smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1cncn1-c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001162857380 1068393507 /nfs/dbraw/zinc/39/35/07/1068393507.db2.gz PBMKJLCUALEDGF-STQMWFEESA-N 2 0 429.441 -1.397 20 5 IABDRP