smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCS(=O)(=O)NCCC[NH2+]C/C=C/CNCCC[NH3+] ZINC000043543884 563120716 /nfs/dbraw/zinc/12/07/16/563120716.db2.gz RHZMYQVTDKJLEF-VAWYXSNFSA-N 2 3 432.719 3.301 1 30 IGEFHP