smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS(=O)(=O)Oc1c(S(=O)(=O)Cl)ccc2c(N(S(C)(=O)=O)S(C)(=O)=O)cccc12 100420385 YRNVMLHKHZVDMQ-UHFFFAOYSA-N 491.974 0.831 70 30 JCIC CC(=O)OC[C@H]1O[C@H](OCCOCCBr)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 35985739 AAVRTYZNZZPPTF-ZBRFXRBCSA-N 499.307 0.498 70 30 JCIC