C=C6)O)OC)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
inchi:
InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36?,37-/m1/s1


name: N-(4-chlorobenzoyl)-L-glutamic acid
cas: 57444-70-9
dtxsid: DTXSID70972922
formula: C12H12ClNO5
inchikey: ZPXCXBRPCFSCHI-VIFPVBQESA-N
norman_susdat_id: NS00054062
pubchem_cid: 2003888
smiles: O=C(O)CCC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)O
inchi:
InChI=1/C12H12ClNO5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)


name: Disodium N-[4-(methylamino)benzoyl]-L-glutamate
cas: 57444-71-0
dtxsid: DTXSID70206057
formula: C13H16N2O5
inchikey: MVMGRIDGISTMDP-XRIOVQLTSA-L
norman_susdat_id: NS00053192
pubchem_cid: 6453486
smiles: [Na+].[Na+].O=C([O-])CCC(NC(=O)C1=CC=C(C=C1)NC)C(=O)[O-]
inchi:
InChI=1/C13H16N2O5.2Na/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17;;/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20);;/q;2*+1/p-2


name: N-[2-Amino-3-nitro-5-(trifluoromethyl)phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 57450-70-1
dtxsid: DTXSID70896250
formula: C11H5F10N3O3
inchikey: GNCHBMUKQAERQO-UHFFFAOYSA-N
norman_susdat_id: NS00111469
smiles: Nc1c(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(cc1[N+]([O-])=O)C(F)(F)F
inchi:
InChI=1S/C11H5F10N3O3/c12-8(13,10(17,18)11(19,20)21)7(25)23-4-1-3(9(14,15)16)2-5(6(4)22)24(26)27/h1-2H,22H2,(H,23,25)


name: Talinolol
cas: 57460-41-0
dtxsid: DTXSID50221566
formula: C20H33N3O3
inchikey: MXFWWQICDIZSOA-KRWDZBQOSA-N
norman_susdat_id: NS00098853
smiles: CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1
inchi:
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m0/s1


name: N,N'-[oxybis(methylene)]bis[N-phenylaniline]
cas: 57468-27-6
dtxsid: DTXSID00972995
formula: C26H24N2O
inchikey: APRDGZRISPKKRL-UHFFFAOYSA-N
norman_susdat_id: NS00053257
pubchem_cid: 93676
smiles: O(CN(C=1C=CC=CC1)C=2C=CC=CC2)CN(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H24N2O/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-29-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2


name: [[2-[p-(oxiranylmethoxy)benzyl]phenoxy]methyl]oxirane
cas: 57469-07-5
dtxsid: DTXSID60972996
formula: C19H20O4
inchikey: KWBKELCPJJUMNV-UHFFFAOYSA-N
norman_susdat_id: NS00053258
pubchem_cid: 93677
smiles: O(C1=CC=C(C=C1)CC=2C=CC=CC2OCC3OC3)CC4OC4
inchi:
InChI=1/C19H20O4/c1-2-4-19(23-13-18-12-22-18)15(3-1)9-14-5-7-16(8-6-14)20-10-17-11-21-17/h1-8,17-18H,9-13H2


name: L-lysine mono[4-isobutyl-a-methylbenzeneacetate]
cas: 57469-77-9
formula: C13H18O2.C6H14N2O2
inchikey: IHHXIUAEPKVVII-ZSCHJXSPSA-N
norman_susdat_id: NS00086347
smiles: CC(C)Cc1ccc(cc1)C(C)C(=O)O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C13H18O2.C6H14N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;7-4-2-1-3-5(8)6(9)10/h4-7,9-10H,8H2,1-3H3,(H,14,15);5H,1-4,7-8H2,(H,9,10)


name: 3-[3-acetyl-4-[3-[(tert-butyl)amino]-2-hydroxypropoxy]phenyl]-1,1-diethyluronium chloride
cas: 57470-78-7
chebiid: CHEBI:31385
formula: C20H33N3O4.ClH
inchikey: VKJHTUVLJYWAEY-UHFFFAOYSA-N
norman_susdat_id: NS00087038
smiles: [Cl-].CC[N+](=C(O)Nc1ccc(OCC(O)CNC(C)(C)C)c(c1)C(=O)C)CC
inchi:
InChI=1/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H


name: Nifuroquine
cas: 57474-29-0
chemspiderid: 64955
dtxsid: DTXSID20206087
formula: C14H8N2O6
inchikey: HOWCLZBHAPFFAN-UHFFFAOYSA-N
norman_susdat_id: NS00033729
pubchem_cid: 71946
smiles: OC(=O)c1[n+]([O-])c2ccccc2c(c1)c1ccc(o1)[N+](=O)[O-]
inchi:
InChI=1S/C14H8N2O6/c17-14(18)11-7-9(12-5-6-13(22-12)16(20)21)8-3-1-2-4-10(8)15(11)19/h1-7H,(H,17,18)


name: Perfluoroheptadecanoic acid
cas: 57475-95-3
chemspiderid: 3249
formula: C17H1F33O2
inchikey: ZAWWKRYRIHWWDN-UHFFFAOYSA-N
norman_susdat_id: NS00011262
pubchem_cid: 12731199
inchi:
InChI=1S/C17HF33O2/c18-2(19,1(51)52)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)50/h(H,51,52)

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)(C(F)(F)C(F)(F)F)F)F)F)F)F)F)F)F)F


name: N-[2-[(2-hydroxyethyl)amino]ethyl]stearamide monoacetate
cas: 57478-07-6
formula: C22H46N2O2.C2H4O2
inchikey: FMPKQAWGNSGARV-UHFFFAOYSA-N
norman_susdat_id: NS00086378
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO.CC(=O)O
inchi:
InChI=1/C22H46N2O2.C2H4O2/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;1-2(3)4/h23,25H,2-21H2,1H3,(H,24,26);1H3,(H,3,4)


name: Sulmepride
cas: 57479-88-6
formula: C14H21N3O4S
inchikey: QCKAYJICSQJJCU-UHFFFAOYSA-N
norman_susdat_id: NS00054118
pubchem_cid: 3018598
smiles: O=C(NCC1N(C)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N
inchi:
InChI=1/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)


name: Carbasalate calcium
cas: 5749-67-7
formula: C9H8O4.CH4N2O.1/2Ca
inchikey: VYMUGTALCSPLDM-UHFFFAOYSA-L
norman_susdat_id: NS00082155
smiles: [Ca+2].CC(=O)Oc1ccccc1C(=O)[O-].CC(=O)Oc2ccccc2C(=O)[O-].NC(=O)N
inchi:
InChI=1/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2


name: (3Z,13E)-octadeca-3,13-dienyl acetate
cas: 57491-35-7
formula: C20H36O2
inchikey: VVJPJXKHBZNADP-NGLZPYLXSA-N
norman_susdat_id: NS00086084
smiles: CCCC\C=C\CCCCCCCC\C=C/CCOC(=O)C
inchi:
InChI=1/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3


name: 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diyl diacrylate
cas: 57491-53-9
chemspiderid: 84567
dtxsid: DTXSID00206101
formula: C24H42O12
inchikey: JDPZLHCKBWMLDH-UHFFFAOYSA-N
norman_susdat_id: NS00033736
pubchem_cid: 93684
smiles: C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)C=C
inchi:
InChI=1S/C24H42O12/c1-3-23(25)35-21-19-33-17-15-31-13-11-29-9-7-27-5-6-28-8-10-30-12-14-32-16-18-34-20-22-36-24(26)4-2/h3-4H,1-2,5-22H2


name: Sodium 2-(3-benzoylphenyl)propionate
cas: 57495-14-4
formula: C16H14O3.Na
inchikey: OAPDLBHLMVYMCW-UHFFFAOYSA-M
norman_susdat_id: NS00086381
smiles: [Na+].CC(C([O-])=O)c1cc(ccc1)C(=O)c2ccccc2
inchi:
InChI=1/C16H14O3.Na/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;/h2-11H,1H3,(H,18,19);/q;+1/p-1


name: Sodium 6-hexanamidopenicillanate
cas: 575-47-3
formula: C14H22N2O4S.Na
inchikey: PGGDFLXSXDLMKV-UHFFFAOYSA-M
norman_susdat_id: NS00079820
smiles: CCCCCC(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O[Na]
inchi:
InChI=1/C14H22N2O4S.Na/c1-4-5-6-7-8(17)15-9-11(18)16-10(13(19)20)14(2,3)21-12(9)16;/h9-10,12H,4-7H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1


name: Guanosine 5'-diphosphoglucose
cas: 5750-57-2
chebiid: CHEBI:62254
formula: C16H25N5O16P2
inchikey: MVMSCBBUIHUTGJ-LRJDVEEWSA-N
norman_susdat_id: NS00096416
smiles: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)O)O)O)O)O)NC(=NC2=O)N
inchi:
InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5-,7-,8-,9+,10-,11-,14-,15-/m1/s1


name: 6-(dimethylamino)-3-[4-(dimethylamino)phenyl]phthalide
cas: 57515-95-4
dtxsid: DTXSID20886227
formula: C18H20N2O2
inchikey: TYIHCISAZQHKHT-UHFFFAOYSA-N
norman_susdat_id: NS00053326
pubchem_cid: 93693
smiles: O=C1OC(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C13)N(C)C
inchi:
InChI=1/C18H20N2O2/c1-19(2)13-7-5-12(6-8-13)17-15-10-9-14(20(3)4)11-16(15)18(21)22-17/h5-11,17H,1-4H3


name: Calcium N-(1-oxododecyl)-L-glutamate (1:2)
cas: 57518-82-8
formula: C17H31NO5.1/2Ca
inchikey: IPZDAVHHMOXODX-ZNBBBZQISA-J
norman_susdat_id: NS00086105
smiles: [CaH2].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C17H31NO5.Ca.2H/c2*1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;/h2*14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;/q;;+2;;/p-4/r2C17H31NO5.CaH2/c2*1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;/h2*14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);1H2/q;;+2/p-4


name: 2-[(2-aminoethyl)amino]anthraquinone, monohydrochloride
cas: 57524-50-2
dtxsid: DTXSID10206132
formula: C16H14N2O2
inchikey: JXVSZMLWYMMWAL-UHFFFAOYSA-N
norman_susdat_id: NS00066003
pubchem_cid: 20234790
smiles: Cl.O=C1C=2C=CC=CC2C(=O)C3=CC(=CC=C13)NCCN
inchi:
InChI=1/C16H14N2O2.ClH/c17-7-8-18-10-5-6-13-14(9-10)16(20)12-4-2-1-3-11(12)15(13)19;/h1-6,9,18H,7-8,17H2;1H


name: Hydrocortisone valerate
cas: 57524-89-7
chebiid: CHEBI:50865
chemspiderid: 4445635
dtxsid: DTXSID9045633
formula: C26H38O6
inchikey: FZCHYNWYXKICIO-FZNHGJLXSA-N
norman_susdat_id: NS00021223
pubchem_cid: 5282494
smiles: CCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
inchi:
InChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18-,19+,20-,23+,24-,25+,26+/m1/s1


name: Prenalterol
cas: 57526-81-5
chemspiderid: 158586
dtxsid: DTXSID8023507
formula: C12H19N1O3
inchikey: ADUKCCWBEDSMEB-UHFFFAOYNA-N
norman_susdat_id: NS00033741
pubchem_cid: NA
smiles: CC(C)NC[C@H](O)COc1ccc(O)cc1
inchi:
InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m0/s1


name: 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid
cas: 57532-26-0
dtxsid: DTXSID50886230
formula: C30H22Cl2N6O12
inchikey: QDWHZSGFTFBNGB-UHFFFAOYSA-N
norman_susdat_id: NS00053699
pubchem_cid: 21116952
inchi:
InChI=1/C30H22Cl2N6O12/c1-11(39)23(25(41)37-35-17-7-3-5-13(27(43)44)21(17)29(47)48)33-19-9-16(32)20(10-15(19)31)34-24(12(2)40)26(42)38-36-18-8-4-6-14(28(45)46)22(18)30(49)50/h3-10,23-24,33-34H,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

smiles:
O=C(O)C=1C=CC=C(N=NC(=O)C(NC2=CC(Cl)=C(C=C2Cl)NC(C(=O)N=NC3=CC=CC(C(=O)O)=C3C(=O)O)C(=O)C)C(=O)C)C1C(=O)O


cas: 57532-29-3
dtxsid: DTXSID10886231
formula: C42H26Cl4N8O8
inchikey: UOTFJEWCBHQGPW-UHFFFAOYSA-N
norman_susdat_id: NS00053252
pubchem_cid: 171595
name:
N,N'-(2,5-dichloro-1,4-phenylene)bis[2-[[2-(4-chlorophenyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]azo]-3-oxobutyramide]

inchi:
InChI=1/C42H26Cl4N8O8/c1-19(55)35(51-49-29-7-3-5-25-33(29)41(61)53(39(25)59)23-13-9-21(43)10-14-23)37(57)47-31-17-28(46)32(18-27(31)45)48-38(58)36(20(2)56)52-50-30-8-4-6-26-34(30)42(62)54(40(26)60)24-15-11-22(44)12-16-24/h3-18,35-36H,1-2H3,(H,47,57)(H,48,58)

smiles:
O=C(NC1=CC(Cl)=C(C=C1Cl)NC(=O)C(N=NC2=CC=CC=3C(=O)N(C(=O)C23)C4=CC=C(Cl)C=C4)C(=O)C)C(N=NC5=CC=CC=6C(=O)N(C(=O)C56)C7=CC=C(Cl)C=C7)C(=O)C


cas: 57532-33-9
formula: C39H40N2O8S2.C6H15N
inchikey: KMWWXXGWMXLZAP-UHFFFAOYSA-N
norman_susdat_id: NS00087383
name:
Hydrogen 5-phenyl-2-[2-[[5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium, compound with triethylamine (1:1)

inchi:
InChI=1/C39H40N2O8S2.C6H15N.H2/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;1-4-7(5-2)6-3;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);4-6H2,1-3H3;1H/q;;+1/p-1

smiles:
[H+].CCN(CC)CC.[O-]S(=O)(=O)CCCC[n+]4c5cc(ccc5oc4C=C(CC)C=C2Oc1ccc(cc1N2CCCCS([O-])(=O)=O)c3ccccc3)c6ccccc6


name: DIISOCETYL ADIPATE
cas: 57533-90-1
chemspiderid: 84587
formula: C38H74O4
inchikey: PPOZILIWLOFYOG-UHFFFAOYSA-N
norman_susdat_id: NS00013587
pubchem_cid: 93706
smiles: CCCCCCCCC(CCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCC)CCCCCCCC
inchi:
InChI=1S/C38H74O4/c1-5-9-13-17-19-23-29-35(27-21-15-11-7-3)33-41-37(39)31-25-26-32-38(40)42-34-36(28-22-16-12-8-4)30-24-20-18-14-10-6-2/h35-36H,5-34H2,1-4H3


name: 5,5-Bis(4-hydroxyphenyl)-n-nonane
cas: 57547-76-9
chemspiderid: 15475114
formula: C21H28O2
inchikey: WTZJRGZLBBRGOT-UHFFFAOYSA-N
norman_susdat_id: NS00003273
pubchem_cid: 21433016
smiles: CCCCC(CCCC)(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C21H28O2/c1-3-5-15-21(16-6-4-2,17-7-11-19(22)12-8-17)18-9-13-20(23)14-10-18/h7-14,22-23H,3-6,15-16H2,1-2H3


cas: 57561-88-3
formula: C29H27N3O10S2
inchikey: XKLYMECUXBBIJO-UHFFFAOYSA-N
norman_susdat_id: NS00053253
pubchem_cid: 70454430
smiles: O=C(OCC1=CC=C(C=C1)N(=O)=O)C(=C(O)C)N2C(=O)C(NC(=O)COC=3C=CC=CC3)C2SS(=O)(=O)C4=CC=C(C=C4)C
name:
(4-nitrophenyl)methyl [2R-[1(E),2a,3a]]-a-(1-hydroxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate

inchi:
InChI=1/C29H27N3O10S2/c1-18-8-14-23(15-9-18)44(39,40)43-28-25(30-24(34)17-41-22-6-4-3-5-7-22)27(35)31(28)26(19(2)33)29(36)42-16-20-10-12-21(13-11-20)32(37)38/h3-15,25,28,33H,16-17H2,1-2H3,(H,30,34)


cas: 57561-95-2
dtxsid: DTXSID70973136
formula: C36H34N2O7S2
inchikey: ZZGBMZSDIUZQCL-UHFFFAOYSA-N
norman_susdat_id: NS00053701
pubchem_cid: 12805475
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(C(=C)C)N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3SS(=O)(=O)C5=CC=C(C=C5)C
name:
Benzhydryl [2R-[1(R*),2a,3a]]-a-(isopropenyl)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate

inchi:
InChI=1/C36H34N2O7S2/c1-24(2)32(36(41)45-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27)38-34(40)31(37-30(39)23-44-28-17-11-6-12-18-28)35(38)46-47(42,43)29-21-19-25(3)20-22-29/h4-22,31-33,35H,1,23H2,2-3H3,(H,37,39)


cas: 57562-02-4
dtxsid: DTXSID30973137
formula: C29H26N2O7S
inchikey: QQAYRTHPIWQKCZ-UHFFFAOYSA-N
norman_susdat_id: NS00053702
pubchem_cid: NA
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(OC)CS(=O)C4N3C(=O)C4NC(=O)COC=5C=CC=CC5
name:
Diphenylmethyl [5S-(5a,6ß,7a)]-3-methoxy-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide

inchi:
InChI=1/C29H26N2O7S/c1-36-22-18-39(35)28-24(30-23(32)17-37-21-15-9-4-10-16-21)27(33)31(28)25(22)29(34)38-26(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-16,24,26,28H,17-18H2,1H3,(H,30,32)


name: N-[2-[(4,5-dicyano-1H-imidazol-2-yl)azo]-5-(diethylamino)phenyl]acetamide
cas: 57564-13-3
dtxsid: DTXSID3069190
formula: NA
inchikey: AMIQZHJEWZUYNL-UHFFFAOYSA-N
norman_susdat_id: NS00054600
pubchem_cid: 93715
smiles: CCN(CC)c2ccc(N=Nc1nc(C#N)c(C#N)n1)c(NC(C)=O)c2
inchi:
InChI=1/C17H18N8O/c1-4-25(5-2)12-6-7-13(14(8-12)20-11(3)26)23-24-17-21-15(9-18)16(10-19)22-17/h6-8H,4-5H2,1-3H3,(H,20,26)(H,21,22)


name: Tris(isopropoxy)titanium acetate
cas: 57567-87-0
formula: C11H24O5Ti
inchikey: JIPYURFPWBYHIF-UHFFFAOYSA-M
norman_susdat_id: NS00086746
smiles: CC(C)O[Ti](OC(C)C)OC(C)C.CC(=O)[O-]
inchi:
InChI=1/3C3H7O.C2H4O2.Ti/c3*1-3(2)4;1-2(3)4;/h3*3H,1-2H3;1H3,(H,3,4);/q3*-1;;+3/p-1/rC9H21O3Ti.C2H4O2/c1-7(2)10-13(11-8(3)4)12-9(5)6;1-2(3)4/h7-9H,1-6H3;1H3,(H,3,4)/p-1


cas: 57569-40-1
chemspiderid: 150006
dtxsid: DTXSID8069195
formula: C54H66O6
inchikey: JWXSMZJIYUUXSV-UHFFFAOYSA-N
norman_susdat_id: NS00033749
pubchem_cid: 171598
name:
1,4-Benzenedicarboxylic acid, bis[2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl] ester

inchi:
InChI=1S/C54H66O6/c1-31-21-37(45(55)41(25-31)51(5,6)7)29-39-23-33(3)27-43(53(11,12)13)47(39)59-49(57)35-17-19-36(20-18-35)50(58)60-48-40(24-34(4)28-44(48)54(14,15)16)30-38-22-32(2)26-42(46(38)56)52(8,9)10/h17-28,55-56H,29-30H2,1-16H3

smiles:
Cc1cc(c(O)c(Cc2c(OC(=O)c3ccc(cc3)C(=O)Oc3c(Cc4cc(C)cc(c4O)C(C)(C)C)cc(C)cc3C(C)(C)C)c(cc(C)c2)C(C)(C)C)c1)C(C)(C)C


cas: 57570-64-6
dtxsid: DTXSID10108728
norman_susdat_id: NS00109127
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1-difluoroethene, 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: Amineptine
cas: 57574-09-1
chebiid: CHEBI:32499
chemspiderid: 32091
dtxsid: DTXSID1048831
formula: C22H27N1O2
inchikey: ONNOFKFOZAJDHT-UHFFFAOYSA-N
norman_susdat_id: NS00015371
pubchem_cid: NA
smiles: C1CC2=CC=CC=C2C(C3=CC=CC=C31)NCCCCCCC(=O)O
inchi:
InChI=1S/C22H27NO2/c24-21(25)13-3-1-2-8-16-23-22-19-11-6-4-9-17(19)14-15-18-10-5-7-12-20(18)22/h4-7,9-12,22-23H,1-3,8,13-16H2,(H,24,25)


name: Aclarubicins
cas: 57576-44-0
chebiid: CHEBI:77980
chemspiderid: 272401
dtxsid: DTXSID1022554
formula: C42H53N1O15
inchikey: USZYSDMBJDPRIF-SVEJIMAYSA-N
norman_susdat_id: NS00003246
pubchem_cid: 308141
inchi:
InChI=1S/C42H53NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-11,14,18-20,24,27-31,35,39-40,45-46,49,51H,8,12-13,15-17H2,1-7H3/t18?,19?,20?,24?,27?,28-,29?,30?,31?,35-,39?,40?,42+/m0/s1

smiles:
CC[C@@]1(O)C[C@H](OC2CC(C(OC3CC(O)C(OC4CCC(=O)C(C)O4)C(C)O3)C(C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC


cas: 57583-34-3
dtxsid: DTXSID4028042
formula: C31H60O6S3Sn
inchikey: ACRNSUGLVQJCOM-UHFFFAOYSA-K
norman_susdat_id: NS00052511
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)C
name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

inchi:
InChI=1/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3/rC31H60O6S3Sn/c1-8-14-17-26(11-4)20-35-29(32)23-38-41(7,39-24-30(33)36-21-27(12-5)18-15-9-2)40-25-31(34)37-22-28(13-6)19-16-10-3/h26-28H,8-25H2,1-7H3


name: 2-ethylhexyl 10-ethyl-4,4-dimethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
cas: 57583-35-4
dtxsid: DTXSID9028043
formula: C22H44O4S2Sn
inchikey: YAHBZWSDRFSFOO-UHFFFAOYSA-L
norman_susdat_id: NS00053850
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(C)C
inchi:
InChI=1/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2/rC22H44O4S2Sn/c1-7-11-13-19(9-3)15-25-21(23)17-27-29(5,6)28-18-22(24)26-16-20(10-4)14-12-8-2/h19-20H,7-18H2,1-6H3


name: Tetraphenyl m-phenylene bis(phosphate)
cas: 57583-54-7
chemspiderid: 84241
dtxsid: DTXSID8069197
formula: C30H24O8P2
inchikey: OWICEWMBIBPFAH-UHFFFAOYSA-N
norman_susdat_id: NS00008442
pubchem_cid: 93311
smiles: O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
inchi:
InChI=1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H


cas: 57583-69-4
formula: C23H14Cl2N6O10S3.3Na
inchikey: ZZHYREJHWJCRBB-UHFFFAOYSA-K
norman_susdat_id: NS00086151
name:
Trisodium 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C23H14Cl2N6O10S3.3Na/c24-21-27-22(25)29-23(28-21)26-15-9-12(42(33,34)35)7-11-8-16(43(36,37)38)18(19(32)17(11)15)31-30-14-6-5-10-3-1-2-4-13(10)20(14)44(39,40)41;;;/h1-9,32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,26,27,28,29);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n5


name: 5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 57583-72-9
formula: C18H21N6.CH3O4S
inchikey: OJOFEQZVVKCEMC-UHFFFAOYSA-N
norman_susdat_id: NS00086837
smiles: CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]S(=O)(=O)OC
inchi:
InChI=1/C18H22N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-5-6(2,3)4/h4-12,14,18H,13H2,1-3H3;1H3,(H,2,3,4)


name: 3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium methyl sulphate
cas: 57583-74-1
dtxsid: DTXSID50206212
formula: C17H17N4S
inchikey: DUOFITVAUAHUEE-UHFFFAOYSA-M
norman_susdat_id: NS00052867
pubchem_cid: 16205153
smiles: O=S(=O)([O-])OC.N(=NC=1SC=C[N+]1C)C2=CC=C(C=C2)N(C=3C=CC=CC3)C
inchi:
InChI=1/C17H17N4S.CH4O4S/c1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2-[(8-amino-1-hydroxy-3,6-disulpho-2-naphthyl)azo]naphthalene-1,5-disulphonic acid
cas: 57583-83-2
formula: C20H15N3O13S4
inchikey: GAUPYFDEVHTURJ-UHFFFAOYSA-N
norman_susdat_id: NS00052868
pubchem_cid: 93729
smiles: O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)O)=C3S(=O)(=O)O)C(=CC2=C1)S(=O)(=O)O
inchi:
InChI=1/C20H15N3O13S4/c21-13-8-10(37(25,26)27)6-9-7-16(39(31,32)33)18(19(24)17(9)13)23-22-14-5-4-11-12(20(14)40(34,35)36)2-1-3-15(11)38(28,29)30/h1-8,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)


cas: 57589-85-2
chemspiderid: 142950
dtxsid: DTXSID80880488
formula: C22H6Cl4F17N1O6S1
inchikey: MHLSLBDGGOWEJB-UHFFFAOYSA-N
norman_susdat_id: NS00011426
pubchem_cid: 162831
name:
2,3,4,5-Tetrachloro-6-((3-(perfluorooctyl)sulfonyloxy)phenylaminocarbonyl)benzoic acid, potassium salt

inchi:
InChI=1S/C22H6Cl4F17NO6S.K/c23-9-7(8(14(46)47)10(24)12(26)11(9)25)13(45)44-5-2-1-3-6(4-5)50-51(48,49)22(42,43)20(37,38)18(33,34)16(29,30)15(27,28)17(31,32)19(35,36)21(39,40)41;/h1-4H,(H,44,45)(H,46,47);/q;+1/p-1

smiles:
C1=C(O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=CC=C1NC(=O)C2=C(C(=C(Cl)C(=C2Cl)Cl)Cl)C([O-])=O.[K+]


name: Magnesium diicosanoate
cas: 57593-01-8
formula: C20H40O2.1/2Mg
inchikey: WMJYMUUIWPPMGJ-UHFFFAOYSA-L
norman_susdat_id: NS00086839
smiles: [Mg+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Mg/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: Fluorotelomer phosphate monoester (Perfluorodecyl phosphate)
cas: 576-16-9
chebiid: CHEBI:83541
chemspiderid: 8319248
dtxsid: DTXSID60874027
formula: C10H6F17O4P1
inchikey: MIABSAQIFYEDJP-UHFFFAOYSA-N
norman_susdat_id: NS00000432
pubchem_cid: 10143739
smiles: O=P(O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O
inchi:
InChI=1/C10H6F17O4P/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H2,28,29,30)


name: Biocytin
cas: 576-19-2
chebiid: CHEBI:27870
chemspiderid: 2732569
formula: C16H28N4O4S1
inchikey: BAQMYDQNMFBZNA-MNXVOIDGSA-N
norman_susdat_id: NS00014798
pubchem_cid: NA
smiles: O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)O)N
inchi:
InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1


name: 1-[(morpholinecarbonyl)oxy]pyridinium chloride
cas: 57605-17-1
dtxsid: DTXSID60973180
formula: C10H13N2O3
inchikey: IHIQQWNCVPIOSB-UHFFFAOYSA-M
norman_susdat_id: NS00053851
pubchem_cid: 6453509
smiles: [Cl-].O=C(O[N+]=1C=CC=CC1)C2OCCNC2
inchi:
InChI=1/C10H13N2O3.ClH/c13-10(9-8-11-4-7-14-9)15-12-5-2-1-3-6-12;/h1-3,5-6,9,11H,4,7-8H2;1H/q+1;/p-1


cas: 57605-30-8
formula: C36H34N2O8S2
inchikey: NYBNBJUAHGUHSR-UHFFFAOYSA-N
norman_susdat_id: NS00052955
pubchem_cid: NA
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(=C(OC)C)N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3SS(=O)(=O)C5=CC=C(C=C5)C
name:
Benzhydryl [2R-[1(E),2a,3a]]-a-(1-methoxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate

inchi:
InChI=1/C36H34N2O8S2/c1-24-19-21-29(22-20-24)48(42,43)47-35-31(37-30(39)23-45-28-17-11-6-12-18-28)34(40)38(35)32(25(2)44-3)36(41)46-33(26-13-7-4-8-14-26)27-15-9-5-10-16-27/h4-22,31,33,35H,23H2,1-3H3,(H,37,39)


name: Propane-1,3-diyl bis(4-aminobenzoate)
cas: 57609-64-0
chemspiderid: 84242
dtxsid: DTXSID3044960
formula: C17H18N2O4
inchikey: YPACMOORZSDQDQ-UHFFFAOYSA-N
norman_susdat_id: NS00033756
pubchem_cid: 93312
smiles: Nc1ccc(cc1)C(=O)OCCCOC(=O)c1ccc(N)cc1
inchi:
InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2


name: 4-[2-[5-[4-(diethylamino)phenyl]-4,5-dihydro-1-phenyl-1H-pyrazol-3-yl]vinyl]-N,N-diethylaniline
cas: 57609-72-0
dtxsid: DTXSID10886236
formula: C31H38N4
inchikey: BZKRKPGZABEOSM-XMHGGMMESA-N
norman_susdat_id: NS00052956
pubchem_cid: 6286388
smiles: N1=C(C=CC2=CC=C(C=C2)N(CC)CC)CC(C3=CC=C(C=C3)N(CC)CC)N1C=4C=CC=CC4
inchi:
InChI=1/C31H38N4/c1-5-33(6-2)28-20-15-25(16-21-28)14-19-27-24-31(35(32-27)30-12-10-9-11-13-30)26-17-22-29(23-18-26)34(7-3)8-4/h9-23,31H,5-8,24H2,1-4H3


name: 2-ethylhexyl 4-[[(benzoylthio)dibutylstannyl]oxy]-4-oxoisocrotonate
cas: 5762-18-5
formula: C27H42O5SSn
inchikey: JNVDDDHXSAKOHZ-LIIRSGIESA-L
norman_susdat_id: NS00048053
pubchem_cid: 57351105
smiles: O=C(OCC(CC)CCCC)C=CC(=O)O[Sn](SC(=O)C=1C=CC=CC1)(CCCC)CCCC
inchi:
InChI=1/C12H20O4.C7H6OS.2C4H9.Sn/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC27H42O5SSn/c1-5-9-15-23(8-4)22-31-25(28)18-19-26(29)32-34(20-10-6-2,21-11-7-3)33-27(30)24-16-13-12-14-17-24/h12-14,16-19,23H,5-11,15,20-22H2,1-4H3


name: Succinic acid, compound with 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (1:2)
cas: 57625-97-5
formula: C18H18N2.1/2C4H6O4
inchikey: CWPXTCGHZPJPMI-UHFFFAOYSA-N
norman_susdat_id: NS00085823
smiles: OC(=O)CCC(=O)O.C1CN=C(N1)C2CC2(c3ccccc3)c4ccccc4.C5CN=C(N5)C6CC6(c7ccccc7)c8ccccc8
inchi:
InChI=1/2C18H18N2.C4H6O4/c2*1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h2*1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8)


name: L-arginine monothiazolidine-4-carboxylate
cas: 57631-15-9
formula: C6H14N4O2.C4H7NO2S
inchikey: JEOQACOXAOEPLX-WCCKRBBISA-N
norman_susdat_id: NS00086211
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)C1CSCN1
inchi:
InChI=1/C6H14N4O2.C4H7NO2S/c7-4(5(11)12)2-1-3-10-6(8)9;6-4(7)3-1-8-2-5-3/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3,5H,1-2H2,(H,6,7)


name: (±)-1-benzoyl-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide
cas: 57632-66-3
formula: C18H24N2O3
inchikey: VLJYURHJBDTROS-UHFFFAOYSA-N
norman_susdat_id: NS00052979
pubchem_cid: 93738
smiles: O=C(C=1C=CC=CC1)N2C(=O)CCC2C(=O)N(CCC)CCC
inchi:
InChI=1/C18H24N2O3/c1-3-12-19(13-4-2)18(23)15-10-11-16(21)20(15)17(22)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3


name: (±)-1-benzoyl-N,N-dihexyl-5-oxopyrrolidine-2-carboxamide
cas: 57632-69-6
dtxsid: DTXSID80973208
formula: C24H36N2O3
inchikey: PYZKOIZVQCSZBO-UHFFFAOYSA-N
norman_susdat_id: NS00052526
pubchem_cid: 93741
smiles: O=C(C=1C=CC=CC1)N2C(=O)CCC2C(=O)N(CCCCCC)CCCCCC
inchi:
InChI=1/C24H36N2O3/c1-3-5-7-12-18-25(19-13-8-6-4-2)24(29)21-16-17-22(27)26(21)23(28)20-14-10-9-11-15-20/h9-11,14-15,21H,3-8,12-13,16-19H2,1-2H3


name: (±)-1-benzoyl-5-oxo-N,N-dipentylpyrrolidine-2-carboxamide
cas: 57632-70-9
dtxsid: DTXSID40973209
formula: C22H32N2O3
inchikey: AQWNKMIOQXJKGV-UHFFFAOYSA-N
norman_susdat_id: NS00052527
pubchem_cid: 93742
smiles: O=C(C=1C=CC=CC1)N2C(=O)CCC2C(=O)N(CCCCC)CCCCC
inchi:
InChI=1/C22H32N2O3/c1-3-5-10-16-23(17-11-6-4-2)22(27)19-14-15-20(25)24(19)21(26)18-12-8-7-9-13-18/h7-9,12-13,19H,3-6,10-11,14-17H2,1-2H3


name: (±)-1-benzoyl-5-(1-pyrrolidinylcarbonyl)pyrrolidin-2-one
cas: 57632-71-0
dtxsid: DTXSID50973210
formula: C16H18N2O3
inchikey: UAJWPUQWJOYSIT-UHFFFAOYSA-N
norman_susdat_id: NS00053029
pubchem_cid: 93743
smiles: O=C(C=1C=CC=CC1)N2C(=O)CCC2C(=O)N3CCCC3
inchi:
InChI=1/C16H18N2O3/c19-14-9-8-13(16(21)17-10-4-5-11-17)18(14)15(20)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2


name: Bismuth(3+) tripotassium bis[2-hydroxypropane-1,2,3-tricarboxylate]
cas: 57644-54-9
formula: C6H8O7.1/2Bi.3/2K
inchikey: MTFUXYXMQDBYHE-UHFFFAOYSA-H
norman_susdat_id: NS00085849
smiles: [K+].[K+].[K+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.Bi.3K.3H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;/q;;+3;3*+1;;;/p-6/r2C6H8O7.BiH3.3K/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3;;;/q;;+3;3*+1/p-6


name: Sermetacin
cas: 57645-05-3
chemspiderid: 58921
dtxsid: DTXSID10206334
formula: C22H21Cl1N2O6
inchikey: AUDFHJLSHQWFQQ-SFHVURJKSA-N
norman_susdat_id: NS00033761
pubchem_cid: 65469
smiles: COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)N[C@@H](CO)C(=O)O
inchi:
InChI=1S/C22H21ClN2O6/c1-12-16(10-20(27)24-18(11-26)22(29)30)17-9-15(31-2)7-8-19(17)25(12)21(28)13-3-5-14(23)6-4-13/h3-9,18,26H,10-11H2,1-2H3,(H,24,27)(H,29,30)/t18-/m0/s1


name: Clebopride hydrochloride
cas: 57645-39-3
dtxsid: DTXSID10206339
formula: C20H25Cl2N3O2
inchikey: YFLOJFUMBVJTRZ-UHFFFAOYSA-N
norman_susdat_id: NS00076173
smiles: Cl.COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC2=CC=CC=C2)CC1
inchi:
InChI=1S/C20H24ClN3O2.ClH/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);1H


name: Malic acid, compound with 4-amino-N-[1-(benzyl)piperidin-4-yl]-5-chloro-2-methoxybenzamide (1:1)
cas: 57645-91-7
chebiid: CHEBI:31408
formula: C20H24ClN3O2.C4H6O5
inchikey: NYNKCGWJPNZJMI-UHFFFAOYSA-N
norman_susdat_id: NS00086880
smiles: COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2.OC(CC(=O)O)C(=O)O
inchi:
InChI=1/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9)


name: N,N,N'-trimethyl-N'-(3-phenyl-1H-indol-1-yl)ethylenediamine monohydrochloride
cas: 57647-35-5
dtxsid: DTXSID50973230
formula: C19H23N3
inchikey: LWSDQRSJVPCQRC-UHFFFAOYSA-N
norman_susdat_id: NS00052529
pubchem_cid: 42510
smiles: Cl.C=1C=CC(=CC1)C2=CN(C=3C=CC=CC23)N(C)CCN(C)C
inchi:
InChI=1/C19H23N3.ClH/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22;/h4-12,15H,13-14H2,1-3H3;1H


name: Timiperone
cas: 57648-21-2
chebiid: CHEBI:135631
dtxsid: DTXSID9023673
formula: C22H24FN3OS
inchikey: YDLQKLWVKKFPII-UHFFFAOYSA-N
norman_susdat_id: NS00053030
pubchem_cid: NA
smiles: O=C(C1=CC=C(F)C=C1)CCCN2CCC(N3C(=S)NC=4C=CC=CC43)CC2
inchi:
InChI=1/C22H24FN3OS/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)


name: 3,4-Dihydrobenz(a)anthracen-1(2H)-one
cas: 57652-74-1
chemspiderid: 537809
dtxsid: DTXSID10206354
formula: C18H14O1
inchikey: LVBDYVLCOBUBNZ-UHFFFAOYSA-N
norman_susdat_id: NS00033765
pubchem_cid: 618826
smiles: O=C1CCCc2c1c1cc3ccccc3cc1cc2
inchi:
InChI=1S/C18H14O/c19-17-7-3-6-12-8-9-15-10-13-4-1-2-5-14(13)11-16(15)18(12)17/h1-2,4-5,8-11H,3,6-7H2


name: Fenobam
cas: 57653-26-6
chebiid: CHEBI:92728
dtxsid: DTXSID5046770
formula: C11H11ClN4O2
inchikey: DWPQODZAOSWNHB-UHFFFAOYSA-N
norman_susdat_id: NS00068071
smiles: CN1CC(O)=N/C1=NC(=O)Nc1cccc(Cl)c1
inchi:
InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)


name: 4-tert-Butylcyclohexyl phenylacetate
cas: 57663-68-0
chemspiderid: 84630
dtxsid: DTXSID80206366
formula: C18H26O2
inchikey: BIJPZGIOMHKTGP-UHFFFAOYSA-N
norman_susdat_id: NS00033767
pubchem_cid: 93761
smiles: CC(C)(C)C1CCC(CC1)OC(=O)Cc1ccccc1
inchi:
InChI=1S/C18H26O2/c1-18(2,3)15-9-11-16(12-10-15)20-17(19)13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/t15-,16+


name: Oxycodone,Â Nor
cas: 57664-96-7
chebiid: CHEBI:168092
chemspiderid: 4590081
formula: C17H19N1O4
inchikey: RIKMCJUNPCRFMW-ISWURRPUSA-N
norman_susdat_id: NS00004456
pubchem_cid: 5489120
smiles: COc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
inchi:
InChI=1S/C17H19NO4/c1-21-11-3-2-9-8-12-17(20)5-4-10(19)15-16(17,6-7-18-12)13(9)14(11)22-15/h2-3,12,15,18,20H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1


name: Carboxymethyl stearate
cas: 5767-84-0
dtxsid: DTXSID10973271
formula: C20H38O4
inchikey: HWLBIEAKJSRKOD-UHFFFAOYSA-N
norman_susdat_id: NS00047411
pubchem_cid: 79834
smiles: O=C(O)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H,21,22)


name: Baccatin IV
cas: 57672-77-2
chemspiderid: 15275710
formula: C32H44O14
inchikey: CCJGGIKEFAWREN-WBPIOOJSSA-N
norman_susdat_id: NS00093870
pubchem_cid: 10295377
smiles:
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C


cas: 57672-79-4
dtxsid: DTXSID70747076
formula: C37H46O14
inchikey: UJFKTEIDORFVQS-XYEQATCPSA-N
norman_susdat_id: NS00094788
pubchem_cid: 15378021
name:
(5beta,7alpha,9alpha,10alpha,13alpha)-4,7,9,10,13-Pentakis(acetyloxy)-1-hydroxy-5,20-epoxytax-11-en-2-yl benzoate

inchi:
InChI=1S/C37H46O14/c1-18-25(46-19(2)38)16-37(44)32(50-33(43)24-13-11-10-12-14-24)30-35(9,26(47-20(3)39)15-27-36(30,17-45-27)51-23(6)42)31(49-22(5)41)29(48-21(4)40)28(18)34(37,7)8/h10-14,25-27,29-32,44H,15-17H2,1-9H3/t25-,26+,27+,29-,30-,31-,32-,35+,36-,37+/m0/s1

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


name: 9-Octadecenoic acid (9Z)-, 2-ethyl-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl ester
cas: 57675-44-2
chemspiderid: 4941307
dtxsid: DTXSID4028044
formula: C60H110O6
inchikey: BTGGRPUPMPLZNT-PGEUSFDPSA-N
norman_susdat_id: NS00019494
pubchem_cid: 6436686
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC/C=CCCCCCCCC)COC(=O)CCCCCCC/C=CCCCCCCCC
inchi:
InChI=1S/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27-,31-28-,32-29-


cas: 57677-97-1
formula: C20H9F34O4P.C4H11NO2
inchikey: YGJRUVMNNWUSMZ-UHFFFAOYSA-N
norman_susdat_id: NS00085867
name:
Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C20H9F34O4P.C4H11NO2/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57-59(55,56)58-4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54;6-3-1-5-2-4-7/h1-4H2,(H,55,56);5-7H,1-4H2

smiles:
OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 57677-98-2
formula: C24H9F42O4P.C4H11NO2
inchikey: RTNJPMVQJMDHGX-UHFFFAOYSA-N
norman_susdat_id: NS00086254
name:
Bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl] hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)

inchi:
InChI=1/C24H9F42O4P.C4H11NO2/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66;6-3-1-5-2-4-7/h1-4H2,(H,67,68);5-7H,1-4H2

smiles:
OCCNCCO.OP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Bis(2-(perfluorododecyl)ethyl) hydrogen phosphate
cas: 57677-99-3
chemspiderid: 2288812
dtxsid: DTXSID50206378
formula: C28H9F50O4P1
inchikey: BRIQAVTVXOWEGR-UHFFFAOYSA-N
norman_susdat_id: NS00011039
pubchem_cid: 3022257
inchi:
InChI=1S/C28H9F50O4P/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78/h1-4H2,(H,79,80)

smiles:
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO[P](=O)(OCCC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O


cas: 57678-00-9
formula: C28H9F50O4P.C4H11NO2
inchikey: YOGVMPHDBJJLTR-UHFFFAOYSA-N
norman_susdat_id: NS00086255
name:
Bis(2-hydroxyethyl)ammonium bis[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] phosphate

inchi:
InChI=1/C28H9F50O4P.C4H11NO2/c29-5(30,7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)21(61,62)23(65,66)25(69,70)27(73,74)75)1-3-81-83(79,80)82-4-2-6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(59,60)22(63,64)24(67,68)26(71,72)28(76,77)78;6-3-1-5-2-4-7/h1-4H2,(H,79,80);5-7H,1-4H2

smiles:
OCC[NH2+]CCO.[O-]P(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-(Perfluorohexyl)ethanol dihydrogen phosphate bis(2-hydroxyethyl)amine
cas: 57678-02-1
dtxsid: DTXSID10880491
formula: C12H17F13NO6P
inchikey: KFODOQJFFHAVNR-UHFFFAOYSA-N
norman_susdat_id: NS00109214
smiles: OCCNCCO.OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H6F13O4P.C4H11NO2/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;6-3-1-5-2-4-7/h1-2H2,(H2,22,23,24);5-7H,1-4H2


name: 10:2 Fluorotelomer dihydrogen phosphate
cas: 57678-05-4
chemspiderid: 84635
dtxsid: DTXSID20206380
formula: C12H6F21O4P1
inchikey: MCYKSXMNSXNCIY-UHFFFAOYSA-N
norman_susdat_id: NS00011029
pubchem_cid: 93767
smiles: C(O[P](=O)(O)O)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C12H6F21O4P/c13-3(14,1-2-37-38(34,35)36)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,(H2,34,35,36)


name: 12:2 Fluorotelomer dihydrogen phosphate
cas: 57678-07-6
chemspiderid: 84636
dtxsid: DTXSID40880489
formula: C14H6F25O4P1
inchikey: ROUGOWJCVFOXHO-UHFFFAOYSA-N
norman_susdat_id: NS00011031
pubchem_cid: 93768
inchi:
InChI=1S/C14H6F25O4P/c15-3(16,1-2-43-44(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)

smiles:
C(O[P](=O)(O)O)CC(C(C(C(C(C(C(C(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


name: 2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl ester
cas: 57678-90-7
chemspiderid: NA
dtxsid: DTXSID30881364
formula: C15H10F18O2
inchikey: JIFGTNPOBGCFCV-UHFFFAOYSA-N
norman_susdat_id: NS00019143
pubchem_cid: NA
smiles: CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C
inchi:
InChI=1S/C15H10F18O2/c1-3-6(34)35-5-4-8(18,19)10(22,23)12(26,27)14(30,31)15(32,33)13(28,29)11(24,25)9(20,21)7(2,16)17/h3H,1,4-5H2,2H3


name: Sucrosofate
cas: 57680-56-5
formula: C12H22O35S8
inchikey: WEPNHBQBLCNOBB-UGDNZRGBSA-N
norman_susdat_id: NS00073499
pubchem_cid: 444237
inchi:
InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1

smiles:
O=S(=O)(O)OC[C@H]1O[C@H](O[C@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O


name: Bis(2-(succinimidooxycarbonyloxy)ethyl)sulfone
cas: 57683-72-4
chemspiderid: 84638
dtxsid: DTXSID20206385
formula: C14H16N2O12S1
inchikey: XUDGDVPXDYGCTG-UHFFFAOYSA-N
norman_susdat_id: NS00033771
pubchem_cid: 93771
smiles: O=C(OCCS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
inchi:
InChI=1S/C14H16N2O12S/c17-9-1-2-10(18)15(9)27-13(21)25-5-7-29(23,24)8-6-26-14(22)28-16-11(19)3-4-12(16)20/h1-8H2


cas: 57693-14-8
dtxsid: DTXSID9028045
formula: C40H30CrN6Na3O14S2
inchikey: QXXNHKKSBCSURQ-NADPZLHQSA-J
norman_susdat_id: NS00075870
name:
Chromate(3-), bis[3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium (1:3)

inchi:
InChI=1/2C20H17N3O7S.Cr.3Na/c2*24-15-9-8-11-4-1-2-5-12(11)19(15)21-22-20-13-6-3-7-14(23(26)27)18(13)17(10-16(20)25)31(28,29)30;;;;/h2*1-3,7-10,14,24-25H,4-6H2,(H,28,29,30);;;;/q;;4*+1/p-4/b2*22-21-;;;;

smiles:
[Na+].[Na+].[Na+].OS(=O)(=O)C1=CC2=C(N=N/C3=C(O[Cr-3]4(OC5=C(N=N/C6=C(O4)C=C(C4=C6CC=CC4[N+]([O-])=O)S(O)(=O)=O)C4=C(CC=CC4)C=C5)O2)C=CC2=C3CC=CC2)C2=C1C(C=CC2)[N+]([O-])=O


name: Docusate sodium
cas: 577-11-7
chebiid: CHEBI:4674
dtxsid: DTXSID8022959
formula: C20H37NaO7S
inchikey: APSBXTVYXVQYAB-UHFFFAOYSA-M
norman_susdat_id: NS00074370
smiles: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
inchi:
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1


name: Aphylline
cas: 577-37-7
chemspiderid: 391243
dtxsid: DTXSID80332013
formula: C15H24N2O
inchikey: YQMWQSMYVPLYDI-SYQHCUMBSA-N
norman_susdat_id: NS00094820
pubchem_cid: 442940
smiles: O=C1[C@@H]2C[C@H](CN3CCCC[C@@H]23)[C@H]2CCCCN12
inchi:
InChI=1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12-,13-,14+/m1/s1


name: (S)-2-(3,4-dihydroxyphenyl)-7-(ß-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one
cas: 577-38-8
dtxsid: DTXSID70973292
formula: C21H22O11
inchikey: DGGOLFCPSUVVHX-RTHJTPBESA-N
norman_susdat_id: NS00042907
pubchem_cid: 101781
smiles: O=C1C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C2OC(C4=CC=C(O)C(O)=C4)C1
inchi:
InChI=1/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2


name: Iodoalphionic acid
cas: 577-91-3
chebiid: CHEBI:135796
chemspiderid: 10872
dtxsid: DTXSID6046131
formula: C15H12I2O3
inchikey: IKYIXZSIKOYSLD-UHFFFAOYSA-N
norman_susdat_id: NS00001139
pubchem_cid: 11350
smiles: OC(=O)C(Cc1cc(I)c(O)c(I)c1)c1ccccc1
inchi:
InChI=1S/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)


name: 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-N-tridecylnaphthalen-2-amine
cas: 57712-94-4
formula: C37H47N5
inchikey: QAGZJRBUGVRFNF-UHFFFAOYSA-N
norman_susdat_id: NS00052965
pubchem_cid: 3017081
smiles: N(=NC=1C=CC=CC1C)C2=CC=C(N=NC3=C(C=CC=4C=CC=CC43)NCCCCCCCCCCCCC)C(=C2)C
inchi:
InChI=1/C37H47N5/c1-4-5-6-7-8-9-10-11-12-13-18-27-38-36-25-23-31-20-15-16-21-33(31)37(36)42-41-35-26-24-32(28-30(35)3)39-40-34-22-17-14-19-29(34)2/h14-17,19-26,28,38H,4-13,18,27H2,1-3H3


name: N-[1-(phenylmethyl)piperidin-4-yl]benzene-1,2-diamine
cas: 57718-47-5
dtxsid: DTXSID80973309
formula: C18H23N3
inchikey: MHXACMFKKGZLNW-UHFFFAOYSA-N
norman_susdat_id: NS00053075
pubchem_cid: 93779
smiles: NC=1C=CC=CC1NC2CCN(CC=3C=CC=CC3)CC2
inchi:
InChI=1/C18H23N3/c19-17-8-4-5-9-18(17)20-16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,20H,10-14,19H2


name: N-[1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-yl]benzene-1,4-diamine
cas: 57718-48-6
dtxsid: DTXSID60206425
formula: C23H30FN3O2
inchikey: HJFIMMPGFZUPEU-UHFFFAOYSA-N
norman_susdat_id: NS00052577
pubchem_cid: 93780
smiles: FC1=CC=C(C=C1)C2(OCCO2)CCCN3CCC(NC4=CC=C(N)C=C4)CC3
inchi:
InChI=1/C23H30FN3O2/c24-19-4-2-18(3-5-19)23(28-16-17-29-23)12-1-13-27-14-10-22(11-15-27)26-21-8-6-20(25)7-9-21/h2-9,22,26H,1,10-17,25H2


name: Sodium 6-amino-5-[[4-chloro-2-(trifluoromethyl)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 57741-47-6
formula: C17H11ClF3N3O4S.Na
inchikey: GVLHHJPRNMDLLL-UHFFFAOYSA-M
norman_susdat_id: NS00086209
smiles: [Na+].Clc3cc(c(N=Nc1c2c(O)cc(cc2ccc1N)S([O-])(=O)=O)cc3)C(F)(F)F
inchi:
InChI=1/C17H11ClF3N3O4S.Na/c18-9-2-4-13(11(6-9)17(19,20)21)23-24-16-12(22)3-1-8-5-10(29(26,27)28)7-14(25)15(8)16;/h1-7,25H,22H2,(H,26,27,28);/q;+1/p-1


name: 4,4'-(2-Furylmethylene)bis(N,N-dimethylaniline)
cas: 57751-98-1
chemspiderid: 84653
dtxsid: DTXSID40206448
formula: C21H24N2O1
inchikey: RFNXXUAWWBQHAZ-UHFFFAOYSA-N
norman_susdat_id: NS00033779
pubchem_cid: 93788
smiles: CN(C)c1ccc(cc1)C(c1ccco1)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C21H24N2O/c1-22(2)18-11-7-16(8-12-18)21(20-6-5-15-24-20)17-9-13-19(14-10-17)23(3)4/h5-15,21H,1-4H3


name: Dithiobis(succinimidylpropionate)
cas: 57757-57-0
chemspiderid: 84243
dtxsid: DTXSID00206449
formula: C14H16N2O8S2
inchikey: FXYPGCIGRDZWNR-UHFFFAOYSA-N
norman_susdat_id: NS00033781
pubchem_cid: 93313
smiles: O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
inchi:
InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2


name: Estra-1,3,5(10)-triene-3,17ß-diol 17-palmitate
cas: 5776-45-4
dtxsid: DTXSID00973346
formula: C34H54O3
inchikey: XQKLZLWOOGGXMV-KWXXMMNJSA-N
norman_susdat_id: NS00046730
pubchem_cid: 111095
smiles: O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3


name: 6 - [[6 - [(6 - amino - 1 - oxohexyl)amino] - 1 - oxohexyl]amino] - hexanoic acid
cas: 5776-78-3
dtxsid: DTXSID60429490
formula: C18H35N3O4
inchikey: JOIUZBTWMAYEQW-UHFFFAOYSA-N
norman_susdat_id: NS00112902
smiles: NCCCCCC(=O)NCCCCCC(=O)NCCCCCC(O)=O
inchi:
InChI=1S/C18H35N3O4/c19-13-7-1-4-10-16(22)20-14-8-2-5-11-17(23)21-15-9-3-6-12-18(24)25/h1-15,19H2,(H,20,22)(H,21,23)(H,24,25)


name: 2-[[(Heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethylethanaminium iodide
cas: 57765-32-9
chemspiderid: NA
dtxsid: DTXSID50881361
formula: C13H14F17N2O2S1
inchikey: FCKLKTONMBFOJD-UHFFFAOYSA-M
norman_susdat_id: NS00019144
pubchem_cid: NA
smiles: [I-].C[N+](C)(C)CCNS(=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/C13H14F17N2O2S/c1-32(2,3)5-4-31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h31H,4-5H2,1-3H3/q+1


name: N,N-dibenzyl-1',3'-dihydro-3',3'-dimethyl-1'-phenylspiro[2H-1-benzopyran-2,2'-(2')indol]-7-amine
cas: 57771-08-1
dtxsid: DTXSID70973353
formula: C38H34N2O
inchikey: BDUJLIUMGNAFFG-UHFFFAOYSA-N
norman_susdat_id: NS00053526
pubchem_cid: 93793
smiles: O1C=2C=C(C=CC2C=CC13N(C=4C=CC=CC4)C=5C=CC=CC5C3(C)C)N(CC=6C=CC=CC6)CC=7C=CC=CC7
inchi:
InChI=1/C38H34N2O/c1-37(2)34-20-12-13-21-35(34)40(32-18-10-5-11-19-32)38(37)25-24-31-22-23-33(26-36(31)41-38)39(27-29-14-6-3-7-15-29)28-30-16-8-4-9-17-30/h3-26H,27-28H2,1-2H3


name: Disuccinimido pentamethylenedicarbonate
cas: 57772-64-2
dtxsid: DTXSID30206457
formula: C15H18N2O10
inchikey: OIHHMUMDVHEYAA-UHFFFAOYSA-N
norman_susdat_id: NS00053576
pubchem_cid: 93794
smiles: O=C(ON1C(=O)CCC1=O)OCCCCCOC(=O)ON2C(=O)CCC2=O
inchi:
InChI=1/C15H18N2O10/c18-10-4-5-11(19)16(10)26-14(22)24-8-2-1-3-9-25-15(23)27-17-12(20)6-7-13(17)21/h1-9H2


name: Triptorelin
cas: 57773-63-4
chemspiderid: 11380138
dtxsid: DTXSID2048375
formula: C64H82N18O13
inchikey: VXKHXGOKWPXYNA-UHFFFAOYSA-N
norman_susdat_id: NS00001474
pubchem_cid: 25077179
inchi:
InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)

smiles:
CC(C)CC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCNC(N)=N)C(=O)N1CCCC1C(=O)NCC(N)=O


name: 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl pivalate
cas: 57773-81-6
dtxsid: DTXSID90973355
formula: C20H18Cl2N2O3
inchikey: JFOCMCPAFDDCKV-UHFFFAOYSA-N
norman_susdat_id: NS00053577
pubchem_cid: 93795
smiles: O=C(OC1N=C(C=2C=CC=CC2Cl)C=3C=C(Cl)C=CC3NC1=O)C(C)(C)C
inchi:
InChI=1/C20H18Cl2N2O3/c1-20(2,3)19(26)27-18-17(25)23-15-9-8-11(21)10-13(15)16(24-18)12-6-4-5-7-14(12)22/h4-10,18H,1-3H3,(H,23,25)


cas: 57775-22-1
formula: C19H28ClN5O
inchikey: BHKPQZVLIZKSAG-UHFFFAOYSA-N
norman_susdat_id: NS00054364
pubchem_cid: 40589
smiles: Cl.O=C1N(N=C(N1CC)CC)CCCN2CCN(C=3C=CC=C(Cl)C3)CC2
name:
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-2,4-dihydro-3H-1,2,4-triazol-3-one monohydrochloride

inchi:
InChI=1/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H


name: Sultosilic acid
cas: 57775-26-5
chebiid: CHEBI:135454
chemspiderid: 62018
dtxsid: DTXSID50206459
formula: C13H12O7S2
inchikey: SVXZTCUBEFUKRQ-UHFFFAOYSA-N
norman_susdat_id: NS00033787
pubchem_cid: 68775
smiles: Cc1ccc(cc1)S(=O)(=O)Oc1cc(c(O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H12O7S2/c1-9-2-5-11(6-3-9)22(18,19)20-10-4-7-12(14)13(8-10)21(15,16)17/h2-8,14H,1H3,(H,15,16,17)


name: Carazolol
cas: 57775-29-8
chebiid: CHEBI:135261
chemspiderid: 64783
dtxsid: DTXSID00866648
formula: C18H22N2O2
inchikey: BQXQGZPYHWWCEB-UHFFFAOYSA-N
norman_susdat_id: NS00008336
pubchem_cid: 71739
smiles: CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
inchi:
InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3


name: 9-chloro-11ß,17-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione
cas: 57780-87-7
formula: C22H29ClO4
inchikey: PPHLHSSXDSBOAQ-DTAAKRQUSA-N
norman_susdat_id: NS00053578
pubchem_cid: 21116963
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)C)C4(C)CC(O)C32Cl)C
inchi:
InChI=1/C22H29ClO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3


name: 2-bromo-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 57781-14-3
chebiid: CHEBI:31665
dtxsid: DTXSID30206477
formula: C25H29BrF2O7
inchikey: YCISZOVUHXIOFY-HKXOFBAYSA-N
norman_susdat_id: NS00054365
pubchem_cid: 91667
smiles: O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Br)C
inchi:
InChI=1/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3


name: Halopredone
cas: 57781-15-4
formula: C21H25BrF2O5
inchikey: MYZDPUZXMFCPMU-UHFFFAOYSA-N
norman_susdat_id: NS00053527
pubchem_cid: NA
smiles: O=C1C=C2C(F)CC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3(F)C2(C=C1Br)C
inchi:
InChI=1/C21H25BrF2O5/c1-18-8-16(27)21(24)11(10(18)3-4-20(18,29)17(28)9-25)5-14(23)12-6-15(26)13(22)7-19(12,21)2/h6-7,10-11,14,16,25,27,29H,3-5,8-9H2,1-2H3


name: 2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 57781-16-5
dtxsid: DTXSID00973361
formula: C25H28BrCl2FO6
inchikey: COPPKORMSHCPRR-HKXOFBAYSA-N
norman_susdat_id: NS00053528
pubchem_cid: 21116964
smiles: O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(Cl)C3(Cl)C2(C=C1Br)C
inchi:
InChI=1/C25H28BrCl2FO6/c1-12(30)34-11-21(33)24(35-13(2)31)6-5-14-15-7-18(29)16-8-19(32)17(26)9-23(16,4)25(15,28)20(27)10-22(14,24)3/h8-9,14-15,18,20H,5-7,10-11H2,1-4H3


name: 2-bromo-6ß,9-difluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 57781-19-8
dtxsid: DTXSID60973362
formula: C23H27BrF2O7
inchikey: JAWWELAUBJOEOF-CBDANFDESA-N
norman_susdat_id: NS00053064
pubchem_cid: 22810057
smiles: O=C1C=C2C(F)CC3C4CC(O)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Br)C
inchi:
InChI=1/C23H27BrF2O7/c1-10(27)33-9-19(31)23(32)17(29)6-11-12-4-15(25)13-5-16(28)14(24)7-20(13,2)22(12,26)18(30)8-21(11,23)3/h5,7,11-12,15,17-18,29-30,32H,4,6,8-9H2,1-3H3


name: 2-bromo-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 57781-23-4
dtxsid: DTXSID20973363
formula: C23H27BrF2O6
inchikey: IZAIDEPSSMAJPO-BGHJQIAUSA-N
norman_susdat_id: NS00053065
pubchem_cid: 21116965
smiles: O=C1C=C2C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Br)C
inchi:
InChI=1/C23H27BrF2O6/c1-11(27)32-10-19(30)22(31)5-4-12-13-6-16(25)14-7-17(28)15(24)8-21(14,3)23(13,26)18(29)9-20(12,22)2/h7-8,12-13,16,18,29,31H,4-6,9-10H2,1-3H3


name: 2-bromo-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)
cas: 57781-53-0
dtxsid: DTXSID80973364
formula: C26H30BrFO6
inchikey: YUEHHSDUXVVLBM-WXUUMGDLSA-N
norman_susdat_id: NS00053529
pubchem_cid: 21116966
smiles: O=C1C=C2C(F)CC3C(=CCC4(C)C3CC(C)C4(OC(=O)C)C(=O)COC(=O)C)C2(C=C1Br)C
inchi:
InChI=1/C26H30BrFO6/c1-13-8-18-16-9-21(28)19-10-22(31)20(27)11-24(19,4)17(16)6-7-25(18,5)26(13,34-15(3)30)23(32)12-33-14(2)29/h6,10-11,13,16,18,21H,7-9,12H2,1-5H3


cas: 57781-61-0
formula: C26H30BrCl2FO6
inchikey: CAPJXOFUERKRLV-NHWDUKQOSA-N
norman_susdat_id: NS00087253
name:
2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)

inchi:
InChI=1/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3

smiles:
C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br


cas: 57789-28-3
dtxsid: DTXSID60973367
formula: C26H30BrFO7
inchikey: GDCKMIOWCSGXQI-IQLVFYRISA-N
norman_susdat_id: NS00053530
pubchem_cid: 21116969
smiles: O=C1C=C2C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC5OC53C2(C=C1Br)C
name:
2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)

inchi:
InChI=1/C26H30BrFO7/c1-12-6-15-16-7-19(28)17-8-20(31)18(27)9-23(17,4)26(16)22(35-26)10-24(15,5)25(12,34-14(3)30)21(32)11-33-13(2)29/h8-9,12,15-16,19,22H,6-7,10-11H2,1-5H3


name: Cyclarbamate [INN:BAN:DCF]
cas: 5779-54-4
chebiid: CHEBI:135553
chemspiderid: 65062
dtxsid: DTXSID60206480
formula: C21H24N2O4
inchikey: IRZVVDMCEZNNCW-UHFFFAOYSA-N
norman_susdat_id: NS00033791
pubchem_cid: 72076
smiles: O=C(Nc1ccccc1)OCC1(COC(=O)Nc2ccccc2)CCCC1
inchi:
InChI=1S/C21H24N2O4/c24-19(22-17-9-3-1-4-10-17)26-15-21(13-7-8-14-21)16-27-20(25)23-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)(H,23,25)


name: Succinyldisalicylic acid
cas: 578-19-8
chemspiderid: 58553
dtxsid: DTXSID40206488
formula: C18H14O8
inchikey: PREOBXYMXLETCA-UHFFFAOYSA-N
norman_susdat_id: NS00033797
pubchem_cid: 65042
smiles: OC(=O)c1ccccc1OC(=O)CCC(=O)Oc1ccccc1C(=O)O
inchi:
InChI=1S/C18H14O8/c19-15(25-13-7-3-1-5-11(13)17(21)22)9-10-16(20)26-14-8-4-2-6-12(14)18(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)


name: 7-(ß-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
cas: 578-74-5
chebiid: CHEBI:16778
formula: C21H20O10
inchikey: KMOUJOKENFFTPU-QNDFHXLGSA-N
norman_susdat_id: NS00079827
smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2


name: 2,7-Naphthalenedisulfonic acid, 4-hydroxy-
cas: 578-85-8
chemspiderid: 39925
dtxsid: DTXSID3060370
formula: C10H8O7S2
inchikey: TZBROGJRQUABOK-UHFFFAOYSA-N
norman_susdat_id: NS00033806
pubchem_cid: 43853
smiles: Oc1c2ccc(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10/h1-5,11H,(H,12,13,14)(H,15,16,17)


name: Brotizolam
cas: 57801-81-7
chebiid: CHEBI:31308
chemspiderid: 2357
dtxsid: DTXSID0022692
formula: C15H10Br1Cl1N4S1
inchikey: UMSGKTJDUHERQW-UHFFFAOYSA-N
norman_susdat_id: NS00006212
pubchem_cid: 2451
smiles: Cc1nnc2CN=C(c3cc(Br)sc3-n12)c1ccccc1Cl
inchi:
InChI=1S/C15H10BrClN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3


name: Tripropyltin laurate
cas: 57808-37-4
formula: C21H44O2Sn
inchikey: GBVHWVQKJWLJKO-UHFFFAOYSA-M
norman_susdat_id: NS00086596
smiles: CCCCCCCCCCCC(=O)[O-].CCC[Sn+](CCC)CCC
inchi:
InChI=1/C12H24O2.3C3H7.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;3*1-3-2;/h2-11H2,1H3,(H,13,14);3*1,3H2,2H3;/q;;;;+1/p-1/rC12H24O2.C9H21Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-7-10(8-5-2)9-6-3/h2-11H2,1H3,(H,13,14);4-9H2,1-3H3/q;+1/p-1


name: Closantel
cas: 57808-65-8
chebiid: CHEBI:77054
chemspiderid: 38827
dtxsid: DTXSID6040662
formula: C22H14Cl2I2N2O2
inchikey: JMPFSEBWVLAJKM-UHFFFAOYSA-N
norman_susdat_id: NS00014203
pubchem_cid: 42574
smiles: Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c3cc(I)cc(I)c3O
inchi:
InChI=1S/C22H14Cl2I2N2O2/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29/h2-9,17,29H,1H3,(H,28,30)


name: Domperidone
cas: 57808-66-9
chebiid: CHEBI:31515
chemspiderid: 3039
dtxsid: DTXSID1045116
formula: C22H24Cl1N5O2
inchikey: FGXWKSZFVQUSTL-UHFFFAOYSA-N
norman_susdat_id: NS00002818
pubchem_cid: 3151
smiles: Clc1ccc2n(C3CCN(CCCn4c5ccccc5[nH]c4=O)CC3)c(=O)[nH]c2c1
inchi:
InChI=1S/C22H24ClN5O2/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30)


name: 2-bromo-6ß-fluoro-17,21-dihydroxypregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)
cas: 57808-78-3
dtxsid: DTXSID10973392
formula: C25H28BrFO6
inchikey: MCBUGZFLZRBBKP-GZVJLHMWSA-N
norman_susdat_id: NS00053552
pubchem_cid: 21116970
smiles: O=C1C=C2C(F)CC3C(=CCC4(C)C3CCC4(OC(=O)C)C(=O)COC(=O)C)C2(C=C1Br)C
inchi:
InChI=1/C25H28BrFO6/c1-13(28)32-12-22(31)25(33-14(2)29)8-6-17-15-9-20(27)18-10-21(30)19(26)11-23(18,3)16(15)5-7-24(17,25)4/h5,10-11,15,17,20H,6-9,12H2,1-4H3


name: 2-bromo-9ß,11ß-epoxy-6ß-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 57808-79-4
dtxsid: DTXSID70973393
formula: C25H28BrFO7
inchikey: HEORAMOKIXHENT-HRJIOPBASA-N
norman_susdat_id: NS00053553
pubchem_cid: 21116971
smiles: O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC5OC53C2(C=C1Br)C
inchi:
InChI=1/C25H28BrFO7/c1-12(28)32-11-20(31)24(33-13(2)29)6-5-14-15-7-18(27)16-8-19(30)17(26)9-23(16,4)25(15)21(34-25)10-22(14,24)3/h8-9,14-15,18,21H,5-7,10-11H2,1-4H3


name: Stevioside
cas: 57817-89-7
chebiid: CHEBI:9271
chemspiderid: 390625
dtxsid: DTXSID7021281
formula: C38H60O18
inchikey: UEDUENGHJMELGK-HYDKPPNVSA-N
norman_susdat_id: NS00015855
pubchem_cid: 442089
inchi:
InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1

smiles:
CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O


name: PYR_272.1759_8.8|O-Desmethyl Pyrilamine|4-[[2-(dimethylamino)ethyl-pyridin-2-ylamino]methyl]phenol
cas: 57830-29-2
chemspiderid: 20482749
formula: C16H21N3O1
inchikey: FCFBHFOEKQWQBR-UHFFFAOYSA-N
norman_susdat_id: NS00014476
pubchem_cid: 14076877
smiles: CN(C)CCN(Cc1ccc(O)cc1)c1ccccn1
inchi:
InChI=1S/C16H21N3O/c1-18(2)11-12-19(16-5-3-4-10-17-16)13-14-6-8-15(20)9-7-14/h3-10,20H,11-13H2,1-2H3


name: Benzoic acid, 4-[[(methylphenylamino)methylene]amino]-, ethyl ester
cas: 57834-33-0
chemspiderid: 84680
dtxsid: DTXSID5069207
formula: C17H18N2O2
inchikey: GNGYPJUKIKDJQT-UHFFFAOYSA-N
norman_susdat_id: NS00019908
pubchem_cid: 93817
smiles: CCOC(=O)c1ccc(cc1)N=CN(C)c1ccccc1
inchi:
InChI=1S/C17H18N2O2/c1-3-21-17(20)14-9-11-15(12-10-14)18-13-19(2)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b18-13+


name: Benzoic acid, 4-[[[[4-(ethoxycarbonyl)phenyl]amino]methylene]amino]-, ethyl ester
cas: 57834-50-1
chemspiderid: 84681
dtxsid: DTXSID0069208
formula: C19H20N2O4
inchikey: GQCWLVKRYZIQBN-UHFFFAOYSA-N
norman_susdat_id: NS00033798
pubchem_cid: 93818
smiles: CCOC(=O)c1ccc(NC=Nc2ccc(cc2)C(=O)OCC)cc1
inchi:
InChI=1S/C19H20N2O4/c1-3-24-18(22)14-5-9-16(10-6-14)20-13-21-17-11-7-15(8-12-17)19(23)25-4-2/h5-13H,3-4H2,1-2H3,(H,20,21)


name: Triphenylsulphonium hexafluorophosphate(1-)
cas: 57835-99-1
formula: C18H15S.F6P
inchikey: OFOZWFGJJSDVIP-UHFFFAOYSA-N
norman_susdat_id: NS00086550
smiles: F[P-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3
inchi:
InChI=1/C18H15S.F6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1


name: Triphenylsulphonium hexafluoroantimonate(1-)
cas: 57840-38-7
formula: C18H15S.F6Sb
inchikey: XQXNUAIVGUDYPW-UHFFFAOYSA-H
norman_susdat_id: NS00086279
smiles: F[Sb-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3
inchi:
InChI=1/C18H15S.6FH.Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h1-15H;6*1H;/q+1;;;;;;;+5/p-6/rC18H15S.F6Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7(2,3,4,5)6/h1-15H;/q+1;-1


name: Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-
cas: 57843-53-5
chemspiderid: 84683
dtxsid: DTXSID50866653
formula: C18H36N2O6
inchikey: UUCAVBDCVCFNIN-UHFFFAOYSA-N
norman_susdat_id: NS00006176
pubchem_cid: 93821
smiles: CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O
inchi:
InChI=1S/C18H36N2O6/c1-13(21)9-19(10-14(2)22)17(25)7-5-6-8-18(26)20(11-15(3)23)12-16(4)24/h13-16,21-24H,5-12H2,1-4H3


name: Ethyl [2'-(4-methoxybenzoyl)hydrazido]oxalate
cas: 57844-36-7
dtxsid: DTXSID20973429
formula: C12H14N2O5
inchikey: HVXZTCHALVFIBD-UHFFFAOYSA-N
norman_susdat_id: NS00053620
pubchem_cid: 93822
smiles: O=C(OCC)C(=O)NNC(=O)C1=CC=C(OC)C=C1
inchi:
InChI=1/C12H14N2O5/c1-3-19-12(17)11(16)14-13-10(15)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)


name: Cefedrolor
cas: 57847-69-5
chemspiderid: 168308
formula: C16H16Cl1N3O5S1
inchikey: RULITNAIJFZYLO-UEKVPHQBSA-N
norman_susdat_id: NS00011602
pubchem_cid: 193953
smiles: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(c(c3)Cl)O)N)SC1)C(=O)O
inchi:
InChI=1S/C16H16ClN3O5S/c1-6-5-26-15-11(14(23)20(15)12(6)16(24)25)19-13(22)10(18)7-2-3-9(21)8(17)4-7/h2-4,10-11,15,21H,5,18H2,1H3,(H,19,22)(H,24,25)/t10-,11-,15-/m1/s1


name: N2-[(1,1-dimethylethoxy)carbonyl]-N6-[[2-(methylsulphonyl)ethoxy]carbonyl]-L-lysine
cas: 57849-64-6
dtxsid: DTXSID90973436
formula: C15H28N2O8S
inchikey: RLQDBNNHPULZNU-NSHDSACASA-N
norman_susdat_id: NS00053621
pubchem_cid: 21116972
smiles: O=C(OCCS(=O)(=O)C)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O
inchi:
InChI=1/C15H28N2O8S/c1-15(2,3)25-14(21)17-11(12(18)19)7-5-6-8-16-13(20)24-9-10-26(4,22)23/h11H,5-10H2,1-4H3,(H,16,20)(H,17,21)(H,18,19)


name: Methylclostebol
cas: 5785-58-0
chebiid: CHEBI:79860
formula: C20H29ClO2
inchikey: SOMOGWLYTLQJGT-XMUHMHRVSA-N
norman_susdat_id: NS00097787
smiles: C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)Cl
inchi:
InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1


cas: 57852-57-0
chebiid: CHEBI:31686
formula: C26H27NO9.ClH
inchikey: JVHPTYWUBOQMBP-RVFAQHLVSA-N
norman_susdat_id: NS00087283
smiles: Cl.C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C
name:
(7S-cis)-9-acetyl-7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxynaphthacene-5,12-dione hydrochloride

inchi:
InChI=1/C26H27NO9.ClH/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31;/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3;1H


name: Naphthalenesulfonic acid, dinonyl-, calcium salt
cas: 57855-77-3
chemspiderid: 14362739
dtxsid: DTXSID4028046
formula: C28H44O3S1
inchikey: MKFUUBCXQNCPIP-UHFFFAOYSA-L
norman_susdat_id: NS00019403
pubchem_cid: 19787549
inchi:
InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31)

smiles:
[Ca++].CCCCCCCCCc1cc2c(cccc2)c(c1CCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCc1cc2c(cccc2)c(c1CCCCCCCCC)S(=O)(=O)[O-]


name: Clozapine
cas: 5786-21-0
chebiid: CHEBI:3766
chemspiderid: 10442628
dtxsid: DTXSID5022855
formula: C18H19Cl1N4
inchikey: QZUDBNBUXVUHMW-UHFFFAOYSA-N
norman_susdat_id: NS00000413
pubchem_cid: NA
smiles: C1(=Nc2c(Nc3c1cccc3)ccc(c2)Cl)N1CCN(CC1)C
inchi:
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3


name: 2-(1-piperazinyl)quinoline maleate
cas: 5786-68-5
dtxsid: DTXSID3045190
formula: C13H15N3
inchikey: QYJJDHZHSCTBII-BTJKTKAUSA-N
norman_susdat_id: NS00046732
pubchem_cid: 5702242
smiles: O=C(O)C=CC(=O)O.N=1C=2C=CC=CC2C=CC1N3CCNCC3
inchi:
InChI=1/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)


name: Disodium dihydrogen N,N'-1,2-cyclohexanediylbis[N-(carboxylatemethyl)glycinate]
cas: 5786-78-7
formula: C14H22N2O8.2Na
inchikey: TVTLKUMLAQUFAS-UHFFFAOYSA-L
norman_susdat_id: NS00082690
smiles: OC(=O)CN(CC(=O)O[Na])C1CCCCC1N(CC(=O)O)CC(=O)O[Na]
inchi:
InChI=1/C14H22N2O8.2Na/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2


name: Brucine nitrate
cas: 5786-97-0
formula: C23H26N2O4.HNO3
inchikey: FAUPZRZWQZAAOB-SUJBTXFYSA-N
norman_susdat_id: NS00083022
smiles: COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C6CN7CC[C@]4([C@@H]7C[C@H]56)c2cc1OC.O[N+](=O)[O-]
inchi:
InChI=1/C23H26N2O4.HNO3/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;2-1(3)4/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H,2,3,4)


name: Mk-0686
cas: 578727-68-1
dtxsid: DTXSID20206587
formula: C22H19ClF4N2O4
inchikey: WZZIQHIQMWJNLU-LLVKDONJSA-N
norman_susdat_id: NS00071844
pubchem_cid: 16102897
smiles: COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1
inchi:
InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1


name: (2-cyanopropyl)ethyl(2-ethylhexyl)sulphonium tetrafluoroborate(1-)
cas: 57875-98-6
dtxsid: DTXSID60973468
formula: C14H28NS
inchikey: LTIKVLQFZILOMW-UHFFFAOYSA-N
norman_susdat_id: NS00053092
pubchem_cid: 20841822
smiles: N#CC(C)C[S+](CC)CC(CC)CCCC.F[B-](F)(F)F
inchi:
InChI=1/C14H28NS.BF4/c1-5-8-9-14(6-2)12-16(7-3)11-13(4)10-15;2-1(3,4)5/h13-14H,5-9,11-12H2,1-4H3;/q+1;-1


name: Dodecylethyl[3-[(2-ethylhexyl)oxy]-3-oxopropyl]sulphonium tetrafluoroborate(1-)
cas: 57876-06-9
dtxsid: DTXSID20973469
formula: C25H51O2S
inchikey: HZFNCBQFFNDARH-UHFFFAOYSA-N
norman_susdat_id: NS00053567
pubchem_cid: 20841823
smiles: O=C(OCC(CC)CCCC)CC[S+](CC)CCCCCCCCCCCC.F[B-](F)(F)F
inchi:
InChI=1/C25H51O2S.BF4/c1-5-9-11-12-13-14-15-16-17-18-21-28(8-4)22-20-25(26)27-23-24(7-3)19-10-6-2;2-1(3,4)5/h24H,5-23H2,1-4H3;/q+1;-1


name: 5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione methanesulphonate
cas: 57884-92-1
formula: C35H39N5O5.xCH4O3S
inchikey: WECZKEGDCUZFPL-GRMMLOPMSA-N
norman_susdat_id: NS00086281
inchi:
InChI=1/C35H39N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)

smiles:
CC(C)[C@@]1(NC(=O)[C@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O


name: Nd1-Phosphonohistidine
cas: 5789-15-1
chebiid: CHEBI:64938
dtxsid: DTXSID10572960
formula: C6H10N3O5P
inchikey: VOHVXLVXSYAFOA-YFKPBYRVSA-N
norman_susdat_id: NS00070585
pubchem_cid: 15458487
smiles: N[C@@H](Cc1cncn1P(=O)(O)O)C(=O)O
inchi:
InChI=1S/C6H10N3O5P/c7-5(6(10)11)1-4-2-8-3-9(4)15(12,13)14/h2-3,5H,1,7H2,(H,10,11)(H2,12,13,14)/t5-/m0/s1


name: 5-(1H-indol-3-ylmethyl)-3-phenyl-2-thioxoimidazolidin-4-one
cas: 5789-24-2
formula: C18H15N3OS
inchikey: KZXRWWVROVHSPI-UHFFFAOYSA-N
norman_susdat_id: NS00047472
pubchem_cid: NA
smiles: O=C1N(C=2C=CC=CC2)C(=S)NC1CC3=CNC=4C=CC=CC43
inchi:
InChI=1/C18H15N3OS/c22-17-16(10-12-11-19-15-9-5-4-8-14(12)15)20-18(23)21(17)13-6-2-1-3-7-13/h1-9,11,16,19H,10H2,(H,20,23)


name: Antimony(3+) stearate
cas: 57898-46-1
formula: C18H36O2.1/3Sb
inchikey: QNWHVKHMMHAOFF-UHFFFAOYSA-K
norman_susdat_id: NS00087286
smiles: [SbH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Sb.3H/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/r3C18H36O2.H3Sb/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);1H3/q;;;+3/p-3


name: Oligomycin A
cas: 579-13-5
chemspiderid: 10308285
dtxsid: DTXSID80891317
formula: C45H74O11
inchikey: MNULEGDCPYONBU-WMBHJXFZSA-N
norman_susdat_id: NS00011657
pubchem_cid: 5281899
inchi:
InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1

smiles:
CC[C@H]1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)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: Cyclovalone
cas: 579-23-7
chemspiderid: 1266902
dtxsid: DTXSID7046386
formula: C22H22O5
inchikey: DHKKONBXGAAFTB-OTYYAQKOSA-N
norman_susdat_id: NS00003338
pubchem_cid: 1550234
smiles: COc1cc(C=C2/CCCC(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
inchi:
InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+


name: Isoxsuprine hydrochloride
cas: 579-56-6
chebiid: CHEBI:31735
formula: C18H23NO3.ClH
inchikey: QVPSGVSNYPRFAS-UHFFFAOYSA-N
norman_susdat_id: NS00080107
smiles: Cl.CC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2
inchi:
InChI=1/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H


name: Triphenylsulphonium hexafluoroarsenate(1-)
cas: 57900-42-2
formula: C18H15S.AsF6
inchikey: SYENPFUVTQGHIM-UHFFFAOYSA-N
norman_susdat_id: NS00086567
smiles: F[As-](F)(F)(F)(F)F.c1ccc(cc1)[S+](c2ccccc2)c3ccccc3
inchi:
InChI=1/C18H15S.AsF6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4,5,6)7/h1-15H;/q+1;-1


name: THC-d3
cas: 57904-08-2
chebiid: CHEBI:77273
chemspiderid: 97282
dtxsid: DTXSID20204907
formula: C21H28O4
inchikey: YOVRGSHRZRJTLZ-HZPDHXFCSA-N
norman_susdat_id: NS00101033
pubchem_cid: 108207
smiles: CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C(=O)O)(C)C)O
inchi:
InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1


name: Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone, 2,9-dimethyl-
cas: 5791-64-0
chemspiderid: 72147
dtxsid: DTXSID4064004
formula: C22H14N2O4
inchikey: NRJPXRSODWVILF-UHFFFAOYSA-N
norman_susdat_id: NS00033809
pubchem_cid: 79855
smiles: Cc1cc2c([nH]c3c(c(=O)c4c(c3=O)c(=O)c3c([nH]4)ccc(C)c3)c2=O)cc1
inchi:
InChI=1S/C22H14N2O4/c1-9-3-5-13-11(7-9)19(25)15-17(23-13)22(28)16-18(21(15)27)24-14-6-4-10(2)8-12(14)20(16)26/h3-8H,1-2H3,(H,23,25)(H,24,26)


name: (Perfluoropropyl)-2-(2-phenylhydrazinylidene)ethanal phenylhydrazone
cas: 57912-15-9
dtxsid: DTXSID30897041
formula: C17H13F7N4
inchikey: CZTGVODYAZOEDE-WSMRIQNJSA-N
norman_susdat_id: NS00110148
smiles: FC(F)(F)C(F)(F)C(F)(F)C(C=NNC1=CC=CC=C1)=NNC1=CC=CC=C1
inchi:
InChI=1S/C17H13F7N4/c18-15(19,16(20,21)17(22,23)24)14(28-27-13-9-5-2-6-10-13)11-25-26-12-7-3-1-4-8-12/h1-11,26-27H/b25-11+,28-14+


name: N,S-dibenzyloxycarbonyl-L-cysteine
cas: 57912-35-3
formula: C19H19NO6S
inchikey: PXKPRICKEUGRRR-INIZCTEOSA-N
norman_susdat_id: NS00053645
pubchem_cid: 7021869
smiles: O=C(OCC=1C=CC=CC1)SCC(NC(=O)OCC=2C=CC=CC2)C(=O)O
inchi:
InChI=1/C19H19NO6S/c21-17(22)16(20-18(23)25-11-14-7-3-1-4-8-14)13-27-19(24)26-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,23)(H,21,22)


cas: 57913-80-1
norman_susdat_id: NS00113556
name:
2-Propenenitrile, polymer with ethenylbenzene and methyloxirane polymer with oxirane ether with 1,2,3-propanetriol (3:1)


cas: 57918-22-6
formula: C29H28F3NO11
inchikey: VOASREXNXKOKBP-VMPUWYRSSA-N
norman_susdat_id: NS00054470
pubchem_cid: 11814185
smiles: O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)C)CC4OC5OC(C)C(O)C(NC(=O)C(F)(F)F)C5
name:
(8S-cis)-8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-a-L-arabino-hexopyranosyl]oxy]naphthacene-5,12-dione

inchi:
InChI=1/C29H28F3NO11/c1-10-22(35)14(33-27(40)29(30,31)32)7-17(43-10)44-16-9-28(41,11(2)34)8-13-19(16)26(39)21-20(24(13)37)23(36)12-5-4-6-15(42-3)18(12)25(21)38/h4-6,10,14,16-17,22,35,37,39,41H,7-9H2,1-3H3,(H,33,40)


name: Calcium bis(2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl) distearate
cas: 5793-94-2
formula: C24H44O6.1/2Ca
inchikey: OEUVSBXAMBLPES-UHFFFAOYSA-L
norman_susdat_id: NS00082693
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O[Ca]OC(=O)C(C)OC(=O)C(C)OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C24H44O6.Ca/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2


name: Potassium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino](4-hydroxyphenyl)acetate
cas: 57938-86-0
formula: C14H17NO5
inchikey: KCIVNTJLAYJMEK-BTQNPOSSSA-M
norman_susdat_id: NS00053587
pubchem_cid: 73013057
smiles: [K+].O=C(OCC)C=C(NC(C(=O)[O-])C1=CC=C(O)C=C1)C
inchi:
InChI=1/C14H17NO5.K/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1


name: Phenethyl nonanoate
cas: 57943-67-6
chemspiderid: 84748
dtxsid: DTXSID60206647
formula: C17H26O2
inchikey: AFBMLGHBGGLHOF-UHFFFAOYSA-N
norman_susdat_id: NS00033817
pubchem_cid: 93896
smiles: CCCCCCCCC(=O)OCCc1ccccc1
inchi:
InChI=1S/C17H26O2/c1-2-3-4-5-6-10-13-17(18)19-15-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3


name: Benzenamine, 4-[[2,5-dimethoxy-4-[(4-nitrophenyl)azo]phenyl]azo]-N,N-diethyl-
cas: 57943-75-6
chemspiderid: 84749
dtxsid: DTXSID4069212
formula: C24H26N6O4
inchikey: QWXWAOYTVHNDMA-UHFFFAOYSA-N
norman_susdat_id: NS00033818
pubchem_cid: 93897
smiles: CCN(CC)c1ccc(cc1)N=Nc1cc(OC)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H26N6O4/c1-5-29(6-2)19-11-7-17(8-12-19)25-27-21-15-24(34-4)22(16-23(21)33-3)28-26-18-9-13-20(14-10-18)30(31)32/h7-16H,5-6H2,1-4H3/b27-25+,28-26+


name: Officinalisnin I
cas: 57944-18-0
chebiid: CHEBI:7730
chemspiderid: 441889
formula: C45H76O19
inchikey: SORUXVRKWOHYEO-YGNOLRTQSA-N
norman_susdat_id: NS00094585
pubchem_cid: 390465
smiles:
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O


name: Bis(2-hydroxy-3-decyloxypropyl)dimethylammonium chloride
cas: 57945-70-7
dtxsid: DTXSID20973520
formula: C28H60NO4
inchikey: NKDCGCAEPRFSGN-UHFFFAOYSA-M
norman_susdat_id: NS00053666
pubchem_cid: 3017088
smiles: [Cl-].OC(COCCCCCCCCCC)C[N+](C)(C)CC(O)COCCCCCCCCCC
inchi:
InChI=1/C28H60NO4.ClH/c1-5-7-9-11-13-15-17-19-21-32-25-27(30)23-29(3,4)24-28(31)26-33-22-20-18-16-14-12-10-8-6-2;/h27-28,30-31H,5-26H2,1-4H3;1H/q+1;/p-1


name: Orvepitant
cas: 579475-18-6
dtxsid: DTXSID40973522
formula: C31H35F7N4O2
inchikey: XWNBGDJPEXZSQM-VZOBGQTKSA-N
norman_susdat_id: NS00072778
pubchem_cid: 9852175
smiles: Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
inchi:
InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1


name: Propyl 2-{4-[(diethylcarbamoyl)methoxy]-3-ethoxyphenyl}acetate
cas: 579494-66-9
formula: C19H29NO5
inchikey: QPUVKSKJCNGSGT-UHFFFAOYSA-N
norman_susdat_id: NS00072272
pubchem_cid: 10286834
smiles: CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OCC)c1
inchi:
InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3


name: Ethyl N-(3-ethoxy-3-oxopropyl)-N-(2-phenylethyl)-ß-alaninate
cas: 57958-47-1
formula: C18H27NO4
inchikey: NSGQKWOLICRDEV-UHFFFAOYSA-N
norman_susdat_id: NS00054473
pubchem_cid: 2724140
smiles: O=C(OCC)CCN(CCC(=O)OCC)CCC=1C=CC=CC1
inchi:
InChI=1/C18H27NO4/c1-3-22-17(20)11-14-19(15-12-18(21)23-4-2)13-10-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3


name: Acequinocyl
cas: 57960-19-7
chebiid: CHEBI:38592
chemspiderid: 84245
dtxsid: DTXSID8034297
formula: C24H32O4
inchikey: QDRXWCAVUNHOGA-UHFFFAOYSA-N
norman_susdat_id: NS00002253
pubchem_cid: 93315
smiles: CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3


name: 3,3''-thiobis[4',5-bis(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol]
cas: 57964-01-9
dtxsid: DTXSID4069214
formula: C40H50O2S
inchikey: QDJMQWBEOMKJKL-UHFFFAOYSA-N
norman_susdat_id: NS00053144
pubchem_cid: 93903
smiles: OC=1C(SC2=CC(=CC(=C2O)C(C)(C)C)C3=CC=C(C=C3)C(C)(C)C)=CC(=CC1C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C
inchi:
InChI=1/C40H50O2S/c1-37(2,3)29-17-13-25(14-18-29)27-21-31(39(7,8)9)35(41)33(23-27)43-34-24-28(22-32(36(34)42)40(10,11)12)26-15-19-30(20-16-26)38(4,5)6/h13-24,41-42H,1-12H3


cas: 57972-00-6
chemspiderid: 21229985
dtxsid: DTXSID3067948
formula: C40H23Cl3N8O8
inchikey: IDISPOJSCQQBFF-UHFFFAOYSA-N
norman_susdat_id: NS00021225
pubchem_cid: NA
name:
2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-

inchi:
InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,52-53H,(H,44,54)(H,45,55)/b48-46+,49-47+

smiles:
c1ccc2c(c1)cc(c(c2N=Nc3ccc(cc3[N+](=O)[O-])Cl)O)C(=O)Nc4ccc(c(c4)Cl)NC(=O)c5cc6ccccc6c(c5O)N=Nc7ccc(cc7[N+](=O)[O-])Cl


name: Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-L-alaninate
cas: 57973-67-8
formula: C19H19ClFNO3
inchikey: IKVXBIIHQGXQRQ-ZDUSSCGKSA-N
norman_susdat_id: NS00086651
smiles: CC(C)OC(=O)[C@H](C)N(C(=O)c1ccccc1)c2ccc(F)c(Cl)c2
inchi:
InChI=1/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3


name: Bismuth potassium tartrate
cas: 5798-41-4
formula: C4H6O6.Bi.K
inchikey: IPTCTNIQHWYBTN-UHFFFAOYSA-L
norman_susdat_id: NS00082695
smiles: [K+].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C4H6O6.Bi.K.3H/c5-1(3(7)8)2(6)4(9)10;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;;;/q;+3;+1;;;/p-2/rC4H6O6.BiH3.K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);1H3;/q;+3;+1/p-2


name: Bismuth valerate, basic
cas: 5798-47-0
formula: C5H9BiO3
inchikey: WFACHQTYGFHAFC-UHFFFAOYSA-K
norman_susdat_id: NS00082696
smiles: [BiH3+3].CCCCC(=O)[O-].CCCCC(=O)[O-].CCCCC(=O)[O-]
inchi:
InChI=1/3C5H10O2.Bi.3H/c3*1-2-3-4-5(6)7;;;;/h3*2-4H2,1H3,(H,6,7);;;;/q;;;+3;;;/p-3/r3C5H10O2.BiH3/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);1H3/q;;;+3/p-3


name: Buserelin
cas: 57982-77-1
formula: C60H86N16O13
inchikey: CUWODFFVMXJOKD-UHFFFAOYSA-N
norman_susdat_id: NS00086652
inchi:
InChI=1/C60H86N16O13/c1-7-64-57(87)48-15-11-23-76(48)58(88)41(14-10-22-65-59(61)62)69-51(81)42(24-33(2)3)70-56(86)47(31-89-60(4,5)6)75-52(82)43(25-34-16-18-37(78)19-17-34)71-55(85)46(30-77)74-53(83)44(26-35-28-66-39-13-9-8-12-38(35)39)72-54(84)45(27-36-29-63-32-67-36)73-50(80)40-20-21-49(79)68-40/h8-9,12-13,16-19,28-29,32-33,40-48,66,77-78H,7,10-11,14-15,20-27,30-31H2,1-6H3,(H,63,67)(H,64,87)(H,68,79)(H,69,81)(H,70,86)(H,71,85)(H,72,84)(H,73,80)(H,74,83)(H,75,82)(H4,61,62,65)

smiles:
CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6


name: Budipine
cas: 57982-78-2
chebiid: CHEBI:135228
chemspiderid: 62021
dtxsid: DTXSID20206709
formula: C21H27N1
inchikey: QIHLUZAFSSMXHQ-UHFFFAOYSA-N
norman_susdat_id: NS00014323
pubchem_cid: 68778
smiles: CC(C)(C)N1CCC(CC1)(c2ccccc2)c3ccccc3
inchi:
InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3


name: Apomorphine
cas: 58-00-4
chebiid: CHEBI:93852
chemspiderid: 2129
dtxsid: DTXSID8022614
formula: C17H17N1O2
inchikey: VMWNQDUVQKEIOC-UHFFFAOYSA-N
norman_susdat_id: NS00007447
pubchem_cid: 2215
smiles: CN1CCc2cccc-3c2C1Cc1ccc(O)c(O)c-31
inchi:
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3


name: 5-formyltetrahydrofolic acid
cas: 58-05-9
formula: C20H23N7O7
inchikey: VVIAGPKUTFNRDU-UHFFFAOYSA-N
norman_susdat_id: NS00078949
smiles: NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2C=O)N1
inchi:
InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)


name: S-[2-(diethylamino)ethyl] diphenyldithiocarbamate monohydrochloride
cas: 58-13-9
dtxsid: DTXSID40973567
formula: C19H24N2S2
inchikey: WTIAYALDQWTBRI-UHFFFAOYSA-N
norman_susdat_id: NS00041192
pubchem_cid: 23616139
smiles: Cl.S=C(SCCN(CC)CC)N(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C19H24N2S2.ClH/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,3-4,15-16H2,1-2H3;1H


name: 17-Methyltestosterone
cas: 58-18-4
chebiid: CHEBI:27436
chemspiderid: 5788
dtxsid: DTXSID1033664
formula: C20H30O2
inchikey: GCKMFJBGXUYNAG-HLXURNFRSA-N
norman_susdat_id: NS00010270
pubchem_cid: 6010
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1


name: Dromostanolone
cas: 58-19-5
chebiid: CHEBI:34838
chemspiderid: 5789
dtxsid: DTXSID6022971
formula: C20H32O2
inchikey: IKXILDNPCZPPRV-RFMGOVQKSA-N
norman_susdat_id: NS00033880
pubchem_cid: 6011
smiles: C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)CC1=O
inchi:
InChI=1S/C20H32O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h12-16,18,22H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20+/m1/s1


name: Testosterone cypionate
cas: 58-20-8
chebiid: CHEBI:9463
chemspiderid: 390140
formula: C27H40O3
inchikey: HPFVBGJFAYZEBE-ZLQWOROUSA-N
norman_susdat_id: NS00015423
pubchem_cid: 441404
smiles: CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C
inchi:
InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1


name: Testosterone
cas: 58-22-0
chebiid: CHEBI:17347
dtxsid: DTXSID8022371
formula: C19H28O2
inchikey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
norman_susdat_id: NS00067928
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1


name: Chlordiazepoxide
cas: 58-25-3
chebiid: CHEBI:3611
chemspiderid: 10248513
dtxsid: DTXSID4046022
formula: C16H14Cl1N3O1
inchikey: ANTSCNMPPGJYLG-UHFFFAOYSA-N
norman_susdat_id: NS00000042
pubchem_cid: NA
smiles: C/N=C1/C[N+](=C(c2cc(ccc2N1)Cl)c3ccccc3)[O-]
inchi:
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)


name: Desipramine hydrochloride
cas: 58-28-6
chebiid: CHEBI:4449
formula: C18H22N2.ClH
inchikey: XAEWZDYWZHIUCT-UHFFFAOYSA-N
norman_susdat_id: NS00079001
smiles: Cl.CNCCCN1c2ccccc2CCc3ccccc13
inchi:
InChI=1/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H


name: Dipyridamole
cas: 58-32-2
chebiid: CHEBI:4653
chemspiderid: 2997
dtxsid: DTXSID6040668
formula: C24H40N8O4
inchikey: IZEKFCXSFNUWAM-UHFFFAOYSA-N
norman_susdat_id: NS00010369
pubchem_cid: 3108
smiles: C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO
inchi:
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2


