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-])CCC(=O)NNC(=O)c1ccccc1[O-] ZINC000003158945 967492533 /nfs/dbraw/zinc/49/25/33/967492533.db2.gz QPOFIMGAIDWQGZ-UHFFFAOYSA-N -2 3 252.226 0.018 50 50 CCGAHL CC(C)C(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013059171 956920019 /nfs/dbraw/zinc/92/00/19/956920019.db2.gz MEPNGOFFFDGIAA-UHFFFAOYSA-N -3 3 286.309 0.350 50 50 CCGAHL