smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSC(=S)[N-]Cc1cc2ccccc2o1 ZINC000028866220 175441614 /nfs/dbraw/zinc/44/16/14/175441614.db2.gz OGORFFQKSKZWEU-UHFFFAOYSA-N -1 1 237.349 3.170 1 10 BGCFMM