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=C(\Br)[C@@H](Br)C[N+](C)(C)C ZINC000001791438 717089739 /nfs/dbraw/zinc/08/97/39/717089739.db2.gz KFHVOPGJUKKXCA-BRNRAETOSA-N 2 0 344.135 2.441 10 50 EEGERP C[N+](C)(C)C/C=C(\Br)[C@H](Br)C[N+](C)(C)C ZINC000001791435 717089884 /nfs/dbraw/zinc/08/98/84/717089884.db2.gz KFHVOPGJUKKXCA-ZJRUKIMVSA-N 2 0 344.135 2.441 10 50 EEGERP