smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=S)[n-]c2ccc(S(=O)(=O)Cc3ccccc3)cc12 ZINC000217439670 241251186 /nfs/dbraw/zinc/25/11/86/241251186.db2.gz FEFUBDLQHWOXGM-UHFFFAOYSA-N -1 3 329.446 4.180 40 70 EIIBHM