smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(-c2nn[nH]n2)oc2c(C=Cc3ccc(OCCCCc4ccccc4)cc3)cccc12 ZINC000002004569 554008864 /nfs/dbraw/zinc/00/88/64/554008864.db2.gz KBTDCXSSQDGWLL-NTCAYCPXSA-N 0 2 464.525 5.545 20 0 JKADLN