smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1cc(Cl)c([O-])c(Cl)c1)c1ccc(Br)cc1 ZINC000003078250 817416704 /nfs/dbraw/zinc/41/67/04/817416704.db2.gz GVVADJJIRXCSDK-UHFFFAOYSA-N -2 0 397.077 4.262 20 10 GICDRL