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](O)CN1CCCC1 71785200 343558035 /nfs/dbraw/zinc/55/80/35/343558035.db2.gz HNQDLNHTCKAABT-JTQLQIEISA-N 1 3 187.307 0.149 50 5 ACBAHO C[N+](C)(C)C[C@H](O)CN1CCCC1 71785199 343558050 /nfs/dbraw/zinc/55/80/50/343558050.db2.gz HNQDLNHTCKAABT-SNVBAGLBSA-N 1 3 187.307 0.149 50 5 ACBAHO