smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[N+](CCCC)(CCCC)CCCC ZINC000001706222 169015937 /nfs/dbraw/zinc/01/59/37/169015937.db2.gz DZLFLBLQUQXARW-UHFFFAOYSA-N 1 0 242.471 5.004 50 5 in-vivo BKBARO N#[N+]c1ccc2ccc3cccc4ccc1c2c34 ZINC000004831566 188052069 /nfs/dbraw/zinc/05/20/69/188052069.db2.gz BWHQWOHPLXSTGY-UHFFFAOYSA-N 1 0 229.262 5.069 50 5 BKBARO