smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000002645953 562929170 /nfs/dbraw/zinc/92/91/70/562929170.db2.gz KFPVXJLWBOHVGL-UHFFFAOYSA-N -1 2 425.513 2.753 20 0 IFADLM