smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)CN2COCN(CS(=O)(=O)c3ccc(C)cc3)C2=O)cc1 ZINC000096675106 557838496 /nfs/dbraw/zinc/83/84/96/557838496.db2.gz VJNVJHFRAKOKOE-UHFFFAOYSA-N 0 0 438.527 2.135 30 0 IEACRN