smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(CCOc2ccc3cc4ccc(OCCN5CCN(C)CC5)cc4nc3c2)CC1 ZINC000029405386 563102768 /nfs/dbraw/zinc/10/27/68/563102768.db2.gz LINZZKOLAFNURT-UHFFFAOYSA-N 0 3 463.626 2.640 10 5 JFBEHN