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基于 PubChem CID 索引，支持名称 / 同义词 / CAS / SMILES 检索。
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1-[6-amino-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]hexanoyl]pyrrolidine-2-carboxylic acid CAS 76547-98-3 PubChem CID 3937
NCCCCC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CCCC1C(=O)O -
3-(2,5-Difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4-triazol-1-yl)butanenitrile (Mixture of Diastereomers) CAS 241479-74-3 PubChem CID 21937659
CC(C#N)C(O)(Cn1cncn1)c1cc(F)ccc1F -
rac-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (9Z)-octadec-9-enoate PubChem CID 71728411
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCC -
COC(=O)C(c1ccccc1)C1CCCCN1.Cl -
Cyclopenta(c)(1)benzopyran-8-ol, 1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aS,4R,9bR)- CAS 533884-09-2 PubChem CID 10286159
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1 -
6-Bromo-2,7-trichloro-3-(bromomethyl)-7-methyl-1-octene,(mixture of diastereoisomers) CAS 142439-86-9 PubChem CID 3558
C=C(Cl)C(Cl)(CBr)CCC(Br)C(C)(C)Cl -
2-[4-[2-(Acetylamino)-3-oxo-3-(pentylamino)propyl]-1-naphthyl(1,2-dioxo-2-hydroxyethyl)amino]benzoic acid PubChem CID 4470793
CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)c2ccccc12)NC(C)=O -
(3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid hydrochloride CAS 145821-59-6 PubChem CID 22058231
Cc1ccsc1C(=CCCN1CCCC(C(=O)O)C1)c1sccc1C.Cl -
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,8,10,12-hexaen-2-yl]oxane-2-carboxylic acid CAS 186792-80-3 PubChem CID 91810636
Cc1cc2c(s1)N([C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1N=C2N1CCN(C)CC1 -
C=C(Cl)CNC1CCc2ccccc21 -
Tetrabenazine (3r,11br)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2h-benzo[a]quinolizin-2-one CAS 58-46-8 PubChem CID 6018
COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2 -
NC1CCCCNC1=O -
(2S)-2-amino-3-[4-[bis(2-chloro-1,1,2,2-tetradeuterioethyl)amino]phenyl]propanoic acid;hydrochloride CAS 1465-26-5 PubChem CID 12312742
Cl.NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O -
Dodecanoic acid, 1,1'-[(1S)-1-(hydroxymethyl)-1,2-ethanediyl] ester CAS 17598-94-6 PubChem CID 33979
CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC -
D-Tryptophan (2E)-2-(6-quinoxalinylmethylene)hydrazide Hydrochloride; D-Tryptophan (2E)-2-(6-quinoxalinylmethylene)hydrazide Hydrochloride (1:1) CAS 1281870-42-5 PubChem CID 52998412
Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc2nccnc2c1 -
rac-3-hydroxy-2-[(9Z)-octadec-9-enoyloxy]propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate PubChem CID 71728393
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC -
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 -
Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-(4-hydroxyphenoxy)phenyl)methyl ester CAS 64691-63-0 PubChem CID 182438
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccc(O)cc2)c1 -
4, 5-trans -5-amino-1-(2-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(2, 4, 5-trifluorophenyl)piperidin-2-one PubChem CID 16040279
N[C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F -
NC(=O)NC1NC(=O)NC1=O