smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)Nc2nc(C)cc(Cl)n2)cc1 ZINC000217396924 402292637 /nfs/dbraw/zinc/29/26/37/402292637.db2.gz PNUCVDXRQCZTGV-UHFFFAOYSA-N 0 1 313.766 2.248 40 70 DEIBMN