smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC[N+]12CC[N+](C)(CC1)CC2 ZINC000001631620 717088511 /nfs/dbraw/zinc/08/85/11/717088511.db2.gz NDFJMMSASOAAFR-UHFFFAOYSA-N 2 0 296.543 4.198 1 30 CIEFRP CCCCCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH+]2C)C1 ZINC000043328196 175009949 /nfs/dbraw/zinc/00/99/49/175009949.db2.gz PNOYADQUASQUET-MSOLQXFVSA-N 2 0 280.500 4.153 1 30 CIEFRP CCCCCCCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH+]2C)C1 ZINC000043328195 175010100 /nfs/dbraw/zinc/01/01/00/175010100.db2.gz PNOYADQUASQUET-ROUUACIJSA-N 2 0 280.500 4.153 1 30 CIEFRP CCCCCCCCC[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC000049878198 520028204 /nfs/dbraw/zinc/02/82/04/520028204.db2.gz PDBMQDREULSRRK-UHFFFAOYSA-N 2 0 294.527 4.449 1 30 CIEFRP