smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Sc1c2ccccc2cc2c3ccccc3ccc12 ZINC000005935218 170158013 /nfs/dbraw/zinc/15/80/13/170158013.db2.gz BYDZSGUMFLJKLZ-UHFFFAOYSA-N 0 1 260.361 5.435 10 5 CKBEMN