smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=S)nc2[nH]c3ccccc3cc1-2 ZINC000006584015 183009152 /nfs/dbraw/zinc/00/91/52/183009152.db2.gz SQSDYCCKAFRNLS-UHFFFAOYSA-N 0 1 229.264 1.712 1 5 BDBFMN