smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000514380935 1066275390 /nfs/dbraw/zinc/27/53/90/1066275390.db2.gz RXMHTCYYULPPQS-UHFFFAOYSA-N -2 1 509.606 2.175 20 0 KEADML