smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccccc1-c1nc2ccc3ccccc3c2c2c1CCC2 ZINC000000970467 563273282 /nfs/dbraw/zinc/27/32/82/563273282.db2.gz GNYHUNIBPFXDEQ-UHFFFAOYSA-N -1 3 311.384 5.249 50 5 DKBAHM [O-]c1ccc2c(c1)oc1c2nc2ccccc2c1-c1ccccc1 ZINC000007719359 563918019 /nfs/dbraw/zinc/91/80/19/563918019.db2.gz SCLAWFINDWXMKA-UHFFFAOYSA-N -1 3 311.340 5.507 50 5 DKBAHM