smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCc1cccc[n+]1C 40466826 167168360 /nfs/dbraw/zinc/16/83/60/167168360.db2.gz XOFZDYOFUFUYNY-UHFFFAOYSA-N 1 3 193.314 1.395 1 0 ADAFHO CN1CC=C([C@@H]2CCC[N@@H+]2C)CC1 27846430 171046660 /nfs/dbraw/zinc/04/66/60/171046660.db2.gz FPYMUCXYWHQKRC-NSHDSACASA-N 1 3 180.295 1.343 1 0 ADAFHO CN1CC=C([C@@H]2CCC[N@H+]2C)CC1 27846430 171046663 /nfs/dbraw/zinc/04/66/63/171046663.db2.gz FPYMUCXYWHQKRC-NSHDSACASA-N 1 3 180.295 1.343 1 0 ADAFHO CN1CC=C([C@H]2CCC[N@@H+]2C)CC1 27846438 171047043 /nfs/dbraw/zinc/04/70/43/171047043.db2.gz FPYMUCXYWHQKRC-LLVKDONJSA-N 1 3 180.295 1.343 1 0 ADAFHO CN1CC=C([C@H]2CCC[N@H+]2C)CC1 27846438 171047046 /nfs/dbraw/zinc/04/70/46/171047046.db2.gz FPYMUCXYWHQKRC-LLVKDONJSA-N 1 3 180.295 1.343 1 0 ADAFHO