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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C19486
pubchemid 124490158
name 3-Nitrotoluene
formula C7H7NO2
structure
Isomeric_Smiles CCN1C(=O)[C@@H](SC1=S)CC(=O)OCC
Cannoical_Smiles CCN1C(=O)C(SC1=S)CC(=O)OCC
Gotenzyme_Smiles Cc1cccc([N+](=O)[O-])c1