smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2cccc(S(=O)(=O)F)c2)n(C)c1=O 848945019 HRIMQJAMIPJBMK-UHFFFAOYSA-N 474.452 -1.898 70 20 JAID Cn1c(=O)c2c(ncn2CC(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)n(C)c1=O 848944992 HBZDLGGHEGRUFE-UHFFFAOYSA-N 474.452 -1.898 70 20 JAID