smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCc1cc[nH+]c(CCCC)c1CCCC ZINC000086860279 188144495 /nfs/dbraw/zinc/14/44/95/188144495.db2.gz ICKPMZSTRBJHKU-UHFFFAOYSA-N 1 2 247.426 5.109 2 0 BKAFLO