smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[NH2+]C[C@H](N)CCCC[NH3+] ZINC000043335133 213577037 /nfs/dbraw/zinc/57/70/37/213577037.db2.gz WVHHFNFSRWCZMU-HXUWFJFHSA-N 2 1 327.601 4.733 1 30 EJEFMP