smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1CNC(=O)[C@H](N)CCCC[NH3+] ZINC000014243637 563014414 /nfs/dbraw/zinc/01/44/14/563014414.db2.gz HXQRGYNEDCHJPJ-DHIUTWEWSA-N 1 3 438.701 4.251 10 30 IIEEHO CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@H](N)CCCC[NH3+] ZINC000014243638 563014461 /nfs/dbraw/zinc/01/44/61/563014461.db2.gz HXQRGYNEDCHJPJ-XZOQPEGZSA-N 1 3 438.701 4.251 10 30 IIEEHO