smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(NC(CC[NH+]2CCCCC2)=NC(C)(C)C)cc1 ZINC000001572272 563285578 /nfs/dbraw/zinc/28/55/78/563285578.db2.gz LIIVBLITRNFSJX-UHFFFAOYSA-N 1 3 317.477 3.989 40 30 DHEBHO CC(C)NC(=N)NC(=[NH2+])Nc1ccc2ccc3ccccc3c2c1 ZINC000005834535 181287465 /nfs/dbraw/zinc/28/74/65/181287465.db2.gz OGIAQXVORFWVSI-UHFFFAOYSA-N 1 3 319.412 3.652 40 30 DHEBHO