smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN=c1c2ccccc2ccc2ccccc21 ZINC000040834473 368332652 /nfs/dbraw/zinc/33/26/52/368332652.db2.gz ZKVJPSMWHMTIEH-UHFFFAOYSA-N 0 3 219.287 3.524 10 5 BHBEHN