smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(CN(C)C)c(C)[nH]1 218643485 344414365 /nfs/dbraw/zinc/41/43/65/344414365.db2.gz ASZGECGEBICNGZ-UHFFFAOYSA-N 0 3 152.241 1.693 40 70 ADIBHN