smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C1[N-]C[C@H](CBr)[N+]12CCCC2 ZINC000006303313 717104324 /nfs/dbraw/zinc/10/43/24/717104324.db2.gz NZMBLARSGZUJTC-ZETCQYMHSA-O 0 1 250.185 1.249 10 50 CDGEMN S=C1[N-]C[C@@H](CBr)[N+]12CCCC2 ZINC000006303311 717104739 /nfs/dbraw/zinc/10/47/39/717104739.db2.gz NZMBLARSGZUJTC-SSDOTTSWSA-O 0 1 250.185 1.249 10 50 CDGEMN