smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1cccc2cccc([S-])c12 33799829 171051799 /nfs/dbraw/zinc/05/17/99/171051799.db2.gz GMHNWMFGZBBHPP-UHFFFAOYSA-N -2 0 192.308 3.417 40 0 AGABRL