smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+](Cc1ccccc1)C1CCCC[C@@H]1[N+](=O)Cc1ccccc1 ZINC000002865139 563941141 /nfs/dbraw/zinc/94/11/41/563941141.db2.gz WBADPGXFPLONRV-JINVSNJPSA-N 2 3 322.408 3.556 40 30 DHEBHP O=[N+](Cc1ccccc1)C1CCCC[C@H]1[N+](=O)Cc1ccccc1 ZINC000016037351 526391052 /nfs/dbraw/zinc/39/10/52/526391052.db2.gz WBADPGXFPLONRV-PBVSXRTBSA-N 2 3 322.408 3.556 40 30 DHEBHP