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In-stock-Screening-Compound-Database

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SMILES SMILES_CANONICAL MOLPORTID
COC1=C(O)C=CC(=C1)C(C)=O COc1cc(ccc1O)C(C)=O Molport-000-000-274
C=CCOC1=C(C=O)C=CC=C1 C=CCOc1ccccc1C=O Molport-000-000-277
OC1=C(C=O)C=CC=C1CC=C Oc1c(CC=C)cccc1C=O Molport-000-000-278
NC1=NC=C(Br)N=C1 Nc1cnc(Br)cn1 Molport-000-000-280
NC1CCCCC1C(O)=O NC1CCCCC1C(O)=O Molport-000-000-282
NC1=C(N=CC=C1)C(O)=O Nc1cccnc1C(O)=O Molport-000-000-285
CC(C)(C)OC(=O)N1CCCC(N)C1 CC(C)(C)OC(=O)N1CCCC(N)C1 Molport-000-000-289
CC(C)(C)OC(=O)N1CCC(N)CC1 CC(C)(C)OC(=O)N1CCC(N)CC1 Molport-000-000-290
NC1(CCCCCC1)C(O)=O NC1(CCCCCC1)C(O)=O Molport-000-000-293
NC1(CCCC1)C(O)=O NC1(CCCC1)C(O)=O Molport-000-000-295
Cl.CC(C)(CCN)C(O)=O Cl.CC(C)(CCN)C(O)=O Molport-000-000-298
NC1=CC(=O)CCC1 NC1=CC(=O)CCC1 Molport-000-000-303
NC1=C(SC=C1)C(O)=O Nc1ccsc1C(O)=O Molport-000-000-305
Cl.CCOC(=O)CC(N)=N Cl.CCOC(=O)CC(N)=N Molport-000-000-307
CCOC(=O)C1=C(N)ON=C1 CCOC(=O)c1cnoc1N Molport-000-000-315
CC1=CC=C(C=C1N)S(N)(=O)=O Cc1ccc(cc1N)S(N)(=O)=O Molport-000-000-316
NC1N=C(C2=CC=CC=C2)C2=CC=CC=C2NC1=O NC1N=C(c2ccccc2)c2ccccc2NC1=O Molport-000-000-319
NC1=C2C=CC(Cl)=CC2=NC=C1 Nc1ccnc2cc(Cl)ccc12 Molport-000-000-321
Cl.COC(=O)C1(N)CCC1 Cl.COC(=O)C1(N)CCC1 Molport-000-000-324
NCCCCCCCCCC(O)=O NCCCCCCCCCC(O)=O Molport-000-000-330
CC(C)(C)OC(=O)N1CCCCC1CCN CC(C)(C)OC(=O)N1CCCCC1CCN Molport-000-000-331
NCCC1=CN=CC=C1 NCCc1cccnc1 Molport-000-000-332
NCCC1=CC=NC=C1 NCCc1ccncc1 Molport-000-000-333
NC(=O)C1=C(N)N=CN1 NC(=O)c1[nH]cnc1N Molport-000-000-334
Cl.NCC1=CC=CC(=C1)C(O)=O Cl.NCc1cccc(c1)C(O)=O Molport-000-000-337
CC(C)(C)OC(=O)N1CCCCC1CN CC(C)(C)OC(=O)N1CCCCC1CN Molport-000-000-338
CC(C)(C)OC(=O)N1CCCC(CN)C1 CC(C)(C)OC(=O)N1CCCC(CN)C1 Molport-000-000-339
CC(C)(C)OC(=O)N1CCC(CN)CC1 CC(C)(C)OC(=O)N1CCC(CN)CC1 Molport-000-000-340
CC(C)(C)OC(=O)N1CCCC1CN CC(C)(C)OC(=O)N1CCCC1CN Molport-000-000-341
NCCCCCCCCC(O)=O NCCCCCCCCC(O)=O Molport-000-000-344
NC1=CC=CC(=C1)S(F)(F)(F)(F)F Nc1cccc(c1)S(F)(F)(F)(F)F Molport-000-000-348
NC1=NC=CN=C1 Nc1cnccn1 Molport-000-000-352
NC1=C2C=CC=CC2=NC=C1 Nc1ccnc2ccccc12 Molport-000-000-353
NC1=NN=NN1 Nc1nnn[nH]1 Molport-000-000-354
N[C@H](CO)CC(O)=O N[C@H](CO)CC(O)=O Molport-000-000-357
CCOC(OCC)C=C CCOC(OCC)C=C Molport-000-000-360
Cl.NCC1=NC=CN=C1Cl Cl.NCc1nccnc1Cl Molport-000-000-361
CC1=CC=CC(CCN)=N1 Cc1cccc(CCN)n1 Molport-000-000-368
Cl.Cl.N[C@@H]1CCCNC1 Cl.Cl.N[C@@H]1CCCNC1 Molport-000-000-370
Cl.Cl.N[C@H]1CCCNC1 Cl.Cl.N[C@H]1CCCNC1 Molport-000-000-371
CC(C)(C)OC(=O)N1CC(N)CC2=CC=CC=C12 CC(C)(C)OC(=O)N1CC(N)Cc2ccccc12 Molport-000-000-378
CC(C)(C)OC(=O)N1CCCC(CCN)C1 CC(C)(C)OC(=O)N1CCCC(CCN)C1 Molport-000-000-379
CC(C)(C)OC(=O)N1CCC(CCN)CC1 CC(C)(C)OC(=O)N1CCC(CCN)CC1 Molport-000-000-380
NC1=C(C=C(C=N1)C#N)C#N Nc1ncc(cc1C#N)C#N Molport-000-000-381
CC1=CC=CN=C1CN Cc1cccnc1CN Molport-000-000-388
Cl.Cl.CC1=C(CN)C=CN=C1 Cl.Cl.Cc1cnccc1CN Molport-000-000-389
NCC1=CC2=CC=CN=C2C=C1 NCc1ccc2ncccc2c1 Molport-000-000-390
CC(C)(C)OC(=O)N1CCC(C1)C(N)=O CC(C)(C)OC(=O)N1CCC(C1)C(N)=O Molport-000-000-392
CC(C)(C)OC(=O)N1CCC(CN)C1 CC(C)(C)OC(=O)N1CCC(CN)C1 Molport-000-000-396
NC1=C(CNCC1)C#N NC1=C(CNCC1)C#N Molport-000-000-398
Cl.CC(N)=N Cl.CC(N)=N Molport-000-000-404
NC(C(O)=O)C1=CC=C2OCCOC2=C1 NC(C(O)=O)c1ccc2OCCOc2c1 Molport-000-000-405
NC(C(O)=O)C1=CNC2=CC=CC=C12 NC(C(O)=O)c1c[nH]c2ccccc12 Molport-000-000-407
NC(C(O)=O)C1=CC=CO1 NC(C(O)=O)c1ccco1 Molport-000-000-409
NC(C(O)=O)C1=CC=CN=C1 NC(C(O)=O)c1cccnc1 Molport-000-000-411
NC(C(O)=O)C1=CC=C2C=CC=CC2=C1 NC(C(O)=O)c1ccc2ccccc2c1 Molport-000-000-413
NC(C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1 NC(C(O)=O)c1ccc(cc1)-c1ccccc1 Molport-000-000-414
NC(C(O)=O)C1=CC=C(F)C=C1 NC(C(O)=O)c1ccc(F)cc1 Molport-000-000-418
NC(C(O)=O)C1=CC=C(C=C1)C(F)(F)F NC(C(O)=O)c1ccc(cc1)C(F)(F)F Molport-000-000-419
NC(C(O)=O)C1=CC(=CC=C1)[N+]([O-])=O NC(C(O)=O)c1cccc(c1)[N+]([O-])=O Molport-000-000-420
NC(C(O)=O)C1=CC(F)=CC=C1 NC(C(O)=O)c1cccc(F)c1 Molport-000-000-421
COC1=C(C=CC=C1)C(N)C(O)=O COc1ccccc1C(N)C(O)=O Molport-000-000-422
NC(C(O)=O)C1=C(Cl)C=CC=C1 NC(C(O)=O)c1ccccc1Cl Molport-000-000-423
NC(C(O)=O)C1=C(F)C=CC=C1 NC(C(O)=O)c1ccccc1F Molport-000-000-424
NC(C1CCCCC1)C(O)=O NC(C1CCCCC1)C(O)=O Molport-000-000-428
Cl.NC(=N)C12CC3CC(CC(C3)C1)C2 Cl.NC(=N)C12CC3CC(CC(C3)C1)C2 Molport-000-000-431
CC(C)(C)OC(=O)N1CCCCCC1C(O)=O CC(C)(C)OC(=O)N1CCCCCC1C(O)=O Molport-000-000-432
NC(C(O)=O)C1=CC(=CC=C1)C(F)(F)F NC(C(O)=O)c1cccc(c1)C(F)(F)F Molport-000-000-437
COC(=O)C1=CC(Br)=C(N)C=C1 COC(=O)c1ccc(N)c(Br)c1 Molport-000-000-445
CC(=O)C1=CC(Br)=C(N)C=C1 CC(=O)c1ccc(N)c(Br)c1 Molport-000-000-447
NC1=C(C=C(Br)C=C1)C#N Nc1ccc(Br)cc1C#N Molport-000-000-448
CCOC(=O)C1=C(N)C=CC(Br)=C1 CCOC(=O)c1cc(Br)ccc1N Molport-000-000-449
CC(=O)C1=CC(Cl)=C(N)C=C1 CC(=O)c1ccc(N)c(Cl)c1 Molport-000-000-450
NC1=C(C=C(Cl)C=C1)C#N Nc1ccc(Cl)cc1C#N Molport-000-000-451
COC(=O)C1=C(N)C=CC(Cl)=C1 COC(=O)c1cc(Cl)ccc1N Molport-000-000-452
CC(=O)C1=C(C)N=C(N)S1 CC(=O)c1sc(N)nc1C Molport-000-000-453
CC(C)(C)OC(=O)N[C@H]1CC[C@H](N)CC1 CC(C)(C)OC(=O)N[C@H]1CC[C@H](N)CC1 Molport-000-000-454
NC(C(O)=O)C1=CC=C(Cl)C=C1 NC(C(O)=O)c1ccc(Cl)cc1 Molport-000-000-455
NC(C(O)=O)C1=CC(Cl)=CC=C1 NC(C(O)=O)c1cccc(Cl)c1 Molport-000-000-456
COC1=CC=CC(=C1)C(N)C(O)=O COc1cccc(c1)C(N)C(O)=O Molport-000-000-457
NC1=NC=CC(CO)=C1 Nc1cc(CO)ccn1 Molport-000-000-458
CC(C)(C)OC(=O)N1CCOC(CN)C1 CC(C)(C)OC(=O)N1CCOC(CN)C1 Molport-000-000-459
NC1=CC=CN=C1Cl Nc1cccnc1Cl Molport-000-000-460
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1 CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1 Molport-000-000-462
NC1=C(C=CN=C1)C(O)=O Nc1cnccc1C(O)=O Molport-000-000-464
CC(C)(C)OC(=O)N1CC(N)C1 CC(C)(C)OC(=O)N1CC(N)C1 Molport-000-000-466
CC(C)(C)OC(=O)N1CC[C@@H](N)C1 CC(C)(C)OC(=O)N1CC[C@@H](N)C1 Molport-000-000-470
CC(C)(C)OC(=O)N1CCC[C@H]1CN CC(C)(C)OC(=O)N1CCC[C@H]1CN Molport-000-000-471
CC(C)(C)OC(=O)N1CC[C@H](N)C1 CC(C)(C)OC(=O)N1CC[C@H](N)C1 Molport-000-000-474
N[C@H](C(O)=O)C1=C(Cl)C=CC=C1 N[C@H](C(O)=O)c1ccccc1Cl Molport-000-000-495
N[C@@H](C1CCCCC1)C(O)=O N[C@@H](C1CCCCC1)C(O)=O Molport-000-000-500
N[C@@H](C1CC1)C(O)=O N[C@@H](C1CC1)C(O)=O Molport-000-000-501
NC1=CC2=NC=CN=C2C=C1 Nc1ccc2nccnc2c1 Molport-000-000-504
CC(=O)N1CCC[C@H]1C(O)=O CC(=O)N1CCC[C@H]1C(O)=O Molport-000-000-506
Cl.NCCCN1C(=O)C2=CC=CC=C2C1=O Cl.NCCCN1C(=O)c2ccccc2C1=O Molport-000-000-509
NC1C2CCC(C2)C1C(O)=O NC1C2CCC(C2)C1C(O)=O Molport-000-000-514
NC1=NC=CN=C1C(O)=O Nc1nccnc1C(O)=O Molport-000-000-515
NC(C1CCC1)(C(O)=O)C1=CC=CC=C1 NC(C1CCC1)(C(O)=O)c1ccccc1 Molport-000-000-520
CC(N)(C(O)=O)C1=CC=CC=C1 CC(N)(C(O)=O)c1ccccc1 Molport-000-000-522
End of preview. Expand in Data Studio

Molport In-Stock Screening Compounds Database

The Molport In-Stock Screening Compounds Database contains SMILES strings and Molport IDs for over 5.2 million screening compounds that are currently available for purchase. These compounds represent a diverse collection of molecules intended for high-throughput screening, hit discovery, and medicinal chemistry research.

Contents

  • SMILES – The molecular structure in SMILES notation.
  • SMILES_CANONICAL – Canonicalized SMILES representation.
  • MOLPORTID – Unique Molport identifier for each compound.

Scope

This dataset includes:

Update Frequency

  • Files are updated on a monthly basis to reflect the latest in-stock availability.

Accessing Molport Data

Molport data can be accessed through multiple options depending on your workflow:

  • Direct file downloads – ready-to-use files available for immediate use.
  • FTP access – ideal for bulk downloads and automated synchronization.
  • Molport API – programmatic access for integration into cheminformatics pipelines and applications.

Learn more here: Molport Database Access Options

Additional Pre-Filtered Libraries

In addition to the full in-stock datasets, Molport provides more than 18 pre-filtered libraries tailored for specific research applications, including:

  • Drug-Like Compounds Library
  • Diversity Library
  • Kinase Library
  • GPCR Library
  • Natural Product Library
  • Known Drugs and Clinical Candidates Library
  • DEL Reagents Library

Explore the full selection: Molport Compound Libraries

Licensing

  • Licensed under CC BY-NC 4.0 — you may use this dataset for internal, non-commercial purposes with attribution to Molport.
  • Commercial resale, redistribution, or inclusion in commercial offerings is prohibited.
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Size of downloaded dataset files:
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Number of rows:
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