smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=Nc1ccc(Nc2ccccc2)cc1 ZINC000028630677 343092345 /nfs/dbraw/zinc/09/23/45/343092345.db2.gz GDERUFOMALAMAR-UHFFFAOYSA-N 1 2 197.241 4.093 50 10 AICALO