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)(C)[NH2+]CCC(=O)NN 1791379 717090133 /nfs/dbraw/zinc/09/01/33/717090133.db2.gz RISHTJLAEZJUSC-UHFFFAOYSA-O 2 2 161.229 -1.423 40 50 AAGBLP