smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCOC(=O)C[N+]1(CC[NH+]2CCCCC2)CCCCC1 ZINC000102919499 520018935 /nfs/dbraw/zinc/01/89/35/520018935.db2.gz CKTHYZSCFONGOA-UHFFFAOYSA-N 2 1 395.652 5.157 50 30 GKEAMP