BATCH DOWNLOAD
| S. No. | File description | File size | Download | Release date |
|---|---|---|---|---|
| 1 | Names and identifiers of chemicals List of 690 aquaculture chemicals with chemical name, PubChem Identifier, Chemical Abstracts Service Registry Number (CASRN), category, molecular weight (in g/mol), canonical SMILES, InChI, InChIKey, ClassyFire classifications (Kingdom, SuperClass, and Class), the DSSTox identifier, the DSSTox IUPAC name, and the DSSTox molecular formula, predicted fate coefficients, bioconcentration factor (BCF) value, bioaccumulation factor (BAF) value, and aqueous solubility value and associated standard deviation (in terms of LogS). |
186K |  |
Jan 2026 |
| 3 | Physicochemical properties List of 339 of 690 aquaculture chemicals and their Physicochemical properties, namely, Molecular weight, Log P, TPSA, Hydrogen bond acceptors, Hydrogen bond donors, Carbon atoms, Heavy atoms, Heteroatoms, Chiral centers and Rotatable bonds |
32K | |
Jan 2026 |
| 4 | 2D structures A single sdf file with 2-dimensional structure of 339 of 690 aquaculture chemicals |
1.5M |  |
Jan 2026 |
| 5 | 3D structures A single sdf file with 3-dimensional structure of 330 of 690 aquaculture chemicals |
1.6M | |
Jan 2026 |
| 6 | Curated Therapeutic Use Data Therapeutic use data on 621 of 690 aquaculture chemicals curated from published literature including aquaculture species, type of experiment, pathogens targeted by chemicals, experimental administration method and doses, and reference |
358K | |
Jan 2026 |
| 7 | Curated Toxic Effects Data Toxicity data on 215 of 690 aquaculture chemicals curated from published literature including aquaculture species, type of experiment, experimental administration method and doses, and reference |
149K | |
Jan 2026 |
| 8 | Toxicity Data from ECOTOX Acute and chronic toxicity data from ECOTOX for 142 of the 690 aquaculture chemicals, including the PubChem ID, CASRN, the Latin name of the associated species, the corresponding ECOTOX species group, the NCBI taxonomy identifer for the species, the type of toxicity, the toxicity endpoint, the toxicity concentration (in ppm equivalents), and the trend, measurement, and effect associated with the observed effects |
971K | |
Jan 2026 |
| 9 | BCF Data from ECOTOX Bioconcentration factor (BCF) data from ECOTOX for 24 of 690 aquaculture chemicals, including the PubChem ID, CASRN, the Latin name of the associated species, the corresponding ECOTOX species group, the NCBI taxonomy identifier for the species, and the BCF value (in L/kg). |
4.3K | |
Jan 2026 |
| 10 | CTD Chemical-Gene Associations Chemical-Gene Associations for 54 of 690 aquaculture chemicals obtained from CTD including PubChem ID, CASRN of the chemical, the gene form of the associated gene, the NCBI gene identifer, the gene symbol, the interaction action between chemical and gene, the NCBI taxonomy identifier and the Latin name of associated organism, and the PubMed identifier of corresponding reference(s) |
1.1M | |
Jan 2026 |
| 9 | CTD Chemical-Phenotype Associations Chemical-Phenotype Associations for 49 of 690 aquaculture chemicals obtained from CTD including PubChemID and CASRN of the chemical, the associated phenotype identifier from gene ontology (GO), the phenotype name, the interaction action between chemical and phenotype, the NCBI taxonomy identifier and the Latin name of associated organism, and the PubMed identifier of corresponding reference(s) |
52K | |
Jan 2026 |
| 10 | CTD Chemical-Disease Associations Chemical-Disease Associations for 17 of 690 aquaculture chemicals obtained from CTD including PubChemID and CASRN of the chemical, the Medical Subjects Headings (MeSH) identifier of the disease, the disease name, and the Latin name of the associated organism(s) |
18K | |
Jan 2026 |
| 11 | Biotransformation Data Biotransformation data on 229 of 690 aquaculture chemicals, including the PubChem ID, CASRN and canonical SMILES of the aquaculture chemical, the corresponding successor chemical information such as SMILES and PubChem identiier (if available), the corresponding reaction name and SMILES, the enzyme involved in the reaction, the biosystem for the reaction, the type of transformation, and the source of the reaction. |
352K | |
Jan 2026 |
| 12 | Aquaculture-Relevant Species Species-level information on 71 aquaculture-relevant species, including the species name, taxonomic classification from NCBI and FishBase, NCBI taxonomy identifier, habitat and habitat category, commercial and aquaculture importance, migratory strategy, trophic level, freshwater, brackish water and saltwater occurrence, depth distribution, maximum length, weight and age, genomic resource availability including nucleotide, protein, SRA and assembly records, genome assembly information, genome size, and supporting references. |
40K | |
Jun 2026 |
| 13 | Regulatory Lists Regulatory list information on aquaculture chemicals, including the chemical name, PubChemID, CASRN, regulatory list name, country or jurisdiction, and the corresponding regulatory status assigned to the chemical. |
5.9K | |
Jan 2026 |
| 14 | Curated Regulatory Information Curated regulatory information on aquaculture chemicals, including the chemical name, PubChemID, CASRN, study location, country, chemical source, regulatory information, regulatory status, regulating country, usage status, additional categorizations, supplementary regulatory information, and the corresponding reference source. |
681K | |
Jun 2026 |
| 15 | Substances of Concern and In-Use Chemicals Information on substances of concern and chemicals currently in use commercially in some market, including the chemical name, PubChemID, CASRN, source list name, category, chemical class, and the corresponding source link. |
35K | |
Jan 2026 |
| 16 | PBMT Status Data Persistence, bioaccumulation, toxicity, mobility, and very persistent/very mobile assessment information on aquaculture chemicals, including the chemical name, PubChemID, CASRN, assessment outcome, assessment source, and the corresponding source link. |
4.2K | |
Jan 2026 |
DISCLAIMER
ReCAnt is a database of chemicals used in aquaculture and their ecotoxic effects, compiled from published literature. The authors are not liable for any inaccuracies or omissions of any chemicals in this resource. Importantly, our sole goal to build this resource on chemicals used in aquaculture is to enable future basic research on this topic, and it does not necessarily reflect the views or objectives of our employers or funders.