smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCC[NH2+]C[C@H](O)NC(=O)CCCCCCNC(N)=[NH2+] ZINC000071332307 208763303 /nfs/dbraw/zinc/76/33/03/208763303.db2.gz BLUYEPLOXLPVCJ-INIZCTEOSA-N 3 3 373.546 -0.837 1 0 FBAFHP