smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])C(CCc1nn[nH]n1)(CCc1nn[nH]n1)CCc1nn[nH]n1 ZINC000008694216 375237302 /nfs/dbraw/zinc/23/73/02/375237302.db2.gz CJDYPQSMXXIAAQ-UHFFFAOYSA-N -3 2 349.319 -1.560 50 5 EABALL