smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1ccccc1F)c1cccc(NC(=S)NCCN2CCOCC2)c1 ZINC000025194433 563027435 /nfs/dbraw/zinc/02/74/35/563027435.db2.gz QPGMBVABYSOUOX-UHFFFAOYSA-N -1 3 438.550 2.656 20 30 IFEDHM