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]([NH3+])CCCC[NH3+] ZINC000014243637 563014412 /nfs/dbraw/zinc/01/44/12/563014412.db2.gz HXQRGYNEDCHJPJ-DHIUTWEWSA-N 2 0 438.701 4.251 10 30 IIEERP CCCCCCCCCCCCC(=O)N1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCC[NH3+] ZINC000014243638 563014459 /nfs/dbraw/zinc/01/44/59/563014459.db2.gz HXQRGYNEDCHJPJ-XZOQPEGZSA-N 2 0 438.701 4.251 10 30 IIEERP