smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c([N-]c2ccccc2Cl)ncnc1Oc1ccccc1 ZINC000040648173 213363794 /nfs/dbraw/zinc/36/37/94/213363794.db2.gz UETDKYBAWMPSTI-UHFFFAOYSA-N -1 3 342.742 4.574 10 5 EJBEHM O=[N+]([O-])c1c([N-]c2ccccc2Cl)ncnc1Nc1ccccc1 ZINC000040647871 213364146 /nfs/dbraw/zinc/36/41/46/213364146.db2.gz ZFQDQGBMVMXBPV-UHFFFAOYSA-N -1 3 341.758 4.525 10 5 EJBEHM