smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@](CC(=O)[O-])(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000066349336 569298700 /nfs/dbraw/zinc/29/87/00/569298700.db2.gz BRQNRBLHGWITIA-XMMPIXPASA-N 0 2 432.432 3.579 10 5 IHBELN O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000001776493 562924631 /nfs/dbraw/zinc/92/46/31/562924631.db2.gz HZLXCGJJQAOSHK-VIZOYTHASA-N 0 2 433.829 3.629 10 5 IHBELN