smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)C[NH+](C)C)[C@H](OC(=O)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000143470250 562835103 /nfs/dbraw/zinc/83/51/03/562835103.db2.gz ANWWJORIPQKJFW-DLFZDVPBSA-N 2 2 592.778 5.031 20 30 KKEDLP