smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)Nc1ccccc1C(=O)[O-] ZINC000023468424 558559166 /nfs/dbraw/zinc/55/91/66/558559166.db2.gz RRVPXIQSYWXJKU-UHFFFAOYSA-N -3 2 411.367 -0.819 40 0 HBABLL