Organic reaction SMILES 1.44M dataset

Dataset of 1.44 million organic reaction SMILES. The zip file contains one text file (.txt) with size 223 MB. Each line contains a reaction SMILES of the type reactant>solvents.reagents.catalysts>products. The SMILES strings are RDkit safe. Data taken from patents (USPTO, EPO) and academic literature. See https://kmt.vander-lingen.nl for more information.本数据集涵盖144万条有机反应简化分子线性输入规范（SMILES）字符串。压缩包内含1个体积为223 MB的文本文件（格式为.txt）。每行存储一条遵循「反应物>溶剂.试剂.催化剂>产物」格式的反应SMILES字符串，且所有SMILES字符串均符合RDkit规范。数据集源自专利（美国专利商标局，USPTO；欧洲专利局，EPO）及学术文献。更多详情可访问：https://kmt.vander-lingen.nl