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(F)(F)NCCC[NH3+] ZINC000013650024 181382469 /nfs/dbraw/zinc/38/24/69/181382469.db2.gz GTWPTZAMAIOXBH-UHFFFAOYSA-N 2 3 238.326 0.236 1 0 BCAFHP