smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CC(C)(C)[NH2+]CC[NH2+]C(C)(C)CC(C)(C)C ZINC000019366523 570237783 /nfs/dbraw/zinc/23/77/83/570237783.db2.gz DCRAECRBHQMGEX-UHFFFAOYSA-N 2 0 284.532 4.595 40 0 CJABRP