smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(S(=O)(=O)F)ccn1)CC2 ZINC001164664890 719355975 /nfs/dbraw/zinc/35/59/75/719355975.db2.gz RPEDGBMUMYKMCW-UHFFFAOYSA-N 0 0 455.559 3.435 20 70 JGIDRN