smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@@H](OC(=O)CBr)C(=O)[O-] ZINC000238484900 717161864 /nfs/dbraw/zinc/16/18/64/717161864.db2.gz AJJUQEXYWWPMCP-ZCFIWIBFSA-O 0 0 269.115 0.084 10 50 CCGERN C[N+](C)(C)C[C@H](OC(=O)CBr)C(=O)[O-] ZINC000002529295 717095684 /nfs/dbraw/zinc/09/56/84/717095684.db2.gz AJJUQEXYWWPMCP-LURJTMIESA-O 0 0 269.115 0.084 10 50 CCGERN