smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@@H]1COC(C)(C)O1 757122163 QOTALJRVDSIPAG-NTSWFWBYSA-N 322.257 0.546 70 30 DCIC O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Cl)cc21 100566280 GCYDPWWJKFVCRH-UHFFFAOYSA-N 305.695 0.424 70 30 DCIC in-vitro CS(=O)(=O)c1cc(S(=O)(=O)Cl)sc1C(=O)O 1535642582 SDJIXAFTNOCAGN-UHFFFAOYSA-N 304.754 0.777 70 30 DCIC O=C1c2ccccc2C(=O)N1CCOCCS(=O)(=O)Cl 238852450 GDSNVUOBVGDVHB-UHFFFAOYSA-N 317.750 0.868 70 30 DCIC COc1ccc(B(O)OB(O)c2ccc(OC)c(F)c2)cc1F 204263821 GJAJOKUUWCNUJV-UHFFFAOYSA-N 321.881 0.074 70 30 DCIC