smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCn1c(N)ncc1-c1ccccc1 ZINC000066103934 520027618 /nfs/dbraw/zinc/02/76/18/520027618.db2.gz ABNUDPKQACPYET-UHFFFAOYSA-N 0 3 299.462 5.273 1 30 CKEFHN