Binding 10μM Binding 1μM Functional 10μM ADME/T 10μM
| Name (Code) | Description | Organism Class | Size | Browse | Download (Annotations) |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium falciparum (cluster #3 of 22) | Other | 22 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-2-O | L1210 (Lymphocytic leukemia cells) (cluster #2 of 12) | Other | 15 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50597-1-O | Rattus norvegicus (cluster #1 of 12) | Other | 13 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50592-3-O | Oryctolagus cuniculus (cluster #3 of 8) | Other | 12 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SC6A4-1-E | Serotonin transporter (cluster #1 of 1) | Eukaryotes | 11 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q9WTR4-1-E | Norepinephrine transporter (cluster #1 of 2) | Eukaryotes | 10 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-1-O | A549 (Lung carcinoma cells) (cluster #1 of 11) | Other | 10 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80156-2-O | HL-60 (Promyeloblast leukemia cells) (cluster #2 of 12) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80166-1-O | HT-29 (Colon adenocarcinoma cells) (cluster #1 of 12) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80224-1-O | MCF7 (Breast carcinoma cells) (cluster #1 of 14) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81115-2-O | KB (Squamous cell carcinoma) (cluster #2 of 6) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81247-1-O | HeLa (Cervical adenocarcinoma cells) (cluster #1 of 9) | Other | 8 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80125-1-O | DU-145 (Prostate carcinoma) (cluster #1 of 9) | Other | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-1-O | K562 (Erythroleukemia cells) (cluster #1 of 11) | Other | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81170-1-O | LNCaP (Prostate carcinoma) (cluster #1 of 5) | Other | 7 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50512-1-O | Cavia porcellus (cluster #1 of 7) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50587-1-O | Homo sapiens (cluster #1 of 9) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80390-1-O | PC-3 (Prostate carcinoma cells) (cluster #1 of 10) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80874-1-O | CEM (T-cell leukemia) (cluster #1 of 7) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-1-O | HCT-116 (Colon carcinoma cells) (cluster #1 of 9) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81017-1-O | WiDr (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81024-1-O | NCI-H460 (Non-small cell lung carcinoma) (cluster #1 of 8) | Other | 6 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AGTR1-1-E | Angiotensin II type 1a (AT-1a) receptor (cluster #1 of 1) | Eukaryotes | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50466-1-O | Trypanosoma cruzi (cluster #1 of 8) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80362-1-O | P388 (Lymphoma cells) (cluster #1 of 8) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80526-1-O | SW480 (Colon adenocarcinoma cells) (cluster #1 of 6) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-2-O | HepG2 (Hepatoblastoma cells) (cluster #2 of 8) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81335-1-O | HCT-15 (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 5 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1C-1-E | Voltage-gated L-type calcium channel alpha-1C subunit (cluster #1 of 1) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1D-1-E | Voltage-gated L-type calcium channel alpha-1D subunit (cluster #1 of 1) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PPARA-1-E | Peroxisome proliferator-activated receptor alpha (cluster #1 of 2) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TAAR1-1-E | Trace amine-associated receptor 1 (cluster #1 of 2) | Eukaryotes | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50212-1-O | Escherichia coli (cluster #1 of 7) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50590-1-O | Sus scrofa (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50594-1-O | Mus musculus (cluster #1 of 9) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80064-1-O | CCRF-CEM (T-cell leukemia) (cluster #1 of 9) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80099-1-O | COLO 205 (Colon adenocarcinoma cells) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80106-1-O | COS-1 (Kidney cells) (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80188-1-O | KB 3-1 (Cervical epithelial carcinoma cells) (cluster #1 of 2) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80211-1-O | LoVo (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80457-1-O | SCC-25 (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80475-1-O | SK-BR-3 (Breast adenocarcinoma) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80482-2-O | SK-MEL-2 (Melanoma cells) (cluster #2 of 4) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80563-1-O | U-373 MG ( Glioblastoma cells) (cluster #1 of 1) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80697-1-O | Bel-7402 (Hepatoma cells) (cluster #1 of 3) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80712-2-O | T47D (Breast carcinoma cells) (cluster #2 of 7) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-7-O | HepG2 (Hepatoblastoma cells) (cluster #7 of 8) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81034-1-O | A2780 (Ovarian carcinoma cells) (cluster #1 of 10) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81184-1-O | LOX IMVI (Melanoma cells) (cluster #1 of 5) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81252-3-O | MDA-MB-231 (Breast adenocarcinoma cells) (cluster #3 of 11) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81331-1-O | SW-620 (Colon adenocarcinoma cells) (cluster #1 of 6) | Other | 4 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AGTR2-1-E | Angiotensin II type 2 (AT-2) receptor (cluster #1 of 1) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| KCNH2-1-E | HERG (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PGH1-2-E | Cyclooxygenase-1 (cluster #2 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PGH2-1-E | Cyclooxygenase-2 (cluster #1 of 1) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PPARG-1-E | Peroxisome proliferator-activated receptor gamma (cluster #1 of 2) | Eukaryotes | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104301-1-O | GABA-A receptor; anion channel (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50362-1-O | Lactobacillus casei (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50380-2-O | Mycobacterium smegmatis (cluster #2 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-11-O | Plasmodium falciparum (cluster #11 of 22) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50468-2-O | Giardia intestinalis (cluster #2 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50597-11-O | Rattus norvegicus (cluster #11 of 12) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50740-1-O | Cricetinae gen. sp. (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80019-1-O | A-427 (Lung carcinoma cells) (cluster #1 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80025-1-O | ACHN (Renal adenocarcinoma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80054-1-O | Caco-2 (Colon adenocarcinoma cells) (cluster #1 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80145-3-O | H69 (cluster #3 of 4) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80171-1-O | HuTu80 (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-4-O | K562 (Erythroleukemia cells) (cluster #4 of 11) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80269-1-O | MKN-45 (Gastric adenocarcinoma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80316-1-O | NCI-H128 (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80433-1-O | RPMI-8226 (Multiple myeloma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80459-1-O | SCC-7 (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80493-1-O | SK-OV-3 (Ovarian carcinoma cells) (cluster #1 of 6) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80561-1-O | U2OS (Osteosarcoma cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80565-1-O | U-87 MG (Glioblastoma cells) (cluster #1 of 2) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-1-O | Vero (Kidney cells) (cluster #1 of 7) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80640-1-O | 786-0 (Renal carcinoma cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80799-1-O | RPMI 8402 (Pre-T-lymphoblastoid cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80830-1-O | Ehrlich (Ehrlich ascites carcinoma cells) (cluster #1 of 1) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80847-1-O | FaDu (Pharyngeal carcinoma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81054-1-O | SF-268 (Glioblastoma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81072-1-O | Jurkat (Acute leukemic T-cells) (cluster #1 of 10) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81245-1-O | MDA-MB-435 (Breast carcinoma cells) (cluster #1 of 6) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81248-1-O | Malme-3M (Melanoma cells) (cluster #1 of 3) | Other | 3 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACES-1-E | Acetylcholinesterase (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACHA3-2-E | Neuronal acetylcholine receptor protein alpha-3 subunit (cluster #2 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACHB2-1-E | Neuronal acetylcholine receptor protein beta-2 subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACHB4-1-E | Neuronal acetylcholine receptor protein beta-4 subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ADRB1-1-E | Beta-1 adrenergic receptor (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AGTRB-1-E | Angiotensin II type 1b (AT-1b) receptor (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ANDR-3-E | Androgen Receptor (cluster #3 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ATP4A-1-E | Potassium-transporting ATPase alpha chain 1 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ATP4B-1-E | Potassium-transporting ATPase beta chain (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| BLAT-1-B | Beta-lactamase TEM (cluster #1 of 1) | Bacteria | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1E-1-E | Voltage-gated R-type calcium channel alpha-1E subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CAC1S-1-E | Voltage-gated L-type calcium channel alpha-1S subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CXCR1-1-E | Interleukin-8 receptor A (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CXCR2-1-E | C-X-C chemokine receptor type 2 (cluster #1 of 3) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DYR-1-B | Dihydrofolate reductase (cluster #1 of 1) | Bacteria | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HMDH-1-E | HMG-CoA reductase (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ITA5-1-E | Fibronectin receptor alpha (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MCR-2-E | Mineralocorticoid receptor (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MDR1-1-E | P-glycoprotein 1 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MDR3-1-E | P-glycoprotein 3 (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| P97706-1-E | Sodium channel protein type VI alpha subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PPARG-2-E | Peroxisome proliferator-activated receptor gamma (cluster #2 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PRGR-1-E | Progesterone receptor (cluster #1 of 2) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| RXRA-1-E | Retinoid X receptor alpha (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SC6A3-1-E | Dopamine transporter (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN5A-1-E | Sodium channel protein type V alpha subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SCN8A-1-E | Sodium channel protein type VIII alpha subunit (cluster #1 of 1) | Eukaryotes | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100733-1-O | CT26 (Colon carcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101865-1-O | Leishmania chagasi (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102121-2-O | Trichophyton mentagrophytes (cluster #2 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103203-1-O | A375 (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103204-2-O | A427 (cluster #2 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103205-1-O | A431 (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104282-1-O | Acetylcholine receptor; alpha1/beta1/delta/gamma (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104288-1-O | Neuronal acetylcholine receptor; alpha3/beta4 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50046-1-O | Trichophyton quinckeanum (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50185-3-O | Staphylococcus aureus (cluster #3 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50266-1-O | Enterococcus faecium (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50408-1-O | Issatchenkia orientalis (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50409-1-O | Kluyveromyces marxianus (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50422-3-O | Entamoeba histolytica (cluster #3 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-2-O | Plasmodium falciparum (cluster #2 of 22) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50442-1-O | Candida albicans (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50443-1-O | Candida glabrata (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50452-1-O | Trichophyton rubrum (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50457-1-O | Leishmania amazonensis (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50458-3-O | Leishmania braziliensis (cluster #3 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50460-3-O | Leishmania major (cluster #3 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50466-2-O | Trypanosoma cruzi (cluster #2 of 8) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50592-1-O | Oryctolagus cuniculus (cluster #1 of 8) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50597-12-O | Rattus norvegicus (cluster #12 of 12) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80001-1-O | 143B (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80002-2-O | 1A9 (Ovarian adenocarcinoma cells) (cluster #2 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80003-1-O | 1A9/ptx-10 (Ovarian adenocarcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80004-1-O | 1A9/ptx-22 (Ovarian adenocarcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80006-1-O | 3T3-L1 (Fibroblast cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80008-1-O | 5637 (Epithelial bladder carcinoma cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80026-1-O | AGS (Gastric adenocarcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80048-1-O | BXPC-3 (Pancreatic adenocarcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80056-1-O | CAKI-2 (Renal carcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80063-1-O | CCRF S-180 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80112-1-O | DAN-G (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80115-1-O | DC3F (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80120-1-O | DLD-1 (Colon adenocarcinoma cells) (cluster #1 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80132-1-O | EL4 (Thymoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80152-1-O | HCT-8 (Ileocecal adenocarcinoma) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80164-1-O | HT-1080 (Fibrosarcoma cells) (cluster #1 of 6) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80166-12-O | HT-29 (Colon adenocarcinoma cells) (cluster #12 of 12) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80169-1-O | Huh-7 (Hepatocellular carcinoma) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80192-1-O | KM12 (Colon adenocarcinoma cells) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80214-1-O | M14 (Melanoma cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80227-1-O | MCF7-ADR (Breast carcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80243-1-O | MDA-MB-453 (Breast adenocarcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80285-2-O | MOLT-4 (Acute T-lymphoblastic leukemia cells) (cluster #2 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80354-1-O | OVCAR-3 (Ovarian adenocarcinoma cells) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80356-1-O | OVCAR-5 (Ovarian adenocarcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80357-1-O | OVCAR-8 (Ovarian adenocarcinoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80362-8-O | P388 (Lymphoma cells) (cluster #8 of 8) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80390-3-O | PC-3 (Prostate carcinoma cells) (cluster #3 of 10) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80407-1-O | R1 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80408-1-O | R1-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80409-1-O | R2 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80410-1-O | R2-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80411-1-O | R30dm-CCRF-CEM (Lymphoblastic leukemia) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80414-1-O | Raji (B-lymphoblastic cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80443-1-O | S180 (Sarcoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80455-1-O | SCC-15 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80466-1-O | SF268 (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80468-1-O | SF-295 (Glioblastoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80485-1-O | SK-MEL-28 (Melanoma cells) (cluster #1 of 6) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80488-2-O | SK-MEL-5 (Melanoma cells) (cluster #2 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80495-1-O | SK-VLB (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80532-1-O | T-24 (Bladder carcinoma cells) (cluster #1 of 6) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80548-1-O | THP-1 (Acute monocytic leukemia cells) (cluster #1 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80560-1-O | U-251 (Glioma cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80568-1-O | UACC-257 (Melanoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80570-3-O | UACC-62 (Melanoma cells) (cluster #3 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80575-1-O | UO-31 (Renal carcinoma cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80623-1-O | Panel (56 tumour cell lines) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80647-1-O | 833K cell line (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80657-1-O | A253 cell line (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-11-O | A549 (Lung carcinoma cells) (cluster #11 of 11) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80711-1-O | NCI/ADR-RES (Breast carcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80752-1-O | carcinoma cell line (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80789-1-O | Colon 38 (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80815-1-O | D54 cell line (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80890-1-O | H350.3 (MTX-resistant Reuber hepatoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80893-1-O | H35 (Reuber hepatoma cells) (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80902-1-O | HASMC (Aortic smooth muscle cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80920-1-O | HCC 2998 (Colon adenocarcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-3-O | HCT-116 (Colon carcinoma cells) (cluster #3 of 9) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80928-6-O | HCT-116 (Colon carcinoma cells) (cluster #6 of 9) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80952-1-O | HES (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-3-O | HepG2 (Hepatoblastoma cells) (cluster #3 of 8) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81065-1-O | IGROV-1 (Ovarian adenocarcinoma cells) (cluster #1 of 3) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81084-1-O | KB VCR R (cluster #1 of 1) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81117-1-O | Keratinocytes (Keratinocytes) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-1-O | L6 (Skeletal muscle myoblast cells) (cluster #1 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-2-O | L6 (Skeletal muscle myoblast cells) (cluster #2 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81135-4-O | L6 (Skeletal muscle myoblast cells) (cluster #4 of 4) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81281-1-O | NCI-H23 (Non-small cell lung carcinoma cells) (cluster #1 of 5) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81283-1-O | NCI-H522 (Non-small cell lung carcinoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81322-1-O | SF-539 (Glioblastoma cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81325-1-O | SR (Leukemia cells) (cluster #1 of 2) | Other | 2 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) receptor (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) receptor (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| 5HT2A-1-E | Serotonin 2a (5-HT2a) receptor (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM1-2-E | Muscarinic acetylcholine receptor M1 (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM4-2-E | Muscarinic acetylcholine receptor M4 (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ACM5-1-E | Muscarinic acetylcholine receptor M5 (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AGTRA-1-E | Angiotensin II type 1a (AT-1a) receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| AMPC-1-B | Beta-lactamase (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ANDR-2-E | Androgen Receptor (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| BLO1-1-B | Beta-lactamase OXA-1 (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| BRS3-1-E | Bombesin receptor subtype-3 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CHK1-1-E | Serine/threonine-protein kinase Chk1 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| CLTR1-1-E | Cysteinyl leukotriene receptor 1 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD1-1-E | Dopamine D1 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD2-1-E | Dopamine D2 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD3-1-E | Dopamine D3 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD4-1-E | Dopamine D4 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| DRD5-1-E | Dopamine D5 receptor (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| EGFR-1-E | Epidermal growth factor receptor erbB1 (cluster #1 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ERBB2-2-E | Receptor protein-tyrosine kinase erbB-2 (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ERG1-2-E | Squalene monooxygenase (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ERG7-2-E | Lanosterol synthase (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ESR1-2-E | Estrogen receptor alpha (cluster #2 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| FDFT-2-E | Squalene synthetase (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GCR-2-E | Glucocorticoid receptor (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GYRA-1-B | DNA gyrase subunit A (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| GYRB-1-B | DNA gyrase subunit B (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| HRH3-2-E | Histamine H3 receptor (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ICAM1-2-E | Intercellular adhesion molecule-1 (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| ITAL-2-E | Leukocyte adhesion glycoprotein LFA-1 alpha (cluster #2 of 2) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| MDFA-1-B | Multidrug translocase mdfA (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PARC-1-B | Topoisomerase IV subunit A (cluster #1 of 1) | Bacteria | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| PTAFR-1-E | Platelet activating factor receptor (cluster #1 of 3) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Q864F1-1-E | Phosphodiesterase 5 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SSR1-1-E | Somatostatin receptor 1 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SSR2-1-E | Somatostatin receptor 2 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SSR3-1-E | Somatostatin receptor 3 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SSR4-1-E | Somatostatin receptor 4 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| SSR5-1-E | Somatostatin receptor 5 (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TOP1-1-E | DNA topoisomerase I (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TOP2A-1-E | DNA topoisomerase II alpha (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TOP2B-1-E | DNA topoisomerase II beta (cluster #1 of 1) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| TRPA1-4-E | Transient receptor potential cation channel subfamily A member 1 (cluster #4 of 6) | Eukaryotes | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100501-1-O | Lu1 (Lung carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100515-1-O | HPAC (Pancreatic adenocarcinoma) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100519-1-O | KETR3 (Renal carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100715-2-O | Nippostrongylus brasiliensis (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100752-1-O | Renca (Renal carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z100757-1-O | SW1573 (Lung carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101767-1-O | Dengue virus 2 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z101892-1-O | Magnaporthe oryzae (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102178-1-O | Liver microsomes (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102275-1-O | Hypothalamus (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102306-1-O | Aorta (cluster #1 of 6) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102372-1-O | Aorta (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z102380-2-O | Ileum (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103181-1-O | Microdochium nivale (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103348-1-O | NCI-H2122 (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103393-1-O | SK-N-AS (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103407-1-O | SW1990 (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103408-1-O | SW626 (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z103413-1-O | SW948 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104297-1-O | Glutamate NMDA receptor; GRIN1/GRIN2B (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z104298-1-O | Glutamate NMDA receptor; GRIN1/GRIN2A (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50028-2-O | Streptococcus pneumoniae (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50117-1-O | Pseudomonas aeruginosa (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50378-1-O | Mycobacterium intracellulare (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50380-1-O | Mycobacterium smegmatis (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-4-O | Plasmodium falciparum (cluster #4 of 22) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50425-6-O | Plasmodium falciparum (cluster #6 of 22) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50442-2-O | Candida albicans (cluster #2 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50467-2-O | Trichomonas vaginalis (cluster #2 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50587-5-O | Homo sapiens (cluster #5 of 9) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50588-6-O | Canis familiaris (cluster #6 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50599-1-O | Cowpox virus (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50606-1-O | Hepatitis B virus (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50607-1-O | Human immunodeficiency virus 1 (cluster #1 of 10) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50641-2-O | West Nile virus (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50677-1-O | Human immunodeficiency virus (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z50678-1-O | Respiratory syncytial virus (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80012-1-O | A 172 (Glioblastoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80014-1-O | A204 (Rhabdomyosarcoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80017-1-O | A2780cisR (Cisplatin-resistant ovarian carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80021-2-O | A498 (Renal carcinoma cells) (cluster #2 of 5) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80039-1-O | BGC-823 (Stomach adenocarcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80040-1-O | BHK-21 (Kidney cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80045-1-O | BT-20 (Breast carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80051-1-O | C6-BU-1 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80055-1-O | CAKI-1 (Kidney carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80068-3-O | CCRF-SB (Lymphoblastic leukemia cells) (cluster #3 of 5) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80076-1-O | CEM-SS (T-cell leukemia) (cluster #1 of 5) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80086-1-O | CFPAC-1 (Pancreatic carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80089-1-O | CHO-AA8 (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80105-1-O | COR-L23 (Lung carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80114-1-O | Daudi (Burkitts lymphoma cells) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80117-1-O | DC3F/AD-II (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80119-1-O | Detroit 98 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80125-8-O | DU-145 (Prostate carcinoma) (cluster #8 of 9) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80164-2-O | HT-1080 (Fibrosarcoma cells) (cluster #2 of 6) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80186-6-O | K562 (Erythroleukemia cells) (cluster #6 of 11) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80193-1-O | L1210 (Lymphocytic leukemia cells) (cluster #1 of 12) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80224-7-O | MCF7 (Breast carcinoma cells) (cluster #7 of 14) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80224-9-O | MCF7 (Breast carcinoma cells) (cluster #9 of 14) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80244-3-O | MDA-MB-468 (Breast adenocarcinoma) (cluster #3 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80254-1-O | MES-SA (Uterine sarcoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80255-2-O | MES-SA/DxS (Uterine sarcoma cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 of 8) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80322-2-O | NCI-H358 (Lung carcinama cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80364-1-O | P388/ADR (Lymphoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80367-1-O | P388/S (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80372-1-O | P388CPT5 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80381-1-O | PANC-1 (Pancreatic carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80401-1-O | PSN1 (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80475-3-O | SK-BR-3 (Breast adenocarcinoma) (cluster #3 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80478-1-O | SK-LU-1 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80493-2-O | SK-OV-3 (Ovarian carcinoma cells) (cluster #2 of 6) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80539-1-O | T98G (Glioblastoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80559-1-O | U251 (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80583-7-O | Vero (Kidney cells) (cluster #7 of 7) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80596-1-O | WISH (Amniotic epithelial cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80608-1-O | ZR-75-1 (Breast carcinoma cells) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80661-1-O | A704 (Renal carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80682-7-O | A549 (Lung carcinoma cells) (cluster #7 of 11) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80702-1-O | BG-1 cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80726-1-O | TRAMP-C1A (Prostate carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80730-1-O | C2D cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80731-1-O | C2G cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80732-1-O | TRAMP-C2H (Prostate carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80742-1-O | C6 (Glioma cells) (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80751-1-O | Caov-3 cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80768-1-O | CH1 (Ovarian carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80773-1-O | CHRC/5 cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80776-1-O | Clone 62 cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80784-1-O | Col2 (Colon carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80800-1-O | MIA PaCa-2 (Pancreatic carcinoma cells) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80888-1-O | H2987 cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80891-1-O | H4 (Hepatoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80898-1-O | NCI-H928 (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80930-1-O | HEC-1B cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80951-2-O | NIH3T3 (Fibroblasts) (cluster #2 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80991-1-O | Hs-578T (Breast carcinoma cells) (cluster #1 of 3) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z80996-1-O | HT1197 (Bladder carcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81020-1-O | HepG2 (Hepatoblastoma cells) (cluster #1 of 8) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81034-2-O | A2780 (Ovarian carcinoma cells) (cluster #2 of 10) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81057-1-O | HUVEC (Umbilical vein endothelial cells) (cluster #1 of 4) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81072-2-O | Jurkat (Acute leukemic T-cells) (cluster #2 of 10) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81072-6-O | Jurkat (Acute leukemic T-cells) (cluster #6 of 10) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81080-1-O | KATO-III cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81131-1-O | L cells (Fibroblasts) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81134-1-O | L2987 (Lung adenocarcinoma cells) (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81160-1-O | Lewis lung carcinoma cell line (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81164-1-O | LL cell line (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81186-2-O | LS174T (Colon adencocarcinoma cells) (cluster #2 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81264-1-O | V79 (Lung fibroblasts) (cluster #1 of 2) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81335-2-O | HCT-15 (Colon adenocarcinoma cells) (cluster #2 of 5) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |
| Z81342-1-O | tumour cell lines (cluster #1 of 1) | Other | 1 | Annotations Catalogs | SMILES SDF Mol2 Flexibase |