smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cn(C)c(N)n1 218533596 344413353 /nfs/dbraw/zinc/41/33/53/344413353.db2.gz VOUUUJLGKIVVSA-UHFFFAOYSA-N 0 3 125.175 0.565 50 70 ACIAHN