smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1S ZINC000039194356 213231895 /nfs/dbraw/zinc/23/18/95/213231895.db2.gz DTFZDOYGPBIKHH-UHFFFAOYSA-N -1 2 349.455 5.010 1 10 EKCFLM