smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)CCC(=O)[O-] ZINC000043911136 563171317 /nfs/dbraw/zinc/17/13/17/563171317.db2.gz OOMRJSUHLCGCOS-HNNXBMFYSA-N -1 0 482.477 2.114 1 70 JEIFRM CCCCCNC(=O)[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)CCC(=O)[O-] ZINC000043911132 563171351 /nfs/dbraw/zinc/17/13/51/563171351.db2.gz OOMRJSUHLCGCOS-OAHLLOKOSA-N -1 0 482.477 2.114 1 70 JEIFRM