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(N[C@@H]1CCCN([O-])C1=O)c1cc(=O)[nH][n-]1 ZINC000848138040 588360797 /nfs/dbraw/zinc/36/07/97/588360797.db2.gz JAFICJGEZURKHT-RXMQYKEDSA-N -2 3 240.219 -1.641 20 30 BAEDHL O=C(N[C@H]1CCCN([O-])C1=O)c1cc(=O)[nH][n-]1 ZINC000848138041 588360501 /nfs/dbraw/zinc/36/05/01/588360501.db2.gz JAFICJGEZURKHT-YFKPBYRVSA-N -2 3 240.219 -1.641 20 30 BAEDHL