smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[N@@H+](CCC)Cc1ccccc1O ZINC000303785820 644846057 /nfs/dbraw/zinc/84/60/57/644846057.db2.gz DMXRAIVQPPQGBX-UHFFFAOYSA-N 1 1 249.398 4.185 20 10 BICDMO CCC[N@@H+](CC)Cc1cc(C(C)C)c(C)cc1O ZINC000727820927 583777514 /nfs/dbraw/zinc/77/75/14/583777514.db2.gz SMAMQHPMYBYAFH-UHFFFAOYSA-N 1 1 249.398 4.056 20 10 BICDMO CCC[N@@H+](CCC(C)(C)C)Cc1ccccc1O ZINC000732982214 584942177 /nfs/dbraw/zinc/94/21/77/584942177.db2.gz NTSSORSMEZNLPA-UHFFFAOYSA-N 1 1 249.398 4.040 20 10 BICDMO CCCC[N@@H+](C)Cc1cc(C(C)C)c(C)cc1O ZINC000913064371 640289956 /nfs/dbraw/zinc/28/99/56/640289956.db2.gz QCDAKCNIYYHDHL-UHFFFAOYSA-N 1 1 249.398 4.056 20 10 BICDMO