smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn(-c2c3ccccc3[nH+]c3ccccc32)c[nH+]1 ZINC000004725920 385164931 /nfs/dbraw/zinc/16/49/31/385164931.db2.gz WMLCJNVGEDCRLQ-UHFFFAOYSA-N 2 2 245.285 3.574 50 10 BHCALP