smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC[C@H](C)[NH2+]CCCN ZINC000101172865 384375953 /nfs/dbraw/zinc/37/59/53/384375953.db2.gz UAQKUOHTBRXSJO-AWEZNQCLSA-N 1 3 228.424 3.454 50 30 BGEAHO CCCCCCCCC[C@@H](C)[NH2+]CCCN ZINC000101172866 384376169 /nfs/dbraw/zinc/37/61/69/384376169.db2.gz UAQKUOHTBRXSJO-CQSZACIVSA-N 1 3 228.424 3.454 50 30 BGEAHO