smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)CC[N@@H+](C)[C@H](C)c1cccs1 ZINC000441187700 387735137 /nfs/dbraw/zinc/73/51/37/387735137.db2.gz HQPQZLHECSQFST-GFCCVEGCSA-N 1 1 239.428 4.567 20 0 BJADMO CCC(C)(C)CC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000441187701 387736013 /nfs/dbraw/zinc/73/60/13/387736013.db2.gz HQPQZLHECSQFST-LBPRGKRZSA-N 1 1 239.428 4.567 20 0 BJADMO CCCCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000605149759 350258693 /nfs/dbraw/zinc/25/86/93/350258693.db2.gz KPYXZDFQRKYHBS-CYBMUJFWSA-N 1 1 245.366 4.616 20 0 BJADMO CCCCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000605149760 350258175 /nfs/dbraw/zinc/25/81/75/350258175.db2.gz KPYXZDFQRKYHBS-ZDUSSCGKSA-N 1 1 245.366 4.616 20 0 BJADMO CCCC[N@@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000619888197 369625300 /nfs/dbraw/zinc/62/53/00/369625300.db2.gz BZNWFKOEODPSTJ-CYBMUJFWSA-N 1 1 245.366 4.616 20 0 BJADMO CCCC[N@@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000619888198 369625034 /nfs/dbraw/zinc/62/50/34/369625034.db2.gz BZNWFKOEODPSTJ-ZDUSSCGKSA-N 1 1 245.366 4.616 20 0 BJADMO