smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1N1CC[NH+](Cc2c(O)c(C[NH+]3CCCCC3)coc2=O)CC1 ZINC000218520604 568879998 /nfs/dbraw/zinc/87/99/98/568879998.db2.gz PSGZDAUQCWZDIX-UHFFFAOYSA-N 2 2 413.518 2.662 50 70 HFIALP