smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000118251178 589165722 /nfs/dbraw/zinc/16/57/22/589165722.db2.gz FFROETSVSGPLNU-UHFFFAOYSA-N 2 1 240.435 3.549 20 30 BHEDMP CCCCCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000817914540 586839534 /nfs/dbraw/zinc/83/95/34/586839534.db2.gz ZNQSJWSWNKGVEK-CYBMUJFWSA-N 2 1 249.402 3.505 20 30 BHEDMP CCCCCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000817914541 586839849 /nfs/dbraw/zinc/83/98/49/586839849.db2.gz ZNQSJWSWNKGVEK-ZDUSSCGKSA-N 2 1 249.402 3.505 20 30 BHEDMP