smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C(=O)C(O)=C([O-])C([O-])=C1O 4786581 169365889 /nfs/dbraw/zinc/36/58/89/169365889.db2.gz SLMIQMVBMZJQAX-XIXRPRMCSA-N -2 0 172.092 -3.002 50 10 AACARL O=C1C(=O)C(O)=C([O-])C([O-])=C1O 25624018 169365905 /nfs/dbraw/zinc/36/59/05/169365905.db2.gz SLMIQMVBMZJQAX-JCYAYHJZSA-N -2 0 172.092 -3.002 50 10 AACARL O=C1C(=O)C(O)=C([O-])C([O-])=C1O 4786584 169366075 /nfs/dbraw/zinc/36/60/75/169366075.db2.gz SLMIQMVBMZJQAX-LWMBPPNESA-N -2 0 172.092 -3.002 50 10 AACARL