smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)c2cc(F)ccc2[nH+]1 ZINC000032606555 202229202 /nfs/dbraw/zinc/22/92/02/202229202.db2.gz CKEHJTTUXCQTDM-UHFFFAOYSA-N 1 1 331.734 4.988 10 5 EJBEMO