smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(N)CCC(N)=O 34477875 572084698 /nfs/dbraw/zinc/08/46/98/572084698.db2.gz FPRPJZHHMAMWQL-UHFFFAOYSA-O 1 3 132.187 -1.188 10 5 AABEHO