smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC1=[NH+]CCS1 101367475 171162993 /nfs/dbraw/zinc/16/29/93/171162993.db2.gz CSJNFMDJVNLBIS-UHFFFAOYSA-N 1 2 185.336 3.492 50 30 AGEALO CCCC/[NH+]=C(/C)c1ccccc1O 4552230 342992877 /nfs/dbraw/zinc/99/28/77/342992877.db2.gz OXHZFLTWVLNLTM-RAXLEYEMSA-N 1 2 191.274 3.001 50 30 AGEALO CCCCCCCCn1cc[nH+]c1 100097437 343710924 /nfs/dbraw/zinc/71/09/24/343710924.db2.gz KLMZKZJCMDOKFE-UHFFFAOYSA-N 1 2 180.295 3.244 50 30 in-vitro AGEALO