smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cc2c3[nH]c(-c4ccccc4)nc3c3ccccc3c2o1 ZINC000045356687 175362074 /nfs/dbraw/zinc/36/20/74/175362074.db2.gz IPOVDUXLOLXBMH-UHFFFAOYSA-N 0 1 284.318 5.129 1 5 CKBFMN