smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)OCCSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000023470786 212378733 /nfs/dbraw/zinc/37/87/33/212378733.db2.gz BWOLAHYKZJXJDK-UHFFFAOYSA-N 1 2 337.448 4.553 20 5 EJBDLO