smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1c(CCCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)nc2ccccc21 ZINC000218344148 568478839 /nfs/dbraw/zinc/47/88/39/568478839.db2.gz BCGMOGRSSMTHFZ-UHFFFAOYSA-N -1 3 422.916 4.887 50 70 HJIAHM