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-])C1Cc2cc(O)c([O-])cc2C(C(=O)C2=CC(=O)C(=O)C=C2)=N1 ZINC000100487307 219100373 /nfs/dbraw/zinc/10/03/73/219100373.db2.gz MYZUVSBNBVDFAM-UHFFFAOYSA-N -2 3 341.275 -0.922 10 30 EBEEHL CC(=O)N([O-])CCC[C@H]1NC(=O)[C@@H](CCCN(O)C(C)=O)NC1=O ZINC000000057487 209393405 /nfs/dbraw/zinc/39/34/05/209393405.db2.gz PUWVNTVQJFSBDH-VXGBXAGGSA-N -2 3 344.368 -0.995 10 30 EBEEHL CC(=O)N([O-])CCC[C@H]1NC(=O)[C@@H](CCCN([O-])C(C)=O)NC1=O ZINC000000057487 209393410 /nfs/dbraw/zinc/39/34/10/209393410.db2.gz PUWVNTVQJFSBDH-VXGBXAGGSA-N -2 3 344.368 -0.995 10 30 EBEEHL